Molecule Name,Smiles,Euclidean Distance,Permeability Value
Bromoform,BrC(Br)Br,0,49.75962937
N-8-mercaptooctanoylthreonine phosphate,P(=O)(O)(O)O[C@@H]([C@H](NC(CCCCCCCS)=O)C(=O)O)C,0,0.957443379
N-6-mercaptohexanoylthreonine phosphate,P(=O)(O)(O)O[C@@H]([C@H](NC(CCCCCS)=O)C(=O)O)C,0,0.983871054
N-7-mercaptoheptanoylthreonine phosphate,P(=O)(O)(O)O[C@@H]([C@H](NC(CCCCCCS)=O)C(=O)O)C,0,1.134988293
N-9-mercaptononanoylthreonine phosphate,P(=O)(O)(O)O[C@@H]([C@H](NC(CCCCCCCCS)=O)C(=O)O)C,0,1.289366093
Pterin B55,NC=1NC(C=2N=C(NC2N1)S)=O,0,1.424831152
Pterin B53,NC1=NC(=C(C(N1)=O)N=O)N,0,1.443698537
Pterin B54,NC=1NC(C(=C(N1)NCCCOC1=CC=C(C(=O)O)C=C1)N=O)=O,0,1.449656393
Rosuvastatin,FC1=CC=C(C=C1)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C(C)C)N(S(=O)(=O)C)C,0,1.218321919
Atorvastatin,FC1=CC=C(C=C1)C=1N(C(=C(C1C1=CC=CC=C1)C(NC1=CC=CC=C1)=O)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O,0,3.045416437
Simvastatin,CC(C(=O)O[C@H]1C[C@H](C=C2C=C[C@@H]([C@@H]([C@@H]12)CC[C@H]1OC(C[C@@H](C1)O)=O)C)C)(CC)C,0,12.58667409
3-Nitrooxypropanol,[N+](=O)([O-])OCCCO,0,13.73478025
2-Nitropropanol,[N+](=O)([O-])C(CO)C,0,18.06111485
3-Nitropropionate,[N+](=O)([O-])CCC(=O)[O-],0,18.79334599
2-Nitroethanol,[N+](=O)([O-])CCO,0,19.3322584
N-5-mercaptopentanoylthreonine phosphate,P(=O)(O)(O)O[C@@H]([C@H](NC(CCCCS)=O)C(=O)O)C,0,1.802589186
"D-Myo-inositol 3,4,5,6-tetrakisphosphate",O[C@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O,0.07901071,0.294476328
4-Nitrophenol,OC1=CC=C(C=C1)[N+]([O-])=O,0.09681137,21.49059922
Not Found,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)NC1=N,0.15629509,7.816381752
Deacetyldiltiazem,COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1O,0.16291767,16.8647036
Thiamine,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N,0.16844133,7.816381752
"3a,16a-Dihydroxyandrostenone",[H][C@@]12C[C@@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,0.20508982,17.46364981
Glucosylceramide (d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,0.20813303,1.994362287
Diaminopimelic acid,N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O,0.41473013,0.464784075
Threonylmethionine,CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O,0.41958413,2.732815593
Epinephrine glucuronide,CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1,0.4662468,0.499802968
Simazine,CCN=C1NC(Cl)=NC(N1)=NCC,0.4738821,6.095563993
Methylarsonate,C[As](O)(O)=O,0.51898617,12.88090646
Bisdiphosphoinositol tetrakisphosphate,[H][C@@]1([C@]([H])([C@]([H])([C@@]([H])([C@]([H])([C@]1([H])P(O)(O)=O)P(O)(=O)OP(O)(O)=O)P(O)(=O)OP(O)(O)=O)P(O)(O)=O)P(O)(O)=O)P(O)(O)=O,0.52296495,0.454258546
Galactosylceramide (d18:1/26:1(17Z)),CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,0.5574345,1.994362287
Dimethylarsinate,C[As](C)(O)=O,0.56671816,25.56232512
5-Hydroxy-6-methoxyindole glucuronide,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2C=CNC2=C1,0.57406247,1.530359313
D-Xylulose,OC[C@@H](O)[C@H](O)C(=O)CO,0.602176,3.107015602
Formebolone,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C=O)=C[C@]12C,0.62942994,12.0009467
Nordihydroguaiaretate,C[C@@H](CC1=CC=C(O)C(O)=C1)[C@@H](C)CC1=CC=C(O)C(O)=C1,0.6630666,8.365730941
Balenine,CN1C=NC(C[C@H](NC(=O)CCN)C(O)=O)=C1,0.67275614,2.779188566
Glycerol 3-phosphate,OC[C@@H](O)COP(O)(O)=O,0.70845866,3.475419804
Tachysterol 3,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])C(=CCC[C@]12C)\C=C\C1=C(C)CC[C@H](O)C1,0.7159286,12.09667772
terbuthylazine,CCN=C1NC(NC(C)(C)C)=NC(Cl)=N1,0.71723795,8.965522051
Nitrophenylphosphate,OP([O-])(=O)OC1=CC=C(C=C1)N(=O)=O,0.7601316,4.183268547
Amoxicillin,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,0.8127548,2.179411426
Threonic acid,OC[C@@H](O)[C@H](O)C(O)=O,0.82146263,1.829526015
Phenylalanylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O,0.83289105,3.538669273
D-Biopterin,C[C@@H](O)[C@@H](O)C1=CNC2=NC(N)=NC(=O)C2=N1,0.8470307,1.544833556
Aldosterone,[H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O,0.88433707,13.62751424
Histidylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC1=CNC=N1)C(O)=O,0.8991047,3.788636997
(S)-Methylmalonic acid semialdehyde,C[C@@H](C=O)C(O)=O,0.900047,19.50669885
4-Nitrophenyl sulfate,OS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,0.9005911,7.95821026
L-Valine,CC(C)[C@H](N)C(O)=O,0.9293139,8.53343457
L-2-Amino-3-oxobutanoic acid,CC(=O)[C@H](N)C(O)=O,0.93205404,6.062131375
3a-Hydroxy-5b-pregnane-20-one,[H][C@]12CCC3C4CC[C@H](C(C)=O)[C@@]4(C)CCC3[C@@]1(C)CC[C@@H](O)C2,0.9430783,22.09049016
N-Nitrosodimethylamine,CN(C)N=O,0.98405635,56.92956448
"N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O,0.9939726,3.096249886
Cyanazine,CCN=C1NC(NC(C)(C)C#N)=NC(Cl)=N1,0.994138,7.658830285
Xanthurenate-8-O-beta-D-glucoside,OC[C@H]1O[C@@H](OC2=C3N=C(C=C(O)C3=CC=C2)C(O)=O)[C@@H](O)[C@@H](O)[C@H]1O,0.9990696,0.529165752
Serylvaline,CC(C)[C@H](NC(=O)[C@@H](N)CO)C(O)=O,1.0149454,2.029083669
Propenoylcarnitine,C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)C=C,1.0320494,29.8089236
Erythritol,OC[C@H](O)[C@H](O)CO,1.0747823,7.31863901
"3a,4b,12a-Trihydroxy-5b-cholanoic acid",C[C@@H](CCC(O)=O)C1CCC2C3CCC4[C@@H](O)[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C,1.0873841,4.317066818
D-Arabitol,OC[C@@H](O)C(O)[C@H](O)CO,1.0965316,2.148172446
desmetryn,CSC1=NC(NC(N1)=NC(C)C)=NC,1.1086495,11.25722528
11-Dehydrocorticosterone,[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,1.124099,16.14528149
D-Xylitol,OC[C@H](O)C(O)[C@H](O)CO,1.1320912,2.148172446
"1b,3a,12a-Trihydroxy-5b-cholanoic acid",C[C@H](CCC(O)=O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@]12C,1.1414465,4.317066818
25-Hydroxytachysterol3,[H]\C(=C(\[H])C1=C(C)CCC[C@@]1([H])O)C1=CCC[C@@]2(C)C1([H])CC[C@]2([H])C([H])(C)CCCC(C)(C)O,1.1423713,9.200339019
10-formyldihydrofolate,NC1=NC2=C(N=C(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,1.1497164,0.522695668
gamma-Aminobutyryllysine,NCCCC[C@H](NC(=O)CCCN)C(O)=O,1.1738932,0.50727115
Topiramate,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2,1.18149,8.477409184
Phenylalanylvaline,CC(C)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O,1.2015132,3.526559472
2-Deoxyribonic acid,OC[C@@H](O)[C@@H](O)CC(O)=O,1.2057033,1.718620025
Val-Pro-Pro,[H][C@](N)(C(C)C)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(O)=O,1.2296233,4.094362259
5-Dehydroavenasterol,C\C=C(/C(C)C)CC[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,1.2408903,8.007636666
dIDP,O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O,1.2591687,1.693396829
Cyanosulfurous acid anion,O[S](O)C#N,1.2761284,11.04606315
"N-Acetylgalactosamine 4,6-disulfate",CC(=O)N[C@H]1C(O)O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1O,1.2785513,1.60270445
2-Phospho-D-glyceric acid,OC[C@@H](OP(O)(O)=O)C(O)=O,1.2909957,2.39902623
Hydroxypropionylcarnitine,C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CCO,1.2957115,9.629092366
4-Hydroxystachydrine,[H]OC1C[C@H](C([O-])=O)[N+](C)(C)C1,1.3047743,11.22865379
D-Threitol,OC[C@@H](O)[C@H](O)CO,1.3206367,7.31863901
Norepinephrine sulfate,NC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1,1.3335314,1.811971143
Epinephrine,CNC[C@H](O)C1=CC(O)=C(O)C=C1,1.3399737,5.685872957
Epinephrine sulfate,CNC[C@H](O)C1=CC(O)=C(OS(O)(=O)=O)C=C1,1.3416717,3.966561705
Norepinephrine,NC[C@H](O)C1=CC(O)=C(O)C=C1,1.3551017,3.882623836
L-Threo-2-pentulose,OC[C@H](O)[C@@H](O)C(=O)CO,1.3553809,3.107015602
Glucosylceramide (d18:1/26:1(17Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,1.3596199,1.994362287
Taurocyamine,NC(N)=NCCS(O)(=O)=O,1.359776,0.475817779
Arginylvaline,CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O,1.3673894,0.510567147
Alanylthreonine,C[C@@H](O)[C@H](NC(=O)[C@H](C)N)C(O)=O,1.376205,2.185772732
Cystathionine ketimine,OC(=O)[C@H]1CCSCC(=N1)C(O)=O,1.3986816,6.50838241
PIP3(16:0/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,1.4058617,1.998317055
Histidylproline,N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(O)=O,1.4063264,2.838254906
L-phenylalanyl-L-proline,N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(O)=O,1.4155931,8.276800811
p-Octopamine,NC[C@H](O)C1=CC=C(O)C=C1,1.4258978,6.206990778
"Cholesta-4,6-dien-3-one",[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,1.4274385,7.248871773
Testosterone enanthate,[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,1.44035,7.252248377
2-Thiouracil,OC1=NC(S)=NC=C1,1.4417568,9.190262109
Trihydroxycoprostanoic acid,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2(C[C@H](O)CC[C@]12C)C(O)=O,1.4432931,5.976944417
Lanosterin,[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,1.4459199,5.970324203
"20a,22b-Dihydroxycholesterol",[H][C@@]12CC[C@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(O)CC[C@]12C,1.4472724,9.177304059
Methyldopa,C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O,1.4519199,1.431437116
N'-Hydroxymethylnorcotinine,OCN1[C@@H](CCC1=O)C1=CN=CC=C1,1.4555618,7.704044133
Dehydroascorbic acid,[H][C@@]1(OC(=O)C(=O)C1=O)[C@H](O)CO,1.4615877,4.831742123
DOPA sulfate,N[C@@H](CC1=CC(OS(O)(=O)=O)=C(O)C=C1)C(O)=O,1.4729037,5.165590346
"7a,12a-Dihydroxy-5b-cholestan-3-one",[H][C@]12CCC(C(C)CCCC(C)C)[C@@]1(C)C([H])(O)C[C@@]1([H])C2[C@H](O)CC2CC(=O)CC[C@]12C,1.4770217,9.929630905
Cholest-5-ene,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CCCC[C@]12C,1.4904085,9.467766434
PIP(18:1(11Z)/16:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,1.5008444,1.696156338
Topaquinone,N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(O)=O,1.504469,1.919956133
Valylglutamic acid,CC(C)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O,1.5221225,1.189366449
Dopaquinone,N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O,1.5318614,3.409979865
LysoSM(d18:0),CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP([O-])(=O)OCC[N+](C)(C)C,1.5411818,4.229100049
Glycochenodeoxycholate-3-sulfate,[H][C@@](C)(CCC(O)=NCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C([H])(O)C[C@]4([H])C[C@@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O,1.5428485,3.096249886
CerP(d18:1/12:0),CCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCC,1.543138,4.401216656
Arginine vasopressin 1-8,NC1CSSC[C@H](NC(=O)C(CC(O)=N)NC(=O)[C@@H](CCC(O)=N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(O)=O,1.5523717,0.795845222
Beta-D-Fructose 2-phosphate,OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O,1.5549376,0.469451817
21-Hydroxypregnenolone,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,1.5556661,15.4784739
Dolichyl phosphate D-mannose,OC[C@H]1O[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,1.5572569,0.456651207
L-Phenylalanine,N[C@@H](CC1=CC=CC=C1)C(O)=O,1.5598046,9.371256083
L-Tyrosine,N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,1.561334,7.431748509
L-Histidinol,N[C@H](CO)CC1=CNC=N1,1.5703363,5.048638955
N10-Formyl-THF,NC1=NC(=O)C2=C(NCC(CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1,1.5794073,0.367632415
Paraxanthine,CN1C=NC2=C1C(=O)N(C)C(=O)N2,1.5915238,7.690437883
Valyltyrosine,CC(C)[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,1.595265,3.396306932
"3a,16-Dihydroxyandrostenone",[H][C@@]12CC(O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,1.6020705,17.46364981
D-Ribulose,OC[C@@H](O)[C@@H](O)C(=O)CO,1.6051633,3.107015602
L-Dopa,N[C@@H](CC1=CC=C(O)C(O)=C1)C(O)=O,1.6137745,1.769815572
5-Methyldihydrofolic acid,CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CNC2=C1C(=O)N=C(N)N2,1.6141342,0.365148811
"4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol",[H][C@@]12CCC([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)(C)[C@@H](O)CC[C@]12C,1.6177967,8.547807485
3-Sulfinoalanine,N[C@@H](CS(O)=O)C(O)=O,1.624477,2.264931239
5alpha-Cholestanol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,1.6282309,15.96878171
S-Lactoylglutathione,C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,1.6284499,0.185504439
Phosphoserine,N[C@@H](COP(O)(O)=O)C(O)=O,1.6326405,0.817175675
Prostaglandin F2a,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O,1.6383649,5.244977027
Guggulsterone,[H][C@@]12CC(=O)\C(=C(/C)OC)[C@@]1(C)CC[C@]1([H])[C@]2([H])CCC2=CC(=O)CC[C@]12C,1.6400498,11.04795635
Ganglioside GA2 (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,1.6459702,3.311331198
L-Glutamic acid,N[C@@H](CCC(O)=O)C(O)=O,1.6549125,1.232372411
5'-Hydroxycotinine,CN1C(=O)CC[C@@]1(O)C1=CN=CC=C1,1.6556545,9.298286587
"2,4,7,10,13,16,19-Docosaheptaenoyl-CoA",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N,1.6605983,3.40930596
Valylasparagine,CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O,1.6686069,0.625464972
L-Tryptophan,N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,1.6743629,9.306182712
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,C[NH2+]C(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O,1.6821839,1.916573197
Neuromedin B,CSCC[C@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)=N)NC(=O)CN)[C@@H](C)O)C(O)=N,1.6844654,0.916420296
Orinapterin,C[C@H](O)[C@@H](O)C1=NC2=C(NC(N)=NC2=O)N=C1,1.6920649,1.544833556
D-Erythrose 4-phosphate,O[C@H](COP(O)(O)=O)[C@@H](O)C=O,1.7017056,2.712060884
L-Aspartic acid,N[C@@H](CC(O)=O)C(O)=O,1.706948,1.916220039
Taurocholic acid 3-sulfate,[H][C@]12C[C@@H](O)C3C4CCC([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)[C@@H](O)CC3[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O,1.7072855,1.720072143
L-Cystine,N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O,1.7094283,0.510433875
3-O-Sulfogalactosylceramide (d18:1/24:0),[H][C@@](CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(O)(=O)=O)C1O)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,1.7104998,1.558704115
6-Sialyl-N-acetyllactosamine,[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,1.71109,0.417395728
Iodotyrosine,N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O,1.7154105,5.780201405
atraton,CCN=C1NC(NC(OC)=N1)=NC(C)C,1.7172706,7.686016709
Adrenosterone,[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,1.7239342,24.83188957
D-Mannose 1-phosphate,OC[C@H]1O[C@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,1.7310878,0.456651207
Valylaspartic acid,CC(C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O,1.7333361,2.571021393
18:2 Cholesteryl ester,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],1.7354083,2.080537379
Valylarginine,CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,1.7389132,0.605092803
Valylglutamine,CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O,1.7390704,0.29051071
CE(20:1),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],1.7418236,2.11558342
Glutaminylvaline,CC(C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O,1.751178,0.29051071
8-Oxo-dGMP,[H][C@]1(O)C[C@]([H])(OC1([H])COP(O)(O)=O)N1C(O)=NC2=C1NC(=N)N=C2O,1.753196,0.619904138
Salicin,OC[C@H]1O[C@@H](OC2=C(CO)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O,1.75558,2.231677249
S-Formylglutathione,N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O,1.7590901,0.264900574
Neuromedin C 1-8,CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@@H](CC1=CNC=N1)NC(=O)[C@@H](CC(O)=N)NC(=O)CN)C(=O)NCC(=O)N[C@H](CC1=CNC=N1)C(O)=N,1.7698661,0.759194372
2-(3-Carboxy-3-aminopropyl)-L-histidine,NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O,1.7834786,1.253814623
Threonylarginine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,1.7836448,0.374165317
Maslinic acid,[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,1.783874,5.297805369
4-Deoxythreonic acid,C[C@@H](O)[C@H](O)C(O)=O,1.7909791,6.165831164
dADP,[H][C@]1(O)C[C@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,1.7921602,1.324283145
Taurallocholic acid,[H][C@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O,1.7952908,2.953352034
Oleoylcarnitine,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(CCC([O-])=O)[N+](C)(C)C,1.7959207,7.803755999
beta-Zearalenol,C[C@@H]1CCC[C@H](O)CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1,1.7989284,8.178959787
19-Hydroxytestosterone,[H][C@]1(O)CCC2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(CO)[C@@]3([H])CC[C@]12C,1.8035722,15.22438824
Seryllysine,NCCCC[C@H](NC(=O)[C@@H](N)CO)C(O)=O,1.8137455,0.505816238
2-Thiothiazolidine-4-carboxylic acid,[H][C@]1(CSC(S)=N1)C(O)=O,1.8181344,16.08503759
Diketogulonic acid,OC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O,1.8285093,1.594317704
3-Methylglutarylcarnitine,C[C@H](CC(O)=O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,1.8326769,9.062509239
Folic acid,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1,1.8380435,0.626631361
Dihydrofolic acid,NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=N2)N1,1.8437611,0.532133877
Phenylglucuronide,O[C@@H]1[C@@H](O)C(OC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,1.8460969,3.200790286
"13,14-Dihydro-15-keto-PGE2",CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,1.8884811,8.936814219
Inosinic acid,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O,1.9053613,0.730835134
Pretyrosine,[H][C@](N)(CC1(C=CC([H])(O)C=C1)C(O)=O)C(O)=O,1.9150854,1.016074978
1-Methylhistidine,CN1C=NC(C[C@H](N)C(O)=O)=C1,1.9151709,6.16922155
3-Nitrotyrosine,N[C@@H](CC1=CC=C(O)C(=C1)[N+]([O-])=O)C(O)=O,1.9169518,2.354585566
Valylvaline,CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O,1.9196688,2.53069941
Sulfolithocholylglycine,C[C@H](CCC(=O)NCC(O)=O)C1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)OS(O)(=O)=O,1.9214787,2.923284844
"(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid",CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,1.9294692,8.047202229
L-Kynurenine,N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O,1.9345738,2.050693333
N-methyl-L-glutamic Acid,[H][C@@](CCC(O)=O)(NC)C(O)=O,1.9390732,2.900635079
Ursocholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,1.9431975,4.317066818
Enterodiol,OC[C@H](CC1=CC(O)=CC=C1)[C@H](CO)CC1=CC(O)=CC=C1,1.9451059,7.366324216
Glutamylalanine,C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,1.9553964,1.55956028
D-Tryptophan,N[C@H](CC1=CNC2=C1C=CC=C2)C(O)=O,1.9558545,9.306182712
3-Aminosalicylic acid,NC1=CC=CC(C(O)=O)=C1O,1.9573097,5.44026345
dIMP,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2=C1NC=NC2=O,1.9660213,1.836267859
Glycyl-Arginine,NCC(O)=NC(CCCNC(N)=N)C(O)=O,1.9683831,0.492570689
17-beta-estradiol-3-glucuronide,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3,1.9698522,2.018657885
Prephenate,O[C@H]1C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O,1.9703358,1.835827157
"(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid",[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,1.9710559,0.823224802
Cysteineglutathione disulfide,N[C@@H](CCC(=O)N[C@@H](CSSCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O,1.9752373,0.234876852
Tetracycline,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,1.9789909,0.816721842
"3a,7a,12a-Trihydroxy-5b-cholestanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC[C@@H](C)C(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,1.9876424,5.308549106
Zymosterol intermediate 2,[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3,1.9891768,17.45057553
Dihydroceramide,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC=O,1.9918829,11.605113
L-3-Hydroxykynurenine,N[C@@H](CC(=O)C1=CC=CC(O)=C1N)C(O)=O,2.0043123,1.181778684
Alanylvaline,CC(C)[C@H](NC(=O)[C@H](C)N)C(O)=O,2.0043426,3.465901315
Dihydrozeatin,C[C@H](CO)CCNC1=C2N=CN=C2N=CN1,2.0134382,8.315096796
GDP-D-Rhamnose,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O,2.0143578,0.507057318
Threonylglycine,C[C@@H](O)[C@H](N)C(=O)NCC(O)=O,2.0206234,1.584648527
Valylproline,CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O,2.0273063,6.364905834
3'-O-Methylguanosine,CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1NC(N)=NC2=O,2.0320415,1.670056395
Lithocholyltaurine,C[C@H](CCC(=O)NCCS(O)(=O)=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C,2.0362198,2.816818282
8-iso-15-keto-PGF2a,CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O,2.040512,7.554240525
15-Keto-prostaglandin F2a,CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,2.0409575,7.554240525
3-Hydroxyquinine,[H][C@]12CCN(C[C@]1(O)C=C)[C@@]([H])(C2)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12,2.0413082,11.36867702
PIP3(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,2.0420375,1.998317055
"Inosine 2',3'-cyclic phosphate",OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=NC2=C1NC=NC2=O,2.047128,1.388116274
Prostaglandin J2,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O,2.056209,13.12562972
Cortisol 21-sulfate,[H][C@@]12CC[C@](O)(C(=O)COS(O)(=O)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,2.0707262,2.463728376
1D-myo-Inositol 3-phosphate,OC1[C@H](O)[C@H](O)C(OP(O)(O)=O)[C@@H](O)[C@@H]1O,2.0824883,0.440196833
Valylmethionine,CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O,2.0952158,1.315411087
Brassicasterol,[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,2.0971935,11.03615314
CerP(d18:0/16:0),[H][C@@](O)(CCCCCCCCCCCCCCC)[C@]([H])(COP(O)(O)=O)NC(=O)CCCCCCCCCCCCCCC,2.1011221,4.401216656
Alanylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(O)=O,2.1019697,2.6167579
Valylserine,CC(C)[C@H](N)C(=O)N[C@@H](CO)C(O)=O,2.1026897,2.029083669
PIP2(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,2.102799,2.346755937
20-Hydroxy-PGE2,OCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,2.1049335,2.193693444
Flavin Mononucleotide,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2,2.1064503,0.436294964
11-Dehydro-thromboxane B2,CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C\CCCC(O)=O,2.1092772,4.904450849
"rac-5,6-Epoxy-retinoyl-beta-D-glucuronide",C\C(\C=C\[C@]12O[C@]1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,2.1126497,1.130165718
Prostaglandin E2,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,2.1127155,7.561963797
"2,3-Dinor-TXB2",CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CC(O)=O,2.1199822,4.791728407
Prostaglandin D3,CC\C=C/C[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O,2.1210825,6.095204875
Ganglioside GM3 (d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC\C=C/CCCCCCCCC,2.1255007,2.674788423
Serylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(O)=O,2.1259685,2.376456745
"Adenosine 2',3'-cyclic phosphate",[H]C1(CO)O[C@]([H])(N2C=NC3=C(N)N=CN=C23)C2([H])OP(O)(=O)OC12[H],2.127076,0.928129721
Leukotriene C4,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,2.132961,1.121462137
Thromboxane B2,CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,2.1359408,6.120738387
"2,4-Dihydroxy-nitrophenol",OC1=CC(O)=C(C=C1)[N+]([O-])=O,2.1379704,15.62111974
Ganglioside GM3 (d18:1/22:1(13Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,2.1402137,2.674788423
11-trans-Leukotriene C4,CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,2.140431,1.121462137
Ketoprofen glucuronide,CC(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,2.1411176,1.12093119
8-isoprostaglandin E2,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O,2.142832,7.561963797
5-Diphosphomevalonic acid,C[C@@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O,2.14433,1.051921584
Menatetrenone,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C,2.1483264,5.692420155
O-Phosphotyrosine,N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O,2.160635,2.369814925
Androsterone sulfate,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O,2.1628754,12.55529821
"S-(9-deoxy-delta9,12-PGD2)-glutathione",CCCCC[C@H](O)C\C=C1/[C@H](C\C=C/CCCC(O)=O)C(CC1=O)SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,2.1637802,0.729534915
Indolelactic acid,O[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,2.1652844,12.33735532
Arginylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O,2.1712482,0.305046863
Queuosine,[H][C@]1(O)C=C[C@]([H])(NCC2=CN(C3=C2C(O)=NC(=N)N3)[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]2([H])O)[C@@]1([H])O,2.1727235,0.478720013
3-Indole carboxylic acid glucuronide,O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CNC3=CC=CC=C23)OC([C@H]1O)C(O)=O,2.1757164,1.247278973
L-Carnitine,C[N+](C)(C)C[C@H](O)CC([O-])=O,2.1794043,18.33944917
Phosphoguanidinoacetate,N\C(NP(O)(O)=O)=N/CC(O)=O,2.2007115,0.355749181
"5-Androstene-3b,16b,17a-triol",[H][C@@]12C[C@H](O)[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,2.2024176,7.524005324
Indolylacryloylglycine,[H]\C(=C(\[H])C1=CNC2=CC=CC=C12)C(O)=NCC(O)=O,2.2029989,11.55928895
Testosterone sulfate,[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,2.2052808,14.33054507
Phenylalanylglycine,N[C@@H](CC1=CC=CC=C1)C(=O)NCC(O)=O,2.207723,3.543699533
"Cytidine 2',3'-cyclic phosphate",NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12,2.2141416,1.983718388
Riboflavin reduced,OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C12,2.214618,1.335209515
Prostaglandin E3,CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,2.2247524,6.095204875
8-Isoprostane,[H][C@@]1(CCCCCCC)CCC[C@]1([H])CCCCCCCC,2.2283573,11.97532713
Estrone sulfate,C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(O)(=O)=O)=C4)[C@@H]1CCC2=O,2.2354028,15.31621814
4-hydroxybenzoyl-CoA,[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)C1=CC=C(O)C=C1)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@]1([H])OP(O)(O)=O,2.2451127,1.118992455
"3a,7a-Dihydroxycoprostanic acid",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C(O)=O,2.245883,4.625569284
Cortolone-3-glucuronide,CC12CC(=O)C3C(CCC4CCC(CC34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C1CCC2(O)C(O)CO,2.2629921,0.537185604
Allolithocholic acid,C[C@@H](CCC(O)=O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C,2.277382,10.66640168
Nicotinamide N-oxide,NC(=O)C1=C[N+]([O-])=CC=C1,2.279751,13.83243799
Ecgonine methyl ester,COC(=O)[C@@H]1C2CCC(C[C@@H]1O)N2C,2.292324,14.56267983
Vitamin D2 3-glucuronide,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CCC2\C(CCC[C@]12C)=C\C=C1/CC(CCC1=C)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O,2.3036253,1.666279323
N-Acetyl-S-(N-methylcarbamoyl)cysteine,[H][C@@](CSC(O)=NC)(N=C(C)O)C(O)=O,2.306003,2.297619544
"2b,3a,7a-Trihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)[C@@H](O)C[C@]12C,2.3062754,4.077769443
Dopachrome o-semiquinone,[O]C1=C(O)C=C2N[C@H](CC2=C1)C(O)=O,2.3079386,4.317707568
Chorismate,O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O,2.3127437,3.426056728
NADH,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,2.3171148,0.994381309
Valylthreonine,CC(C)[C@H](N)C(=O)N[C@@H](C(C)O)C(O)=O,2.337451,2.736881934
Morphinone,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@H](C4)[C@]1([H])C=CC2=O,2.3448982,23.01943004
Galactosylceramide (d18:1/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,2.3510585,2.019247785
Galactosylceramide (d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,2.35377,2.449155413
Galactosylceramide (d18:1/16:0),CCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,2.3574176,2.59931162
Leucylalanine,CC(C)C[C@H](N)C(=O)N[C@@H](C)C(O)=O,2.3589144,2.758788876
Galactosylceramide (d18:1/20:0),CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,2.3590863,2.019247785
Trimethylamine N-oxide,C[N+](C)(C)[O-],2.3605208,33.02007914
Thromboxane,CCCCCCCC[C@H]1OCCC[C@@H]1CCCCCCC,2.3636508,12.91320771
Leucylphenylalanine,CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,2.3688736,2.621006779
18:1 Cholesteryl ester,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],2.3694646,2.080537379
Deoxyuridine,OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O,2.3838656,3.662983328
Arginylglycine,N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O,2.3884141,0.353882648
Deoxyhypusine,NCCCCNCCCC[C@H](N)C(O)=O,2.3924518,0.435017562
4-Hydroxyestrone-2-S-glutathione,C[C@]12CCC3C(CCC4=C3C=C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(O)=C4O)C1CCC2=O,2.3950644,0.665672543
2-Hydroxyestrone-4-S-glutathione,C[C@]12CCC3C(CCC4=C3C=C(O)C(O)=C4SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C1CCC2=O,2.4089801,0.665672543
2-Hydroxyestrone-1-S-glutathione,C[C@]12CCC3C(CCC4=C3C(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)=C(O)C(O)=C4)C1CCC2=O,2.4145288,0.665672543
"CE(20:4(8Z,11Z,14Z,17Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,2.4188309,2.193001658
Glutaminylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O,2.4214506,0.465713441
Theaflavin,O[C@@H]1CC2=C(O[C@@H]1C1=CC3=C(C(O)=C1O)C(=O)C(O)=CC(=C3)[C@H]1OC3=C(C[C@H]1O)C(O)=CC(O)=C3)C=C(O)C=C2O,2.4223976,0.396829564
"chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a",NNC(O)=NC1=CC=CC=C1,2.4229937,4.592071846
Pseudouridine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O,2.4295874,1.648243517
GDP-4-Dehydro-6-deoxy-D-mannose,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@@H](O)C1=O,2.4321856,0.428991346
"4,6-Dideoxy-4-oxo-dTDP-D-glucose",C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)C1=O,2.4381113,0.81287995
Valylphenylalanine,CC(C)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,2.4384184,3.526559472
7a-Hydroxytestosterone,C[C@]12CCC3C(CCC4=C(O)C(=O)CC[C@]34C)C1CC[C@@H]2O,2.439554,17.39766747
PIP3(16:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,2.4403682,1.887632906
Orotidine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C(=O)NC(=O)C=C1C(O)=O,2.4435759,1.308078691
3-Methylguanine,CN1C2=C(NC=N2)C(=O)N=C1N,2.444154,4.729958996
Asparaginylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(O)=O,2.445007,0.361961313
Methyl jasmonate,[H]\C(CC)=C(/[H])C[C@]1([H])C(=O)CC[C@@]1([H])CC(=O)OC,2.4452963,34.04918313
3'-Sialyl-3-fucosyllactose,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)C=O,2.4468253,0.647935132
"Ribose 1,5-bisphosphate",O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]1COP(O)(O)=O,2.4513853,0.604746584
Acetylcarnosine,CC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(O)=O,2.4537635,3.388624266
Pseudouridine 5'-phosphate,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O,2.4538558,0.650373567
Heparan sulfate,CO[C@@H]1O[C@@H](COS(O)(=O)=O)[C@H](O[C@@H]2O[C@@H]([C@H](OC)[C@@H](O)[C@@H]2OS(O)(=O)=O)C(O)=O)[C@@H](O)[C@@H]1NOS(O)(=O)=O,2.4588733,0.688828155
5(6)-Epoxy Prostaglandin E1,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1CC1OC1CCCC(O)=O,2.4598765,3.88542898
Phosphoribosylformylglycineamidine,O[C@H]1[C@@H](O)[C@H](NC(=N)CNC=O)O[C@@H]1COP(O)(O)=O,2.4656243,0.543671241
beta-Alanyl-L-arginine,[H][C@@](CCCNC(N)=N)(N=C(O)CCN)C(O)=O,2.4695978,0.500329677
Uridine 5'-monophosphate,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,2.4701843,1.392108109
Deuteroporphyrin IX,CC1=C/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(C=C4C)\C=C\1/N\2)/C(CCC(O)=O)=C3C,2.4742422,3.438287228
"3,17-Androstanediol glucuronide",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,2.4769757,2.124422975
Coproporphyrin I,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3C,2.4775567,0.914988387
Coproporphyrin III,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C,2.4832478,0.914988387
Coproporphyrin IV,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C,2.4840152,0.914988387
Coproporphyrin II,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(C)=C3CCC(O)=O,2.4850328,0.914988387
Hexacarboxylporphyrin III,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4CC(O)=O)/C(CC(O)=O)=C3CCC(O)=O,2.4862492,1.996331848
Hexacarboxylporphyrin I,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CC(O)=O)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3CC(O)=O,2.4869916,1.971032657
Mesoporphyrin IX,CCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C,2.4899173,2.933387831
Pentacarboxylporphyrin I,CC1=C(CCC(O)=O)/C2=C/C3=C(CCC(O)=O)C(CC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(C)=C3CCC(O)=O,2.4903753,1.061747223
Campest-4-en-3-one,CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,2.490566,5.114209652
Tannin,O[C@@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]1[C@@H]2O,2.4915311,0.218198844
2-Hydroxy-3-methylpentanoic acid,CC[C@@H](C)[C@@H](O)C(O)=O,2.4926023,18.063429
Dehydroisocoproporphyrinogen,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4C=C)/C(CC(O)=O)=C3CCC(O)=O,2.4928827,0.889378227
Aerobactin,CC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(C)=O)C(O)=O)C(O)=O)C(O)=O,2.4955013,0.196896959
Theaflavin-3-gallate,O[C@@H]1CC2=C(O[C@@H]1C1=CC3=C(C(O)=C(O)C(=C3)[C@H]3OC4=C(C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=CC(O)=C4)C(=O)C(O)=C1)C=C(O)C=C2O,2.4969926,0.467088725
L-gamma-glutamyl-L-isoleucine,CC[C@H](C)[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,2.4998703,0.960002281
"27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(C)O,2.5005064,4.55897674
4-Nitrocatechol,OC1=C(O)C=C(C=C1)[N+]([O-])=O,2.5021598,14.23745006
Sialyllacto-N-tetraose b,CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O,2.505167,0.568825705
Isocoproporphyrin,CCC1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)/C(CCC(O)=O)=C3C,2.5106025,1.145237405
Protoporphyrin IX,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O,2.5108056,3.225203231
Cysteinylglycine,N[C@@H](CS)C(=O)NCC(O)=O,2.5162914,1.919372752
Dethiobiotin,[H][C@@]1(C)NC(=O)N[C@]1([H])CCCCCC(O)=O,2.5184472,6.500187516
O-Succinyl-L-homoserine,N[C@@H](CCOC(=O)CCC(O)=O)C(O)=O,2.5189734,1.492803544
Valylhydroxyproline,CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,2.5197666,3.976147249
Trihexosylceramide (d18:1/12:0),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,2.5199132,2.019263431
LysoPC(O-18:0),CCCCCCCCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,2.52112,4.08462733
Uridine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,2.5242949,3.413408995
Glutarylcarnitine,C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)CCCC(O)=O,2.5259085,10.05373299
N-Acetylneuraminic acid,[H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,2.533029,0.61948197
Nicotine-1'-N-oxide,C[N+]1([O-])CCCC1C1=CN=CC=C1,2.5374072,33.54988992
Estradiol-17alpha 3-D-glucuronoside,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3,2.5380363,2.018657885
Leucylhydroxyproline,CC(C)C[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,2.5414646,3.957629204
L-Isoleucine,CC[C@H](C)[C@H](N)C(O)=O,2.547272,8.53343457
Dynorphin A (6-8),CC[C@@H](C)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(O)=O,2.5501735,0.133309851
N-Acetyl-a-neuraminic acid,[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,2.5642238,0.61948197
"Uridine 2',3'-cyclic phosphate",OC[C@H]1O[C@H]([C@@H]2OP(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O,2.5662096,2.175992168
Estriol,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,2.5832398,10.70227399
"3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA",CC(C)C(=C)CC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,2.5906513,1.155683305
Kinetin,C(NC1=NC=NC2=C1NC=N2)C1=CC=CO1,2.5934834,8.990393579
Boldenone 17-glucuronide,[H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,2.5953224,2.45266147
Prostaglandin E1,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,2.5960672,6.841541082
Prostaglandin F1a,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O,2.599368,4.996728525
Thyrotropin-releasing factor,[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O,2.6027768,0.811183639
8-Hydroxy-7-methylguanine,CN1C(=O)NC2=C1C(=O)N=C(N)N2,2.6035192,2.652518079
"5,6-Dihydrouridine",OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O,2.604795,2.138000913
Salsolinol 1-carboxylate,C[C@@]1(NCCC2=C1C=C(O)C(O)=C2)C(O)=O,2.605467,3.315685317
4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C)[C@@H](O)CC[C@]12C,2.6123743,9.430518746
S-(Hydroxymethyl)glutathione,N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O,2.6217718,0.134057645
4-hydroxyestradiol,C[C@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CC[C@@H]2O,2.6299274,10.84367558
"2,3-Dinor-6-keto-prostaglandin F1 a",CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CC(=O)CCC(O)=O,2.6496825,1.783553138
Mevalonic acid-5P,C[C@@](O)(CCOP(O)(O)=O)CC(O)=O,2.6558933,1.95952598
Norophthalmic acid,C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,2.6692665,0.316761341
Arginylthreonine,C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O,2.6700978,0.328355678
Tetrahydrogestrinone,[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],2.671462,18.45764667
Lysylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O,2.6744204,0.314791361
Seryltyrosine,N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,2.6762068,1.2564932
3-Isopropylmalate,CC(C)[C@@H]([C@@H](O)C(O)=O)C(O)=O,2.6781142,2.242384665
L-Urobilinogen,[H][C@@]1(CC2=C(C)C(CCC(O)=O)=C(CC3=C(CCC(O)=O)C(C)=C(C[C@]4([H])NC(=O)[C@H](C)[C@H]4CC)N3)N2)NC(=O)[C@H](CC)[C@H]1C,2.6805127,1.113087218
Histidylproline diketopiperazine,[H][C@@]12CCCCN1C(=O)[C@H](CC1=CN=CN1)NC2=O,2.6883237,9.712478518
Phenethylamine glucuronide,O[C@@H]1[C@@H](O)[C@H](NCCC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,2.7030883,3.802989051
Methylimidazole acetaldehyde,CN1C=NC(CC=O)=C1,2.713793,23.87210727
"2,3-Diketo-L-gulonate",[H][C@](O)(CO)[C@]([H])(O)C(=O)C(=O)C(O)=O,2.7201028,1.594317704
Deoxycholic acid 3-glucuronide,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,2.7258575,0.693408912
3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@]2([H])[C@]1(C)CC[C@H](O)[C@@]2(C)C(O)=O,2.7261763,3.75969857
Withanolide,[H]C12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)(O)[C@@]5([H])CC(C)=C(C)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]3(C)C(=O)C=C[C@]([H])(O)[C@@]13O2,2.7284381,3.774887696
Valylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O,2.728693,2.072050422
Valylhistidine,CC(C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O,2.733271,3.278220445
Histidylvaline,CC(C)[C@H](NC(=O)[C@@H](N)CC1=CNC=N1)C(O)=O,2.733513,2.501392365
3-Sialyl-N-acetyllactosamine,[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(NC(C)=O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,2.7537599,0.417395728
Vanillylmandelic acid,COC1=C(O)C=CC(=C1)[C@H](O)C(O)=O,2.7567754,4.93966639
Deoxythymidine diphosphate-l-rhamnose,C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O,2.7624974,0.913127698
Serylphenylalanine,N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,2.785399,3.020033054
Angiotensin II,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,2.7896342,0.50496948
Malonylcarnitine,C[N+](C)(C)C[C@H](CC([O-])=O)OC(=O)CC(O)=O,2.7902043,7.898831367
"2,3-Diphosphoglyceric acid",OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O,2.8088343,1.05260089
Dynorphin B,CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O,2.8168736,0.762094511
Histidylglycine,N[C@@H](CC1=CNC=N1)C(=O)NCC(O)=O,2.8176794,1.597495191
Lysylleucine,CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O,2.8194025,0.213256734
19-Hydroxy-PGE2,C[C@@H](O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,2.8198416,1.763777621
1-Deoxy-D-xylulose 5-phosphate,CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,2.821508,3.583665192
Valyltryptophan,CC(C)[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,2.8263514,5.341051519
Valylcysteine,CC(C)[C@H](N)C(=O)N[C@@H](CS)C(O)=O,2.8362172,2.10281387
4alpha-formyl-5alpha-cholesta-8-en-3beta-ol,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C=O)C1CC3,2.8370438,11.07654572
Coprocholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C(O)=O,2.8554718,5.308549106
"1,4-Dithiothreitol",O[C@@H](CS)[C@@H](O)CS,2.8561606,15.24766684
Phenylalanylphenylalanine,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,2.857385,5.147743598
"5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide",COC1=C(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C=C(CC2CCC(=O)O2)C=C1,2.8588812,1.917510666
"17a,21-Dihydroxypreg-nenolone",[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,2.870346,8.072783798
"3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid",C[C@@H](O)[C@H](C)C(O)=O,2.8733876,15.41394442
Tiglyl-CoA,C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,2.8750434,0.921700802
Bilirubin diglucuronide,[H]\C(C1=C(C)C(CCC(=O)O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)=C(CC2=C(CCC(=O)O[C@]3([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)C(C)=C(N2)C(\[H])=C2/N=C(O)C(C)=C2C=C)N1)=C1/N=C(O)C(C=C)=C1C,2.8794575,1.33898994
4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)C1CC3,2.8800364,10.33624709
Glucosylceramide (d18:1/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,2.882671,2.019247785
5a-Tetrahydrocorticosterone,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,2.8842893,9.876513481
"4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol",CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC3,2.8908904,7.406841218
Apelin-13,CSCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O,2.8912375,0.786990672
17-beta-estradiol glucuronide,C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,2.8917103,2.186701447
"4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol",CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)C1CC3,2.8930593,7.937330008
L-Serine,N[C@@H](CO)C(O)=O,2.896907,4.463632405
"P1,P4-Bis(5'-uridyl) tetraphosphate",O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O,2.9026592,0.703917071
5'-Phosphoribosyl-N-formylglycinamide,O[C@H]1[C@@H](O)[C@H](NC(=O)CNC=O)O[C@@H]1COP(O)(O)=O,2.9035974,0.577698927
4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@H](C1CC3)C(O)=O,2.9074986,5.799615383
4-(Glutamylamino) butanoate,N[C@@H](CCC(=O)NCCCC(O)=O)C(O)=O,2.9166217,1.116562355
Xylulose 5-phosphate,OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,2.925278,1.280501951
Isovaleryl-CoA,CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,2.934013,0.368049601
Leukotriene D5,CC\C=C/C\C=C/C\C=C/C=C/C=C/[C@H](SC[C@H](N)C(=O)NCC(O)=O)[C@H](O)CCCC(O)=O,2.936228,0.525163487
Triterpenoid,[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(COS(O)(=O)=O)[C@]3([H])CC[C@@]12C)C(O)=O,2.9414275,2.194906771
Ergothioneine,C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C([O-])=O,2.9447541,7.78734237
Erythronic acid,OC[C@@H](O)[C@@H](O)C(O)=O,2.9464724,1.829526015
Tetracosanoyl-CoA,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,2.949795,1.499804109
(N-acetylneuraminosyl(a2-6)lactosamine),[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,2.953749,0.417395728
17-Epiestriol,C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1C[C@@H](O)[C@H]2O,2.9554276,10.70227399
N1-Methyl-2-pyridone-5-carboxamide,CN1C=C(C=CC1=O)C(N)=O,2.955543,15.25666118
"3b,17b-Dihydroxyetiocholane",C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O,2.9671137,15.68697095
2-Methylhexanoyl-CoA,CCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,2.9715667,0.930123776
16-Oxoandrostenediol,C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC(=O)[C@@H]2O,2.9746974,14.30632919
3-Oxooctanoyl-CoA,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,2.9747417,1.146869455
"3b,17a-Dihydroxy-5a-androstane",C[C@]12CCC3C(CCC4C[C@@H](O)CC[C@]34C)C1CC[C@H]2O,2.975979,15.68697095
"3a,17a-Dihydroxy-5b-androstane",C[C@]12CCC3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@H]2O,2.9831815,15.68697095
20-Hydroxy-PGF2a,OCCCCC[C@H](O)\C=C\C1[C@H](O)C[C@H](O)C1C\C=C/CCCC(O)=O,2.988777,1.118487958
Isoleucylhydroxyproline,CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,2.9900894,3.957629204
Leu-Leu-Tyr,[H][C@](N)(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=O,2.990398,0.680990797
3-Oxohexadecanoyl-CoA,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,2.9904995,2.474795654
3-Hydroxyisovaleryl-CoA,CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,2.9910648,0.635834038
Mannitol 1-phosphate,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,2.9912024,0.190527143
3-Oxododecanoyl-CoA,CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,2.9940994,1.510656811
2-Methylbutyryl-CoA,CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,2.9967716,0.700008078
3-Oxodecanoyl-CoA,CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,2.9994483,1.139798202
4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(C1CC3)C(O)=O,3.014635,4.215067253
L-Alloisoleucine,CC[C@@H](C)[C@H](N)C(O)=O,3.021436,8.53343457
Lipoyl-GMP,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(NC(=O)CCCCC1CCSS1)NC2=O,3.039732,0.498401513
"3,5-Diiodo-L-tyrosine",[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O,3.0411835,5.690743029
Imidazole,N1C=CN=C1,3.0416267,34.71726179
(22Alpha)-hydroxy-5alpha-campestan-3-one,[H][C@@]12CCC3C4CCC([C@H](C)[C@@H](O)C[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2,3.044698,9.498530626
Pentanoyl-CoA,CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.0553033,0.480388198
Methacrylyl-CoA,CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.0641098,0.484611047
6-Ketoestriol,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(C=C(O)C=C3)C(=O)C[C@@]21[H],3.0656927,10.98622307
Heptanoyl-CoA,CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.0680342,0.994605105
Nonanoyl-CoA,CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.071716,0.936742686
Glycerophosphocholine,C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](O)CO,3.0726001,4.795768857
Propionyl-CoA,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.077313,0.34543348
Undecanoyl-CoA,CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.081888,1.243919041
Serylhistidine,N[C@@H](CO)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O,3.0842924,1.255891006
Tridecanoyl-CoA,CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.0856931,1.243919041
Tetradecanoyl-CoA,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.090745,2.058078721
Glutamylglycine,N[C@@H](CCC(O)=O)C(=O)NCC(O)=O,3.09276,0.926199555
3-Oxohexanoyl-CoA,CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.0962975,0.952433608
15-Keto-prostaglandin E2,CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,3.096418,9.63274315
Asparaginylglycine,N[C@@H](CC(N)=O)C(=O)NCC(O)=O,3.0981147,0.239912397
Decanoyl-CoA (n-C10:0CoA),CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.098182,1.256285887
"4,4-Dimethyl-14alpha-formyl-5alpha-cholesta-8-en-3beta-ol",CC(C)CCCC(C)C1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3,3.1040454,5.198395625
Theobromine,CN1C=NC2=C1C(O)=NC(=O)N2C,3.1064262,4.624291509
"9,12,13-TriHOME",CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O,3.1065342,4.25879471
Threonylaspartic acid,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O,3.11667,0.552885933
"(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol",O[C@@H]([C@H](O)C1=CC=CC=C1)C1=CC=CC=C1,3.1196835,20.06615102
L-3-Aminobutyryl-CoA,CC(N)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.1234987,0.440044096
Lipoxin B4,CCCCC[C@H](O)[C@H](O)\C=C\C=C\C=C/C=C/[C@@H](O)CCCC(O)=O,3.1292944,4.102068022
Dopamine glucuronide,NCCC1=CC(O)=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,3.1293714,0.686583621
Lysylglycine,NCCCC[C@H](N)C(=O)NCC(O)=O,3.1392593,0.507452944
Xanthylic acid,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1NC(=O)NC2=O,3.144721,0.740749948
3-Methylcrotonyl-CoA,CC(C)=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.1520522,0.484611047
5-Taurinomethyl-2-thiouridine,OC[C@H]1O[C@H](C(O)C1O)N1C=C(CNCCS(O)(=O)=O)C(=O)NC1=S,3.1545255,0.712343259
5-L-Glutamyl-L-alanine,C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,3.158382,1.55956028
Ophthalmic acid,CC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,3.1607852,0.367400376
Glucosylceramide (d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,3.1658616,2.449155413
Gamma-linolenoyl-CoA,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.1768894,2.353137545
(R)-N-Methylsalsolinol,C[C@H]1N(C)CCC2=CC(O)=C(O)C=C12,3.1837158,20.01201659
Salicyl CoA,CC1=C(C=CC=C1)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.1856737,1.262782421
Cysteinylhydroxyproline,N[C@@H](CS)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,3.185871,3.1453114
L-Cysteinylglycine disulfide,N[C@@H](CSSCC(N)C(=O)NCC(O)=O)C(O)=O,3.1871073,0.41344706
Sepiapterin,C[C@H](O)C(=O)C1=NC2=C(NC1)NC(N)=NC2=O,3.1954486,2.205326967
Crotonoyl-CoA,C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.2043319,0.484611047
Salsolinol,C[C@@H]1NCCC2=CC(O)=C(O)C=C12,3.2139335,7.797043771
(S)-N-Methylsalsolinol,C[C@@H]1N(C)CCC2=CC(O)=C(O)C=C12,3.2171764,20.01201659
Histidylleucine,CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CNC=N1)C(O)=O,3.218494,2.848829329
2'-Deoxyinosine triphosphate,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O,3.2283862,0.622578431
Glutaminylglycine,N[C@@H](CCC(N)=O)C(=O)NCC(O)=O,3.232638,0.225757365
2-Hydroxyphytanoyl-CoA,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.2344112,2.820857801
Dihydrobiopterin,C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O,3.23729,1.435842365
Serylhydroxyproline,N[C@@H](CO)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,3.243623,1.305135712
Beta-D-Glucose 6-phosphate,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,3.251274,0.556949386
Pyrimidine,C1=CN=CN=C1,3.251959,43.75468791
"4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol",CC(C)CCCC(C)C1CC[C@@]2(CO)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3,3.2582388,3.94985415
N-Acetylneuraminate 9-phosphate,[H][C@@](O)(COP(O)(O)=O)C([H])(O)[C@@]1([H])OC(O)(C[C@@]([H])(O)[C@]1([H])N=C(C)O)C(O)=O,3.2622972,0.403497927
Chenodeoxycholic acid disulfate,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O)[C@H](C)CCC(O)=O,3.2647512,2.0883305
Phytanoyl-CoA,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.2791655,1.95026584
atrazine,CCN=C1NC(NC(Cl)=N1)=NC(C)C,3.2854888,10.93701273
dUMP,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,3.287358,2.01980751
8-Oxo-dGTP,[H][C@]1(O)C[C@]([H])(OC1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C(O)=NC2=C1NC(=N)N=C2O,3.294327,0.409311755
Lipoxin A4,CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O,3.2947857,4.102068022
Eicosanoyl-CoA,CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.3058016,2.143663913
(S)-Hydroxydecanoyl-CoA,CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.3160021,1.251546014
(S)-b-aminoisobutyric acid,C[C@@H](CN)C(O)=O,3.3194296,8.909198642
Biopterin,C[C@H](O)[C@H](O)C1=CNC2=NC(N)=NC(=O)C2=N1,3.3243237,1.544833556
Mandelic acid,O[C@H](C(O)=O)C1=CC=CC=C1,3.3245902,13.47589642
Dimethyl-L-arginine,N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O,3.3310108,1.270814426
Acetoacetyl-CoA,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.3315597,0.352901197
(-)-Dihydrocarveol,C[C@@H]1CC[C@H](CC1O)C(C)=C,3.333488,34.00669396
"7a,12a-Dihydroxy-cholestene-3-one",[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2CC(=O)C=C[C@]12C,3.3362634,9.703042358
Cycloserine,[H][C@@]1(N)CON=C1O,3.3403587,7.349449396
Oxytocin 1-8,CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C(N)SSC[C@@H](NC(=O)C(CC(O)=N)NC(=O)[C@H](CCC(O)=N)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC(C)C)C(O)=O,3.3464153,0.600239215
Uridine triphosphate,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,3.3478854,0.398034556
Rigin,NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,3.3488867,0.26562328
Dapsone,NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1,3.349136,14.22231793
Oxytocin,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O,3.3538435,0.330355903
Isobutyryl-CoA,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.3561916,0.368049601
N-Acetylneuraminic acid 9-phosphate,[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O,3.3606405,0.403497927
5-Androstenetriol,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,3.363551,7.524005324
Desmosterol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C,3.3694143,17.45057553
Lactyl-CoA,CC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.3701375,0.337640406
Cholesterol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,3.3726115,18.62171739
Deoxyuridine triphosphate,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,3.3738077,0.484421663
(S)-3-Hydroxytetradecanoyl-CoA,CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.3784363,1.495785825
N-Glycolylneuraminic acid,OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O,3.3832347,0.531943003
Dynorphin A 1-8,CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,3.3839355,0.655784924
(S)-3-Hydroxydodecanoyl-CoA,CCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.386541,1.266099233
Chondroitin,CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1OC1OC(=C[C@@H](O)[C@H]1O)C(O)=O,3.387534,0.746312691
Serylarginine,N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,3.3887165,0.368362875
4Alpha-methyl-5alpha-cholesta-8-en-3-one,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)C1CC3,3.3897505,7.311525941
Safrole,[H]\C(C)=C(\[H])C1=CC2=C(OCO2)C=C1,3.3964417,44.6693182
"5a-Cholesta-7,24-dien-3b-ol",[H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,3.4037402,17.45057553
4-Hydroxy​-L-proline,OC1CN[C@@H](C1)C(O)=O,3.4081993,5.641436949
Erythronilic acid,C[C@H](O)[C@@H](C)C(O)=O,3.4154193,15.41394442
Serylcysteine,N[C@@H](CO)C(=O)N[C@@H](CS)C(O)=O,3.4178178,1.957553811
Phenylalanylthreonine,C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O,3.4240375,3.899702802
S-(2-Methylbutanoyl)-dihydrolipoamide,[H][C@@](C)(CC)C(=O)SCCC([H])(S)CCCCC(O)=N,3.4258876,22.41314501
(S)-3-Hydroxyhexadecanoyl-CoA,CCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.4272325,1.495785825
4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)C1CC3,3.4290087,8.215196431
8-iso-PGA1,CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(O)=O,3.4387825,12.4509275
3-Sialyl Lewis,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,3.4571512,0.600335607
"3a,7a-Dihydroxy-5b-cholestane",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,3.463366,9.846865386
Serylglycine,N[C@@H](CO)C(=O)NCC(O)=O,3.4650843,1.737951301
Thyroxine glucuronide,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(I)=C2)C(I)=C1)C(O)=O,3.4733274,0.394184561
4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)C1CC3,3.4763718,7.406841218
Thiamine monophosphate,CC1=C(CCO[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N,3.479363,2.525443956
"13,14-Dihydro-15-keto PGF2a",CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,3.4903364,6.377557665
Prostaglandin A1,CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O,3.4936998,12.4509275
"13,14-Dihydro PGE1",CCCCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,3.4948063,5.958592892
3'-Sialyllactosamine,CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)[C@@H]2O)(OC1[C@H](O)[C@H](O)CO)C(O)=O,3.5000145,0.381798833
Histidylthreonine,C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC1=CNC=N1)C(O)=O,3.5083046,1.777639426
"8-iso-13,14-dihydro-15-keto-PGF2a",CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O,3.521768,6.377557665
Lincomycin,[H][C@@]1(O[C@]([H])([C@H](NC(=O)C2C[C@@H](CCC)CN2C)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O)SC,3.5276513,2.405846678
Glutamylmethionine,CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,3.5374255,1.213049516
Serylaspartic acid,N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O,3.545233,0.468957005
Benzoyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=CC=C1,3.5522687,1.666156389
3-Oxotetradecanoyl-CoA,CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.5546627,1.495785825
4-Hydroxyphenylacetyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CC1=CC=C(O)C=C1,3.5831687,0.930588506
Serylserine,N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O,3.58616,0.714534987
Estriol-17-glucuronide,[H][C@@]12C[C@@H](O)[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,3.5870996,0.94223693
3-Methylhistamine,CN1C=NC=C1CCN,3.589439,13.77684325
Glutamylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,3.5922413,0.960002281
Itaconyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=C)C(O)=O,3.5928621,0.766354566
Glutaminylthreonine,C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O,3.593022,0.380699337
"Chondroitin 4,6-disulfate",[H]O[C@@H]1O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1NC(C)=O,3.5950415,0.314466725
Palmityl-CoA,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.5964043,2.058078721
Lauroyl-CoA,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.610745,1.243919041
Methylmalonyl-CoA,C[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.6122003,0.807253737
2-Methyl-3-hydroxybutyryl-CoA,C[C@H](O)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.6129205,1.030980237
(S)-Hydroxyhexanoyl-CoA,CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.6136386,1.030836906
"6,15-Diketo,13,14-dihydro-PGF1a",CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O,3.6137035,2.268363535
3-Hydroxybutyryl-CoA,C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.6161208,0.368049601
Beta-Alanyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CCN,3.6196756,0.440044096
Heptadecanoyl CoA,CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.6268017,2.143663913
Salsoline-1-carboxylate,COC1=C(O)C=C2CCN[C@@](C)(C(O)=O)C2=C1,3.6281047,5.395996943
"Erythrono-1,4-lactone",O[C@@H]1COC(=O)[C@@H]1O,3.629944,10.80028787
Formyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC=O,3.6303723,0.332327653
3-Hydroxypropionyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)CCO,3.6323905,0.28073343
Stearoyl-CoA,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.634284,2.143663913
E-Phenylitaconyl-CoA,OC(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N)C(=O)NCCC(=O)NCCSC(=O)C(\CC(=O)O)=C\C1=CC=CC=C1,3.6396155,1.290365215
beta-endosulfan,[H][C@]12CO[S@](=O)OC[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl,3.6494143,9.489322454
Acetyl-CoA,CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.650936,0.34543348
L-leucyl-L-proline,CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O,3.656851,6.548805535
Hexanoyl-CoA,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.657994,1.052342262
3Z-dodecenoyl-CoA,CCCCCCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.6617086,1.495785825
Serylasparagine,N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O,3.6675217,0.412736833
Succinyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O,3.6720822,0.48560109
Acrylyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(=O)NCCC(=O)NCCSC(=O)C=C,3.6740866,0.363825541
"Cyclohex-1,5-diene-1-carboxyl-CoA",CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCC=C1,3.68132,1.443249825
alpha-endosulfan,[H][C@]12COS(=O)OC[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl,3.682306,9.489322454
Malonyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O,3.6844602,0.26917886
Glutaryl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O,3.6878667,0.609663967
3'-Monoiodo-L-thyronine 4'-O-sulfate,N[C@H](CC1=CC=C(OC2=CC(I)=C(OS(O)(=O)=O)C=C2)C=C1)C(O)=O,3.6880145,3.113694862
trans-3-Hexenoyl-CoA,CC\C=C\CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.6883612,0.755517231
(2E)-Decenoyl-CoA,CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.6982496,1.503640134
L-Thyronine,N[C@@H](CC1=CC=C(OC2=CC=C(O)C=C2)C=C1)C(O)=O,3.700809,7.508377731
Malonyl-CoA semialdehyde,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC=O,3.70442,0.28073343
Serylglutamine,N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O,3.7068481,0.331196282
3-Hydroxy-3-methylglutaryl-CoA,C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.7068598,0.792135671
4-Deoxyerythronic acid,C[C@@H](O)[C@@H](O)C(O)=O,3.7109802,6.165831164
Leucylleucine,CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(O)=O,3.7125065,1.951263286
21-Deoxycortisol,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,3.7153695,16.11867845
Levuglandin E2,CCCCC[C@H](O)\C=C\[C@@H](C=O)[C@H](C\C=C/CCCC(O)=O)C(C)=O,3.7202692,9.402118623
Histidinyl-Tryptophan,NC(CC1=CN=CN1)C(O)=NC(CC1=CNC2=CC=CC=C12)C(O)=O,3.7229576,2.63338238
N-Acetyl-b-glucosaminylamine,CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O,3.7233167,1.098515186
Threonolactone,O[C@H]1COC(=O)[C@@H]1O,3.7233205,10.80028787
2-Carboxymethyl-3-hydroxyphenylpropionyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(O)C1=CC=CC=C1,3.7245872,0.987328216
Sphinganine,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,3.7258751,11.58298403
Deoxyribose 5-phosphate,O[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,3.7262928,3.059024364
8-iso-PGF3a,CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O,3.7274141,4.315734282
Monoiodothyronine,N[C@H](CC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1)C(O)=O,3.7425635,5.68789877
Prostaglandin F3a,CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,3.7443106,4.315734282
3-Oxopimelyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(O)=O,3.7745237,0.779514434
Dephospho-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS,3.782166,0.493775448
(2E)-Tetradecenoyl-CoA,CCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.7902715,1.798993908
Tetrahydrofolic acid,NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N2)N1,3.7906194,0.393153122
"3,3'-Diiodothyronine",N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C=C1)C(O)=O,3.7941093,5.427933112
4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide,OC(CCC(=O)OC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)CC1=CC=CC=C1,3.7972093,1.844655909
(2E)-Octenoyl-CoA,CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.7986705,1.29883429
3-Hydroxypimelyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCC(O)=O,3.8047323,0.805845205
dCTP,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,3.809504,0.539966859
5-L-Glutamyl-taurine,N[C@@H](CCC(=O)NCCS(O)(=O)=O)C(O)=O,3.8153164,0.95343627
S-Methylmalonyl-CoA,C[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.8160274,0.807253737
3-Hydroxy-L-proline,O[C@H]1CCN[C@H]1C(O)=O,3.8170755,5.641436949
Thymidine 5'-triphosphate,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,3.8192859,0.57689785
dUDP,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,3.8309405,0.942723453
"3',5'-Diiodo-L-thyronine 4'-O-sulfate",N[C@H](CC1=CC=C(OC2=CC(I)=C(OS(O)(=O)=O)C(I)=C2)C=C1)C(O)=O,3.832083,4.259346426
Malyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)C(O)=O,3.8351316,0.666625658
Beta-N-Acetylglucosamine,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,3.8364213,4.352724925
Hydroxysepiapterin,NC1=NC(=O)C2=C(NCC(=N2)C(=O)[C@@H](O)CO)N1,3.84552,1.142994128
6-Oxocyclohex-1-ene-1-carboxyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1=O,3.8504121,0.832012668
N-Acetylglucosamine 6-sulfate,CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O,3.852378,3.674738854
Uridine 5'-diphosphate,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,3.8568752,0.391386915
N-Acetyl-L-alanine,C[C@H](NC(C)=O)C(O)=O,3.8574462,10.0103572
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O,3.8593743,0.54525435
trans-2-Hexenoyl-CoA,CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.8690817,0.908666756
Palmitoleyl CoA,CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.8725574,2.474795654
Cytidine monophosphate N-acetylneuraminic acid,[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO,3.8743236,0.398812164
(R)-Benzylsuccinyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CC1=CC=CC=C1)C(O)=O,3.8780072,1.072883047
Glycineamideribotide,NCC(=O)N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,3.884208,0.808487553
Palmitelaidoyl-CoA,CCCCCC\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.8898184,2.474795654
6-Hydroxycyclohex-1-ene-1-carboxyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1O,3.8899188,1.142536663
Pyrogallol-2-O-glucuronide,O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC=C2O)O[C@@H]([C@H]1O)C(O)=O,3.9027457,0.813901983
"4-Hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide",OC(CCC(=O)OCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)CC1=CC(O)=C(O)C(O)=C1,3.9032931,0.234549306
(3S)-3-Hydroxyadipyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCC(O)=O,3.9036975,0.685879635
Pteroyl-D-glutamic acid,NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O)N1,3.9071972,0.289737293
6-Ketoprostaglandin E1,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(O)=O,3.9094439,1.767010987
"3a,21-Dihydroxy-5b-pregnane-11,20-dione",[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,3.9110172,13.24467212
Selenocystine,NC(C[Se][Se]CC(N)C(O)=O)C(O)=O,3.9121377,0.531330425
4-cis-Decenoyl-CoA,CCCCC\C=C\CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,3.9178638,1.151163131
N-Acetylgalactosamine 4-sulphate,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O,3.9224446,2.810418047
Serylproline,N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O,3.922589,3.896285594
Leukotriene E4,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SCC(N)C(O)=O)[C@@H](O)CCCC(O)=O,3.9264681,1.730220392
6-Sulfatoxymelatonin,[H]N(CCC1=CN([H])C2=CC(OS(O)(=O)=O)=C(OC)C=C12)C(C)=O,3.930909,5.496636033
dTDP,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,3.9377267,0.895396527
"4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide",OC(CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)CC1=CC(O)=CC(O)=C1,3.9435155,0.261505577
Triiodothyronine sulfate,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C=C2)C(I)=C1)C(O)=O,3.9480996,2.234839462
Sialyl-Lewis X,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,3.9496324,0.600335607
Boldenone 17-sulfate,[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,3.9528522,13.72682154
gamma-Glutamylthreonine,C[C@@H](O)[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,3.961815,0.40670163
Epipregnanolone,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O,3.9730966,22.09049016
"cis,cis-3,6-Dodecadienoyl-CoA",CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,3.9762366,1.495785825
5beta-Cholestanone,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,3.9831996,7.652395964
Arginylleucine,CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O,3.9843886,0.305046863
"Trans-2,3-dehydrododecanoyl-CoA",CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N,3.9884198,1.798993908
Thymidine,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,3.999743,3.86239104
"Inositol 1,3,4,5,6-pentakisphosphate",O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,4.0034146,0.349871069
Glutaminylhydroxyproline,N[C@@H](CCC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,4.0047126,0.748869823
Ribothymidine,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O,4.006293,3.413408995
Octanoylglucuronide,CCCCCCCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,4.0076146,4.346604273
Allopregnanolone,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O,4.0081635,22.09049016
dCDP,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1,4.0107803,0.631662272
"3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid",C[C@@H](O)[C@@H](C)C(O)=O,4.013477,15.41394442
4-Oxo-9-cis-retinoyl-beta-glucuronide,C\C(\C=C\C1=C(C)CCC(=O)C1(C)C)=C\C=C\C(\C)=C\C(=O)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,4.0135875,0.880221836
5-Thymidylic acid,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,4.0183954,2.107778378
"4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide",OC(CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)CC1=CC(O)=C(O)C=C1,4.0192585,0.26095896
"dTDP-4-acetamido-4,6-dideoxy-D-galactose",[H]C1(O)CC([H])(OC1([H])COP(O)(=O)OP(O)(=O)O[C@]1([H])O[C@]([H])(C)C([H])(N=C(C)O)[C@]([H])(O)[C@@]1([H])O)N1C=C(C)C(O)=NC1=O,4.023428,0.456354022
5-Methyldeoxycytidine,CC1=CN([C@H]2CC(O)[C@@H](CO)O2)C(=O)N=C1N,4.0271373,4.567665979
Lysylmethionine,CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O,4.033511,0.263295393
Adipoyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(O)=O,4.0350614,0.720226159
11a-Hydroxyprogesterone,[H][C@@]12CCC(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,4.035716,14.84732926
(S)-Reticuline,COC1=C(O)C=C(C[C@@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1,4.037495,14.94245678
Penicillin G,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O,4.0438395,2.993095666
Thyroxine sulfate,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(OS(O)(=O)=O)C(I)=C2)C(I)=C1)C(O)=O,4.0454707,1.116096228
Naringenin,OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O1)C=C(O)C=C2O,4.047942,12.2986339
5-Methyltetrahydrofolic acid,CN1C(CNC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2,4.0488234,0.324058207
"PI(16:0/18:2(9Z,12Z))",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,4.0547695,1.45279821
Asparaginylhydroxyproline,N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,4.0595846,0.494760089
Retinyl beta-glucuronide,O[C@@H]1[C@@H](O)[C@H](OC\C=C(\C)/C=C/C=C(/C)\C=C\C2=C(C)CCCC2(C)C)O[C@H](C(O)=O)[C@H]1O,4.062571,2.957692184
p-Aminobenzoic acid,NC1=CC=C(C=C1)C(O)=O,4.0655985,8.075323701
PI(16:0/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,4.0707994,1.45279821
Glutaminylproline,N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O,4.0734468,1.853651553
Aspartyl-L-proline,N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O,4.0741196,2.370453626
4-Aminohippuric acid,NC1=CC=C(C=C1)C(=O)NCC(O)=O,4.0742702,3.459381312
"5b-Cholestane-3a,7a,12a,23S,25-pentol",[H][C@](O)(C[C@]([H])(C)C1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)CC(C)(C)O,4.074301,3.473017737
Stanozolol,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NNC=C3C[C@]12C,4.077478,9.237642586
(S)-3-Hydroxy-N-methylcoclaurine,COC1=C(O)C=C2[C@H](CC3=CC(O)=C(O)C=C3)N(C)CCC2=C1,4.081518,8.899343759
Glucosylceramide (d18:1/12:0),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,4.082876,2.144374698
Beta-D-Fructose 6-phosphate,OC[C@@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,4.084189,0.391845452
Galactosylceramide (d18:1/12:0),CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,4.0857534,2.144374698
Homocarnosine,NCCCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O,4.0904074,3.720004857
Isovalerylglucuronide,CC(C)CC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,4.0908875,3.851190209
Glutamylproline,N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O,4.093331,3.292559087
8-Isoprostaglandin E1,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O,4.0955505,6.841541082
Pseudoecgonyl-CoA,CN1C2CCC1[C@@H]([C@@H](O)C2)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,4.0962844,0.824363902
12b-Hydroxy-5b-cholanoic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O,4.099381,10.09933949
N-Acetyl-b-D-galactosamine,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O,4.102316,4.352724925
2-Hydroxyadenine,NC1=NC(O)=NC2=C1NC=N2,4.1043425,1.362197194
Thyroxine,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,4.1079946,4.453567043
5-Phosphoribosylamine,N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,4.1105857,0.544701517
Pregnanetriolone,[H][C@@](C)(O)[C@@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C(=O)C[C@]12C,4.1110096,10.10079756
"2,4-Decadienoyl-CoA",CCCCC\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N,4.1155753,1.564385928
"2-trans,4-trans-Octadienoyl-CoA",CCC\C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N,4.128765,1.16727706
Carnosine,NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O,4.140889,2.054435946
Cholestenone,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,4.1424026,7.696592063
"11b,21-Dihydroxy-3,20-oxo-5b-pregnan-18-al",[H]C1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])[C@]([H])(O)C[C@@]12C=O)C(=O)CO,4.1457963,7.284568995
Histidylhydroxyproline,N[C@@H](CC1=CNC=N1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,4.1534867,1.556987409
PIP2(16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,4.1561074,2.13249065
Threonylisoleucine,CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O,4.1607585,1.760211028
7-Dehydrodesmosterol,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C,4.1701856,17.00418442
Liothyronine,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O,4.170684,4.96208854
Alanylleucine,CC(C)C[C@H](NC(=O)[C@H](C)N)C(O)=O,4.1725745,2.498244494
Glucosylceramide (d18:1/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC,4.1754937,1.583807915
Serylleucine,CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(O)=O,4.1767526,2.216636389
5-Methoxytryptophan,COC1=CC2=C(NC=C2C[C@H](N)C(O)=O)C=C1,4.1780515,7.47833401
18-Carboxy-dinor-LTE4,N[C@H](CS[C@H](\C=C\C=C\C=C/C\C=C/CCC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O,4.1829906,0.360882375
Galactosylceramide (d18:1/14:0),CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,4.184848,2.090201527
Escitalopram,CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,4.1920233,23.41470569
trans-3-Decenoyl-CoA,CCCCCC\C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,4.192182,1.250212081
Tyrosylhydroxyproline,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,4.205732,1.874190755
13E-Tetranor-16-carboxy-LTE4,N[C@H](CS[C@H](\C=C\C=C\C=C/C=C/CC(O)=O)[C@@H](O)CCCC(O)=O)C(O)=O,4.20716,0.21607785
"5Z,8Z,11Z,14Z-eicosatetraenonyl-CoA",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,4.208934,2.205200866
Tryptophylhydroxyproline,N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,4.2171426,3.268625215
"N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O,4.217526,3.096249886
N-Acetyl-D-Glucosamine 6-Phosphate,CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,4.2207704,0.69841505
Dihydropteridine,C1CN=C2N=CN=CC2=N1,4.2242193,13.59574199
N-Acetyl-D-mannosamine 6-phosphate,CC(=O)N[C@@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,4.228573,0.69841505
dCMP,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,4.2295847,2.081038989
2-O-Methylcytosine,COC1=NC=CC(N)=N1,4.2299023,4.698590934
Citalopram,CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,4.2388754,23.41470569
Lewis a trisaccharide,[H][C@@](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](NC(C)=O)C=O,4.2389965,0.13190608
Glutamylleucine,CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,4.2416735,0.698622223
UDP-L-rhamnose,C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O,4.2439904,0.455786847
CerP(d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,4.2497883,4.401216656
"7-a,27-dihydroxycholesterol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO,4.256089,8.184888959
"1,2 Diaminopropane",CC(N)CN,4.262437,7.330211997
Glucosylsphingosine,CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,4.267578,0.803935807
(R)-b-aminoisobutyric acid,C[C@H](CN)C(O)=O,4.271584,8.909198642
FMNH,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1,4.27408,0.455339486
5beta-Coprostanol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,4.276721,15.96878171
(S)-Esomeprazole,COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1,4.284449,21.68377042
Glutaminylleucine,CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O,4.2904944,0.357506843
3-Methylxanthine,CN1C2=C(NC=N2)C(=O)NC1=O,4.290498,6.241680309
Poly-N-acetyllactosamine,CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,4.292181,0.215110206
N-Acetylglucosamine 6-phosphate,CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,4.2922306,0.69841505
S-(PGA2)-glutathione,CCCCCC(O)\C=C\[C@@H]1C(CC(=O)[C@@H]1C\C=C/CCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,4.2943196,0.708913663
N-Acetylgalactosamine,CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O,4.294367,4.352724925
Biotinyl-5'-AMP,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O,4.2991557,0.573857781
Peonidin-3-glucoside,COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,4.3010693,0.256515434
"S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione",CCCCC[C@H](O)C\C=C1\C(O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C\C=C/CCCC(O)=O,4.3013415,0.474931765
Propylpyrazine,CCCC1=CN=CC=N1,4.3028955,70.31680346
"3beta,17alpha-Dihydroxy-5alpha-androstane",[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,4.3071976,15.68697095
Neomenthol-glucuronide,CC(C)C1CCC(C)CC1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,4.309339,3.031985462
Taurochenodeoxycholate-7-sulfate,[H][C@@](C)(CCC(O)=NCCS(O)(=O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C([H])(C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O,4.311767,1.791408472
"5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide",COC1=C(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)C(O)=CC(CC2CCC(=O)O2)=C1,4.3138695,0.870526489
Histamine,NCCC1=CNC=N1,4.3148737,7.551908493
Deoxyribose 1-phosphate,OC[C@H]1OC(C[C@@H]1O)OP(O)(O)=O,4.317801,3.059024364
5-Aminoimidazole,NC1=CN=CN1,4.3200145,5.66842705
Arginylproline,N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O,4.320207,0.988919102
"5,10-Methenyltetrahydrofolic acid",[H][C@@]12CN(C=[N+]1C1=C(NC2)NC(N)=NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C([O-])=O,4.340216,0.623873156
Dihydroneopterin triphosphate,NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(=O)N1,4.3430276,0.388968387
L-Alpha-aminobutyric acid,CC[C@H](N)C(O)=O,4.3442793,8.481062949
Valylglycine,CC(C)[C@H](N)C(=O)NCC(O)=O,4.344541,1.617595367
N-Acetyl-D-mannosamine,CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,4.345299,4.352724925
D-Ribulose 5-phosphate,OC1O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]1O,4.345319,0.925927609
24-Methylenecholesterol,[H][C@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,4.3562913,12.37283498
Dynorphin B (10-13),CC(C)[C@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@H](C)O)C(O)=O,4.3605313,0.135603477
Prometryn,CSC1=NC(NC(N1)=NC(C)C)=NC(C)C,4.36583,11.98119149
"(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid",[H][C@@]12CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,4.366106,0.609664759
terbumeton,CCN=C1N=C(NC(C)(C)C)NC(OC)=N1,4.367373,6.26232177
Threonylthreonine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](C(C)O)C(O)=O,4.3741083,0.87010162
Urea,NC(N)=O,4.3805637,2.181070484
6-Dimethylaminopurine,CN(C)C1=NC=NC2=C1NC=N2,4.384165,4.70238179
"P1,P4-Bis(5'-xanthosyl) tetraphosphate",O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(=O)NC3=O)O[C@H]([C@@H]1O)N1C=NC2=C1NC(=O)NC2=O,4.3909097,0.887525734
"5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-3'-O-methyl-4'-O-glucuronide",COC1=C(OC2[C@@H](O)O[C@H]([C@H](O)[C@H]2O)C(O)=O)C=CC(CC2CCC(=O)O2)=C1,4.3962574,1.611274667
Ursodeoxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,4.3997426,5.773268268
"3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,4.4005446,3.721470758
Hyocholic acid,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,4.4034724,4.317066818
Lewis X trisaccharide,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](NC(C)=O)C=O,4.404727,0.13190608
L-2-Aminoadipate adenylate,[H][C@](N)(CCCC(=O)OP(O)(=O)OCC1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O,4.406761,0.58687143
"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl",COC(=O)[C@H]1OC(OC2=CC(O)=CC(CC3CCC(=O)O3)=C2)[C@H](O)[C@@H](O)[C@@H]1O,4.4073052,1.806498878
Phosphoribosyl formamidocarboxamide,NC(=O)C1=C(NC=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,4.4109015,0.825228356
L-Threonine,C[C@@H](O)[C@H](N)C(O)=O,4.420789,7.109176368
"2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol",CC(=O)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,4.4240665,0.672959071
Terbutryn,CCN=C1N=C(NC(C)(C)C)NC(SC)=N1,4.4317384,13.42555583
Selenohomocysteine,NC(CC[SeH])C(O)=O,4.437289,5.132628605
Epiandrosterone sulfate,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](CC[C@]12C)OS(O)(=O)=O,4.437526,12.55529821
Glycylvaline,CC(C)[C@H](NC(=O)CN)C(O)=O,4.4410386,2.044376545
Epimetendiol,[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2(C)C[C@H](O)C=C[C@]12C,4.4528346,13.38078529
"3-(3,5-dihydroxyphenyl)-4-(2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5,6-diol",[H]C(=C([H])C1=C2C(C(OC2=CC(O)=C1O)C1=CC=C(O)C=C1)C1=CC(O)=CC(O)=C1)C1=CC2=C(OC(C2C2=C3C(C(OC3=CC(O)=C2)C2=CC=CC=C2)C2=CC(O)=CC=C2)C2=CC=CC=C2)C=C1,4.453518,0.80336472
(S)-5-Amino-3-oxohexanoate,C[C@H](N)CC(=O)CC(O)=O,4.4622808,5.874880403
D-Serine,N[C@H](CO)C(O)=O,4.4631066,4.463632405
Umanopterin,NC1=NC(=O)C2=NC(=CNC2=N1)[C@@H](O)[C@H](O)CO,4.4684377,0.695679802
L-Threoneopterin,NC1=NC(=O)C2=NC(=CNC2=N1)[C@H](O)[C@@H](O)CO,4.4691734,0.695679802
Erythrodiol,[H][C@@]12CC(C)(C)CC[C@]1(CO)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C,4.4818873,6.253927946
"4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-[(Z)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol",[H]\C(=C(/[H])C1=CC(O)=CC2=C1C(C(O2)C1=CC=C(O)C=C1)C1=CC(O)=CC=C1)C1=CC2=C(OC(C2C2=C3C(C(OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C2=CC(O)=C(O)C=C2)C=C1,4.4876256,0.639753975
Uridine diphosphate glucuronic acid,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,4.4953456,0.354500883
Guanidinosuccinic acid,NC(=N)N[C@@H](CC(O)=O)C(O)=O,4.5061517,0.693446165
LysoSM(d18:1),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(=O)(O)OCC[N+](C)(C)C,4.5073695,3.495024517
S-Nitrosoglutathione,N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC(O)=O)C(O)=O,4.507597,0.180483784
Symmetric dimethylarginine,CN\C(NCCC[C@H](N)C(O)=O)=N/C,4.5084887,1.26489047
5-(3'-Hydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide,C[C@@H]1[C@@H](C)[C@H](OC2=CC=CC(CC3CCC(=O)O3)=C2)O[C@@H]([C@H]1C)C(O)=O,4.511772,16.23230875
Homoanserine,CN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O,4.512792,3.463259712
Taurohyocholate,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)[C@@H]2O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,4.515564,2.953352034
Valylleucine,CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(O)=O,4.516209,1.534909569
Glutathione,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O,4.5174475,0.316761341
Dihydroneopterin phosphate,NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(O)=O)C(=O)N1,4.5177836,0.962346047
Lithocholic acid glycine conjugate,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O,4.528787,4.5089297
Episterol,[H][C@@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,4.538556,12.37283498
alpha-CEHC glucuronide,CC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(C)=C2CC[C@@](C)(CCC(O)=O)OC2=C1C,4.546301,0.684529822
"CE(22:5(7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,4.549076,1.555238478
Glutamylasparagine,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O,4.555003,0.319034723
Phenylalanyltyrosine,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,4.561146,3.509120643
Bilirubin glucuronide,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(=O)O[C@H]3[C@H](O)O[C@@H]([C@@H](O)[C@@H]3O)C(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1,4.5745444,1.093774755
"CE(20:4(5Z,8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,4.585622,2.193001658
Asparaginylasparagine,N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O,4.5859923,0.376294437
Indole-3-acetic-acid-O-glucuronide,O[C@@H]1[C@@H](O)[C@H](OC(=O)CC2=CNC3=C2C=CC=C3)O[C@@H]([C@H]1O)C(O)=O,4.5872626,1.36061497
rac-4-Hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate,CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)[C@@H](CCC1(C)C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,4.59855,2.215621248
"beta-1,4-Mannosyl-N-acetylglucosamine",CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O,4.5990043,0.381408096
4-Androstenediol,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C[C@@H](O)CC[C@]12C,4.601845,14.85299617
Glutaminylglutamic acid,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O,4.608909,0.303654931
Chitobiose,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(O)=O)[C@@H]1O,4.6130295,0.24265782
S-(9-hydroxy-PGA2)-glutathione,CCCCC[C@H](O)\C=C\[C@@H]1C(CC(O)[C@@H]1C\C=C/CCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,4.6236453,0.5939967
Epsilon-(gamma-Glutamyl)-lysine,N[C@@H](CCCCNC(=O)CC[C@H](N)C(O)=O)C(O)=O,4.6296444,0.136650249
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate,CC1=C2C3=CC=CC=C3C=CC2=C(COS(O)(=O)=O)C2=CC=CC=C12,4.6302333,12.73535937
Glutamylglutamine,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O,4.636109,0.303654931
Adenylsuccinic acid,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O,4.636253,0.567290466
Glutaminylasparagine,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O,4.6446357,0.397145608
m-Aminobenzoic acid,NC1=CC=CC(=C1)C(O)=O,4.6472545,8.075323701
"3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-CoA",CC(CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C1CCC2C3[C@H](O)C[C@]4([H])C[C@H](O)CCC4(C)C3C[C@H](O)C12C,4.647568,1.097897533
Xanthosine 5-triphosphate,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=C(O)N=C2O,4.647677,0.380626437
N-Acetyl-D-glucosaminyldiphosphodolichol,OC[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O,4.654562,0.621286407
Glutaminylmethionine,CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O,4.6567655,0.354119926
1b-Hydroxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)C[C@@H](O)[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O,4.6591134,3.721470758
UDP-N-acetyl-D-mannosamine,CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H](CO)OC1OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)N1C=CC(=O)NC1=O,4.666387,0.356837711
"Inositol 1,3,4,5-tetraphosphate",O[C@H]1C(OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)C(OP(O)(O)=O)[C@H]1OP(O)(O)=O,4.66895,0.294476328
Ketoconazole,CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,4.6723237,6.293029338
N-Acetyllactosamine,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O,4.67395,0.381408096
Inosine triphosphate,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O,4.6833467,0.443443982
trans-isoeugenol-O-glucuronide,COC1=CC(\C=C\C)=CC=C1OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,4.683859,3.236096725
Glutaminylserine,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O,4.685703,0.313807605
2-Methyl-1-hydroxybutyl-ThPP,CC[C@H](C)C(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,4.686593,1.476794854
Riboflavin,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1,4.6896787,1.850208454
N-Glycoloylganglioside GM2,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CCCCCCCCCCCCCCCC,4.6946554,2.22381372
Asparaginylglutamine,N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O,4.700035,0.397145608
"3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA",CC(CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C1CCC2C3[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C,4.701649,1.507649664
Melanin,CC1=C2NC=C3C2=C(C2=CNC4=C(C)C(=O)C(=O)C3=C24)C(=O)C1=O,4.7022204,6.45307973
Glutaminylglutamine,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O,4.7052693,0.377509021
Leukotriene C5,CC\C=C/C\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,4.7175856,1.031717658
3-O-Sulfogalactosylceramide (d18:1/12:0),CCCCCCCCCCCCC\C=C\[C@](O)([H])[C@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)NC(=O)CCCCCCCCCCC,4.7190585,1.813334227
"CE(22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,4.723492,1.555238478
6-Hydroxy flavin adenine dinucleotide,CC1=C(C)C(O)=C2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)C2=C1,4.7238846,0.967285968
S-(9-hydroxy-PGA1)-glutathione,CCCCC[C@H](O)\C=C\[C@@H]1C(CC(O)[C@@H]1CCCCCCC(O)=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,4.7270136,0.936644524
Bisnorcholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C(O)=O,4.72997,5.3239692
Prostaglandin H2,CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O,4.73043,13.95234913
Ganglioside GM3 (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCC,4.7306514,1.283232309
3-O-Sulfogalactosylceramide (d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(=O)(O)=O)C1O)[C@@](O)([H])\C=C\CCCCCCCCCCCCC,4.740146,1.708226837
Calcitroic acid,[H][C@@]12CC[C@H]([C@H](C)CC(O)=O)[C@@]1(C)CCC\C2=C/C=C1\C[C@@H](O)C[C@H](O)C1=C,4.7408695,5.849416554
3-carboxy-1-hydroxypropylthiamine diphosphate,CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC(C(O)CCC(O)=O)=[N+]1CC1=C(N)N=C(C)N=C1,4.7412944,0.606757589
7b-Hydroxydehydroepiandrosterone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C,4.741329,13.31205517
FAD,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2,4.750753,1.040411741
FADH,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=C(N2)C(=O)NC(=O)N1,4.752711,1.590713114
"1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(Galactosyl-alpha-1-6-Galactosyl-beta-1)-glycerol",[H][C@](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)[C@H](O)C(O)C1O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,4.754385,1.301253773
Oleoyl-CoA,CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,4.760544,2.577709593
Thiamin triphosphate,CC1=C(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=C(N)N=C(C)N=C1,4.7675753,0.612595538
Canrenone,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,4.7696934,11.06708422
Cortol,[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,4.775263,3.203386441
Uridine diphosphate-N-acetylglucosamine,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,4.775811,0.356837711
Diphenol glucuronide,O[C@H]1[C@H](O)[C@@H](OC2=CC=CC=C2O)O[C@H]([C@@H]1O)C(O)=O,4.7893963,0.907027628
Imidazoleacetic acid ribotide,O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)N1C=NC(CC(O)=O)=C1,4.7903595,1.806134731
IDP,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O,4.7996755,1.995960064
Phosphocreatinine,CN1CC(O)=NC1=NP(O)(O)=O,4.8030233,4.326419532
Biflorin,CC1=CC(=O)C2=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)C=C2O1,4.814364,0.760107301
Delta7-Avenasterol,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C\C)C(C)C,4.819192,8.547807485
"Phosphatidylinositol-3,4,5-trisphosphate",[H][C@](COP(O)(=O)OC1([H])[C@]([H])(O)[C@]([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)[C@@]1([H])O)(CC(O)=O)C(O)=O,4.8234115,0.388187054
N-Acetyl-D-galactosamine 1-phosphate,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(O)=O,4.8257976,0.728919543
Argininic acid,NC(=N)NCCC[C@H](O)C(O)=O,4.834557,0.337182172
Chenodeoxyglycocholoyl-CoA,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,4.8405886,1.362268347
"4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol",[H][C@@]1(CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)[C@H](C)CCC=C(C)C,4.845476,5.457654968
Glutamylarginine,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,4.846584,0.240525906
Trichloroethanol glucuronide,O[C@@H]1[C@@H](O)[C@H](OCC(Cl)(Cl)Cl)O[C@@H]([C@H]1O)C(O)=O,4.8561106,3.525178507
Arginylasparagine,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O,4.865321,0.375040551
"3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,4.8716354,0.827832241
"4,8-Dimethylnonanoyl-CoA",CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,4.8744564,1.324829459
Angiotensin IV,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,4.8765135,0.73468578
L-Homocysteic acid,N[C@@H](CCS(O)(=O)=O)C(O)=O,4.8779936,0.909980945
11-Hydroxyprogesterone 11-glucuronide,CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,4.87802,2.046702802
25-Azacholesterol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCN(C)C,4.882309,16.99942201
N-Acetyl-9-O-lactoylneuraminic acid,CC(O)C(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O,4.8830366,0.402700948
Glutaminylcysteine,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(O)=O,4.884936,0.336640654
Ethyl glucuronide,CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,4.8852315,2.665940672
Guanidoacetic acid,NC(=N)NCC(O)=O,4.8907194,1.979444735
Ribose 1-phosphate,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,4.891303,0.925927609
Palmitoyl glucuronide,CCCCCCCCCCCCCCCCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,4.8923965,2.760617435
Arginylglutamine,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(O)=O,4.89338,0.307028834
4-Hydroxyandrostenedione glucuronide,C[C@]12CCC3C(CCC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)CC[C@]34C)C1CCC2=O,4.898958,1.997995935
Aspartylglycosamine,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O,4.9093785,0.472429814
Glutaminylarginine,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,4.910147,0.307028834
"3a,7a-Dihydroxy-5b-cholestanoyl-CoA",[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,4.9107637,1.136791985
Leukotriene F4,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)[C@@H](O)CCCC(O)=O,4.915727,1.046593301
"2,8-Dihydroxyadenine",NC1=NC(O)=NC2=C1NC(O)=N2,4.9206815,0.737051247
Pregnanediol-3-glucuronide,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)O,4.921464,2.291185781
Atorvastatin,CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,4.924049,3.045416437
Thiamine pyrophosphate,CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,4.9274426,1.843927242
7-Hydroxy-6-methyl-8-ribityl lumazine,CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1,4.933005,0.687767845
Galabiosylceramide (d18:1/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,4.936825,1.234751567
Fructose 6-phosphate,OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,4.9423413,0.197055726
"3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA",[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,4.944654,1.168303844
"2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol",[H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC=C(NC(C)=O)[C@H]1O,4.948921,0.672959071
Galabiosylceramide (d18:1/25:0),CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,4.952775,1.234751567
Galabiosylceramide (d18:1/20:0),CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,4.9528103,1.421426609
Estriol 3-sulfate 16-glucuronide,[H][C@@]12C[C@@H](OC3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3,4.9544587,0.424310798
Galabiosylceramide (d18:1/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,4.957398,1.307153143
"3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA",[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,4.963367,0.850779843
Galabiosylceramide (d18:1/16:0),CCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,4.9635696,1.421426609
Galabiosylceramide (d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,4.968956,1.421426609
Tri-N-acetylchitotriose,CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO,4.9692616,0.224329601
Galabiosylceramide (d18:1/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC,4.9714417,1.387293823
R-Methylmalonyl-CoA,C[C@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,4.9751773,0.807253737
"5-Androstene-3b,16a,17a-triol",[H][C@@]12C[C@@H](O)[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,4.99034,7.524005324
Celecoxib,CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F,4.9912567,15.25147706
Asparaginylarginine,N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,4.9915466,0.375040551
Olanzapine,CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2,5.001985,19.67156976
Ascorbic acid,[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO,5.0059395,2.130692638
Pristanoyl-CoA,CC(C)CCCC(C)CCCC(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,5.006525,2.251523547
2-Keto-3-deoxy-6-phosphogluconic acid,O[C@H](COP(O)(O)=O)[C@@H](O)CC(=O)C(O)=O,5.012877,0.831570383
"3a,7a,12a,24-Tetrahydroxy-5b-cholestanoyl-CoA",[H][C@@]12C[C@H](O)CCC1(C)C1C[C@H](O)C3(C)C(CCC3C1[C@H](O)C2)C(C)CCC(O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,5.0149326,1.052615326
L-Ribulose,OCC1(O)OC[C@@H](O)[C@@H]1O,5.0154557,3.708233312
Isopentenyladenine-9-N-glucoside,CC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NCC=C(C)C,5.0166583,3.045500815
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,5.025085,1.331847161
5-L-Glutamylglycine,N[C@@H](CCC(=O)NCC(O)=O)C(O)=O,5.025252,0.926199555
N-Methyl-D-aspartic acid,CN[C@H](CC(O)=O)C(O)=O,5.027599,3.818596527
5b-Cyprinol sulfate,CC(CCCC(CO)COS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@@H](O)[C@]12C,5.0309157,5.367511883
D-Aspartic acid,N[C@H](CC(O)=O)C(O)=O,5.0358243,1.916220039
(5Alpha)-campestan-3-one,[H][C@@]12CCC3C4CCC([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CCC(=O)C2,5.0359898,6.269892305
Arginylarginine,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,5.0579944,0.187405874
Arginylglutamic acid,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O,5.059739,0.240525906
(22Alpha)-hydroxy-campest-4-en-3-one,CC(C)[C@H](C)C[C@H](O)[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,5.0676026,7.448664308
"2,8-Dihydroxyquinoline-beta-D-glucuronide",O[C@H]1[C@H](OC2=NC3=C(C=CC=C3O)C=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O,5.073171,0.900636893
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OP(O)(=O)OCC(COC(C)=O)OC(C)=O,5.0763273,0.227694819
18-Hydroxycorticosterone,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])C([H])(O)C[C@]12CO)C(=O)CO,5.089609,5.170622468
Pectin,O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O,5.091135,0.610644929
Thymidine glycol,CC1(O)C(O)N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1O,5.0950775,0.943756197
Campesterol,CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,5.101665,9.430518746
D-Glutamic acid,N[C@H](CCC(O)=O)C(O)=O,5.1191797,1.232372411
"5,6-trans-25-Hydroxyvitamin D3",C[C@H](CCCC(O)(C)C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C/C=C1\C[C@H](O)CCC1=C,5.1210375,10.79920232
"(23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide)",C[C@H](C[C@H](OC1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,5.122397,1.093781367
Vanillic acid 4-O-glucuronide,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(=C1)C(O)=O,5.1315856,0.863932539
Serylthreonine,C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(O)=O,5.134063,0.888482854
Arginylhydroxyproline,N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,5.141475,0.832565408
"(3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(O)=O,5.1425076,0.693408912
Valproic acid glucuronide,CCCC(CCC)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,5.1597643,3.061192669
Methylcysteine,[H][C@](N)(CSC)C(O)=O,5.161958,8.103622496
N-Acetylhistidine,CC(O)=NC(CC1=CN=CN1)C(O)=O,5.1786537,4.630372673
Tauro-b-muricholic acid,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)[C@H](CCC3C1[C@@H](O)[C@H]2O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,5.181145,2.953352034
Galactosylglycerol,OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,5.1870503,0.840619672
Chenodeoxycholic acid glycine conjugate,[H][C@@]12C[C@H](O)CC[C@]1(C)C1CC[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O,5.193901,5.011169985
"Androst-5-ene-3b,17b-diol",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,5.1963587,14.85299617
N-Acetyl-glucosamine 1-phosphate,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1OP(O)(O)=O,5.202068,0.728919543
Beta-Guanidinopropionic acid,NC(=N)NCCC(O)=O,5.2038674,0.946862437
"5,6-trans-Vitamin D3",CC(C)CCC[C@@H](C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C,5.2089853,12.09667772
Pregnenolone sulfate,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O,5.2095494,11.38239801
Arginylaspartic acid,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O,5.2106423,0.307823624
Entacapone,CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N,5.212433,4.436280578
Inodxyl glucuronide,O[C@@H]1[C@@H](O)[C@H](OC2=CNC3=CC=CC=C23)O[C@@H]([C@H]1O)C(O)=O,5.218578,1.138461009
UDP-D-apiose,OC[C@@]1(O)CO[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1O,5.224365,0.403420161
"3-Hydroxy-N6,N6,N6-trimethyl-L-lysine",C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O,5.227757,6.790080667
Phenylacetyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC1=CC=CC=C1,5.2310767,1.197398081
Celastrol,[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(O)=O,5.2357025,4.93391864
"3a,20b-Pregnanediol",[H][C@@]12CC[C@H]([C@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@H](O)CC[C@]12C,5.2374105,15.19502103
Se-Methylselenocysteine,C[Se]C[C@H](N)C(O)=O,5.2411633,4.663642496
6-Hydroxy-5-methoxyindole glucuronide,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2NC=CC2=C1,5.242366,1.530359313
"4a-Methyl-5a-cholesta-8,24-dien-3-one",[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,5.245255,6.851694733
"7a,12b-dihydroxy-5b-Cholan-24-oic acid",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O,5.246111,5.72976619
Shikimic acid,O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O,5.252727,2.08234936
16b-Hydroxyestradiol,[H][C@@]12C[C@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,5.2557874,10.70227399
Sinapinic acid-O-glucuronide isomer,COC1=CC(\C=C\C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC(OC)=C1O,5.2625875,0.971531868
"N6,N6,N6-Trimethyl-L-lysine",C[N+](C)(C)CCCC[C@H](N)C([O-])=O,5.2828393,18.37972701
Sphinganine 1-phosphate,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O,5.2835975,1.936326176
Coenzyme A,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,5.3011966,0.295329699
Molybdopterin-AMP,NC1=NC2=C(NC3C(N2)OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC4=C2N=CN=C4N)C(S)=C3S)C(=O)N1,5.307316,0.882407371
L-Alanine,C[C@H](N)C(O)=O,5.3099823,5.102916807
2-(a-Hydroxyethyl)thiamine diphosphate,CC(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,5.316576,0.946052
Cysteamine,NCCS,5.3199534,15.51816612
Valdecoxib,CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O,5.3210964,15.62124789
Ethanolamine,NCCO,5.3248386,7.169600576
N-Methylputrescine,CNCCCCN,5.3255315,12.25924492
Norspermidine,NCCCNCCCN,5.3348956,5.039021373
Quetiapine,OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12,5.336239,12.27342486
Taurolithocholic acid 3-sulfate,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(=O)NCCS(O)(=O)=O,5.34776,2.623000927
"5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide",COC1=C(O)C(O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)=CC(CC2CCC(=O)O2)=C1,5.3503485,0.870526489
Nicotinate D-ribonucleoside,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[N+]1=CC(=CC=C1)C(O)=O,5.350766,3.880838305
D-Alpha-aminobutyric acid,CC[C@@H](N)C(O)=O,5.358337,8.481062949
VPGPR Enterostatin,CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O,5.359337,0.215408485
"1,3-Diaminopropane",NCCCN,5.372618,7.330211997
Poly-g-D-glutamate,N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O,5.3749137,0.222950825
5-Methylcytosine,CC1=C(N)NC(=O)N=C1,5.3773375,5.003812909
"7-a,25-Dihydroxycholesterol",[H][C@@]12CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C,5.3801665,8.668600768
Nicotine glucuronide,CN1CCC[C@H]1C1=C[N+](=CC=C1)[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O,5.3829875,4.541058838
"PI(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,5.3869963,1.000629738
Ethylamine,CCN,5.397271,32.94301927
"P1,P4-Bis(5'-adenosyl) tetraphosphate",NC1=NC=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)C(O)C1O,5.398186,1.009093039
Pterin,NC1=NC2=NC=CN=C2C(=O)N1,5.404192,2.367457561
Naproxen,COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O,5.4057226,24.23129976
Oleanolic acid,CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O,5.4189925,3.060156293
Methylamine,CN,5.423272,23.04233015
Dihyroxy-1H-indole glucuronide I,O[C@H]1[C@H](O)[C@@H](OC2=CC3=C(C=CN3)C=C2O)O[C@H]([C@@H]1O)C(O)=O,5.423982,0.921033882
Pectic acid,O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O,5.426684,0.610644929
Dimethylamine,CNC,5.4273596,30.15711606
"5alpha-Pregnan-3beta,20alpha-diol disulfate",[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)OS(O)(=O)=O,5.454065,3.506730869
Tuftsin,C[C@@H](O)[C@H](N)C(=O)NC(CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,5.461514,0.19561185
Sulfolithocholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](CC[C@]12C)OS(O)(=O)=O,5.4728494,5.650136992
Prostaglandin F2b,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C\C=C/CCCC(O)=O,5.4819293,5.244977027
27-Norcholestanehexol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO,5.4844813,3.846720606
D-Alanine,C[C@@H](N)C(O)=O,5.486302,5.102916807
3-Fucosyllactose,C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,5.498473,0.143313408
L-Glutamic-gamma-semialdehyde,N[C@@H](CCC=O)C(O)=O,5.5047617,7.423831522
Norvaline,CCC[C@@H](N)C(O)=O,5.5074763,9.072119743
Glycyrrhetinic acid,CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O,5.5150313,3.484269232
Retinoyl CoA,OC(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)O)N1C=NC2=C1N=CN=C2N)C(=O)NCCC(=O)NCCSC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,5.521817,2.146613598
Alanyl-Histidine,CC(N)C(O)=NC(CC1=CN=CN1)C(O)=O,5.523436,1.909853145
"D-Glucurono-6,3-lactone",O[C@@H]1O[C@@H]2[C@@H](O)C(=O)O[C@@H]2[C@H]1O,5.5297213,2.163944207
"4,4-Dimethyl-5a-cholesta-8-en-3b-ol",[H][C@@](C)(CCCC(C)C)[C@@]1([H])CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3,5.5316286,8.070269227
L-Cysteine,N[C@@H](CS)C(O)=O,5.5325236,7.708572596
L-Homocystine,NC(CCSSCC[C@H](N)C(O)=O)C(O)=O,5.534549,0.494302064
Asparaginylcysteine,N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(O)=O,5.536355,0.447622454
"3a,6a,7b-Trihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,5.5385075,4.317066818
Threonylalanine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(O)=O,5.5459743,1.77665893
Deoxycholic acid glycine conjugate,[H][C@]12CCC3C4CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]4(C)[C@@H](O)CC3[C@@]1(C)CC[C@@H](O)C2,5.556492,5.413836986
"CE(22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,5.572208,1.608305611
3'-phosphonato-5'-adenylyl Sulfate(4-),NC1=C2N=CN(C3OC(COP(O)(=O)OS(O)(=O)=O)C(OP(O)(O)=O)C3O)C2=NC=N1,5.5739646,0.629843818
APGPR Enterostatin,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O,5.5778117,0.251780055
Adenosine thiamine triphosphate,CC1=C(CCOP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)SC=[N+]1CC1=CN=C(C)N=C1N,5.581725,1.619209908
L-Aspartate-semialdehyde,N[C@@H](CC=O)C(O)=O,5.5850635,6.904506683
3-Methoxy-4-hydroxyphenylglycol glucuronide,COC1=CC(=CC=C1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)CO,5.602541,0.581442518
D-Glucuronic acid,O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,5.614225,0.610644929
Adenosine thiamine diphosphate,CC1=C(CCOP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)SC=[N+]1CC1=CN=C(C)N=C1N,5.6315026,1.074160542
L-Homoserine,N[C@@H](CCO)C(O)=O,5.6393833,5.831801519
Sorbose 1-phosphate,OC[C@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O,5.642247,0.197055726
"4E,15Z-Bilirubin IXa",CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N1,5.6440787,0.630932488
N-Acetyl-7-O-acetylneuraminic acid,CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](OC(C)=O)[C@H](O)CO)C(O)=O,5.6458144,0.3126011
Bilirubin,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1,5.6458383,0.630932488
L-Glutamine,N[C@@H](CCC(N)=O)C(O)=O,5.645887,1.485568192
Cytidine triphosphate,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,5.648727,0.367978518
D-Glutamine,N[C@H](CCC(N)=O)C(O)=O,5.649767,1.485568192
gamma-Glutamyllysine,NCCCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,5.6543307,0.18486355
Phosphocreatine,CN(CC(O)=O)C(=N)NP(O)(O)=O,5.658579,0.621605711
16-Dehydroprogesterone,[H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,5.6750693,12.95303255
Homocitrulline,N[C@@H](CCCCNC(N)=O)C(O)=O,5.681985,0.301458989
"2,4-Diaminobutyric acid",NCCC(N)C(O)=O,5.6897764,3.135120496
Glucosylceramide (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,5.695059,2.449155413
4-methoxyestrone,COC1=C(O)C=CC2=C1CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21,5.705121,21.46539688
dTDP-D-galactose,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O,5.7069206,0.567402598
L-Asparagine,N[C@@H](CC(N)=O)C(O)=O,5.716962,1.859265193
dTDP-D-glucose,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O,5.7223988,0.567402598
Citrulline,N[C@@H](CCCNC(N)=O)C(O)=O,5.7261357,0.330815651
CDP,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,5.730223,0.405211141
L-Gulonolactone,[H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO,5.7408032,2.043326385
O-Ureidohomoserine,NC(CCONC(O)=N)C(O)=O,5.755107,0.307637779
Lysyl-Glycine,NCCCCC(N)C(O)=NCC(O)=O,5.7571263,0.507452944
Homocysteine,N[C@@H](CCS)C(O)=O,5.759959,8.528770506
N-Acetyl-9-O-acetylneuraminic acid,CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)COC(C)=O)C(O)=O,5.764679,0.282960269
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine,O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)O[C@H]1NC(=N)NC=O,5.76519,1.134738326
Hydroxypropionic porphyrin III,CC1=C(CCC(O)=O)C2=N\C\1=C/C1=C(CC(O)=O)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C3\N/C(=C\2)C(CCC(O)=O)=C3CC(O)=O)C(CCC(O)=O)=C1CC(O)=O,5.775115,2.220031433
"2,3-Epoxyaflatoxin B1",[H][C@]12O[C@@H]3O[C@@H]3[C@@]1([H])C1=C(O2)C=C(OC)C2=C1OC(=O)C1=C2CCC1=O,5.785932,12.32825592
"7a,12a-Dihydroxy-5a-cholestan-3-one",[H]C(C)(CCCC(C)C)C1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)CC4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC([H])(O)[C@]12C,5.7979674,9.929630905
dGTP,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,5.8110156,0.462353881
2-Keto-3-deoxy-D-gluconic acid,[H][C@@](O)(CO)[C@@]([H])(O)CC(=O)C(O)=O,5.8131723,1.676927134
Uroporphyrin I,OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(O)=O)/C(CC(O)=O)=C3CCC(O)=O,5.8163543,1.779188961
Heptacarboxylporphyrin I,CC1=C(CCC(O)=O)\C2=C\C3=C(CC(O)=O)C(CCC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N\C(=C/C1=N2)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O,5.818364,2.220031433
Galabiosylceramide (d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,5.819715,1.307153143
Uroporphyrin III,OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4CC(O)=O)/C(CC(O)=O)=C3CCC(O)=O,5.8209934,1.779188961
Pentacarboxyl porphyrinogen III,CC1=C(CCC(O)=O)C2=NC1CC1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C3\N\C(=C/2)C(CCC(O)=O)=C3CC(O)=O)C(CCC(O)=O)=C1C,5.8225036,1.188996341
Aspartylysine,NCCCC[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O,5.823245,0.359264622
Uroporphyrin IV,OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CC(O)=O)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(O)=O)/C(CCC(O)=O)=C3CC(O)=O,5.8256946,1.779188961
"Cholestane-3,7,12,25-tetrol-3-glucuronide",[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O,5.828178,0.83543621
gamma-Glutamylproline,N[C@@H](CCC(=O)N1CCC[C@H]1C(O)=O)C(O)=O,5.8299255,3.004762344
Lactosylceramide (d18:1/16:0),[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,5.8308263,1.421426609
Cysteinyl-Asparagine,NC(CS)C(O)=NC(CC(O)=N)C(O)=O,5.8391447,0.409403164
Vitamin D3,CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,5.8411655,12.09667772
Citicoline,C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,5.844919,1.011530403
N(5)-ethyl-L-glutamine,[H][C@](N)(CCC(O)=NCC)C(O)=O,5.8514547,2.174329758
Lysyl-Lysine,NCCCCC(N)C(O)=NC(CCCCN)C(O)=O,5.856779,0.296672527
Phytosphingosine-1-P,CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@H](N)COP(O)(O)=O,5.8575807,0.866115373
L-Homocysteine sulfonic acid,N[C@@H](CCS)S(O)(=O)=O,5.8602643,4.740733281
"N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole",CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](CO)C(O)C1O,5.8676434,4.951417446
Methionyl-Asparagine,CSCCC(N)C(O)=NC(CC(O)=N)C(O)=O,5.8702073,0.443193922
7 alpha-Hydroxy-3-oxo-4-cholestenoate,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C(O)=O,5.872749,9.056076407
Dimethylaniline-N-oxide,C[N+](C)([O-])C1=CC=CC=C1,5.873766,41.84385538
Arginylserine,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(O)=O,5.887656,0.349022867
Nicotinic acid mononucleotide,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC=CC(C1)C(O)=O,5.9009147,1.812988706
Neurotensin 11-13,CCC(C)[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CC(C)C)C(O)=O,5.9125957,0.473065488
2-O-(6-Phospho-alpha-mannosyl)-D-glycerate,OC[C@@H](O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O,5.9264774,0.283848937
Pyridoxamine,CC1=C(O)C(CN)=C(CO)C=N1,5.9275064,6.107613444
L-Norleucine,CCCC[C@H](N)C(O)=O,5.929373,6.977814436
Galactonolactone,O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@H]1O,5.9313,2.411753684
Biotripyrrin-a,CC1=C(CCC(O)=O)\C(NC1=O)=C/C1=C(CCC(O)=O)C(C)=C(N1)\C=C1\NC(=O)C(C)=C1C=C,5.9336233,0.980774965
Biotripyrrin-b,CC1=C(CCC(O)=O)\C(NC1=O)=C/C1=C(CCC(O)=O)C(C)=C(N1)\C=C1\NC(=O)C(C=C)=C1C,5.944586,0.980774965
Arginylcysteine,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(O)=O,5.952615,0.623481162
Peroxyacetic acid uroporphyrin III,OOC(=O)CCC1=C(CC(O)=O)\C2=C\C3=C(CC(O)=O)C(CCC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N\C(=C/C1=N2)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O,5.9723635,1.575627737
"Glyceric acid 1,3-biphosphate",O[C@H](COP(O)(O)=O)C(=O)OP(O)(O)=O,5.9758835,0.825556833
Phenol glucuronide,O[C@@H]1[C@@H](O)[C@H](OC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,5.97792,3.200790286
Lactosylceramide (d18:1/24:0),[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,5.980932,1.307153143
Mesohydroxy uroporphyrin III,OC(C(O)=O)C1=C2NC(\C=C3/N=C(/C=C4\N=C(\C=C5/N\C(=C/2)C(CCC(O)=O)=C5CC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O,5.985862,1.575627737
Beta-Cortol,[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,5.9999475,3.203386441
1-Hydroxypyrene glucuronide,O[C@@H]1[C@@H](O)[C@H](OC2=C3C=CC4=CC=CC5=C4C3=C(C=C2)C=C5)O[C@@H]([C@H]1O)C(O)=O,6.0057054,3.191078827
3-Dehydro-L-gulonate,OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O,6.0074134,1.189006213
"5a-Pregnane-3,20-dione",[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,6.0129995,18.92036945
Beta-D-ribopyranose,O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O,6.0147104,3.784263879
FAPy-adenine,O=C1CC(=NN1C1=CC=C(C=C1)N(=O)=O)C1=CC=CC=C1,6.015877,18.77157986
N(6)-Methyllysine,CNCCCC[C@H](N)C(O)=O,6.019749,4.942841828
"4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-{2-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl}-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol",[H]C(=C([H])C1=CC(O)=CC2=C1C(C(O2)C1=CC=CC=C1)C1=CC(O)=CC=C1)C1=CC2=C(OC(C2C2=C3C(C(OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C2=CC(O)=C(O)C=C2)C=C1,6.026864,0.698934263
Pseudouroporphyrin,CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CC(O)=O)=C3CCC(O)=O)=C1CCC(O)=O,6.033247,2.220031433
Heptacarboxylporphyrin III,CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5CCC(O)=O)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O,6.0447087,2.220031433
"3a,7a-Dihydroxy-5b-cholestan-26-al",CC(CCCC(C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C=O,6.049346,10.77206209
Harderoporphyrin,CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C(C)=C3CCC(O)=O)=C1CCC(O)=O,6.053961,2.3497371
"17-alpha,20-alpha-Dihydroxypregn-4-en-3-one",[H][C@@]12CC[C@](O)([C@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,6.070211,14.20986056
Glucosamine 6-sulfate,N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O,6.070996,0.475845765
"5a-Cholestane-3a,7a,12a,23,25-pentol",[H][C@@]12CC[C@H]([C@@H](C)CC(O)CC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C,6.0730114,3.473017737
3 beta-Hydroxy-5-cholestenoate,C[C@H](CCCC(C)C(O)=O)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,6.079488,8.883391321
"3b,7a,12a-Trihydroxy-5a-Cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C,6.0921135,4.317066818
Prostaglandin D1,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)[C@@H](O)CC1=O,6.0936403,6.841541082
Porphinehexacarboxylic acid,CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4CC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CCC(O)=O,6.096916,1.971032657
Hydroxyacetic acid uroporphyrin III,OC(CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CCC(O)=O)=C3CC(O)=O)=C1CC(O)=O)C(O)=O,6.0997887,1.026375964
Formamidopyrimidine nucleoside triphosphate,NC1=NC(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)=C(NC=O)C(=O)N1,6.1005526,0.326748705
4a-Methylzymosterol-4-carboxylic acid,C[C@@H](CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(C1CC3)C(O)=O,6.117899,4.399387538
12a-Hydroxy-3-oxocholadienic acid,C[C@H](CCC(O)=O)C1CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C,6.12581,12.43523285
Tetrahydrocortisol,C[C@]12C[C@H](O)C3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO,6.1462936,8.868803829
Cotinine methonium ion,CN1C(CCC1=O)C1=C[N+](C)=CC=C1,6.15332,12.42435575
"4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol",CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)C1CC3,6.1632667,8.796791732
"5,6-Dihydroxyprostaglandin F1a",CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(O)C(O)CCCC(O)=O,6.165322,0.591292791
Equol,OC1=CC=C(C=C1)[C@H]1COC2=CC(O)=CC=C2C1,6.1658688,16.5359512
S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione,CCCCC[C@H](O)CC(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H]1C(O)CC[C@@H]1C\C=C/CCCC(O)=O,6.1720505,0.936644524
dGDP,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,6.172848,1.366788894
D-Fructose,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,6.182762,1.658561081
S-(9-deoxy-delta12-PGD2)-glutathione,CCCCC[C@H](O)CC(SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H]1[C@@H](C\C=C/CCCC(O)=O)CCC1=O,6.188376,0.781194447
2-Deoxygalactopyranose,OC[C@H]1OC(O)C[C@@H](O)[C@H]1O,6.1887546,3.838483989
"(3S)-3,6-Diaminohexanoate",NCCC[C@H](N)CC(O)=O,6.1899567,1.783913933
CDP-glucose,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,6.1924415,0.389324012
6-Keto-prostaglandin F1a,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O,6.19539,2.057900466
L-Canaline,NOCC[C@H](N)C(O)=O,6.195993,1.631923392
Guanosine triphosphate,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,6.2102475,0.385244656
"7 alpha,24-Dihydroxy-4-cholesten-3-one",CC(C)C(O)CC[C@@H](C)C1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,6.21197,10.52624956
"2,5-Diaminopyrimidine nucleoside triphosphate",NC1=NC(N[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)=C(N)C(=O)N1,6.223406,0.353357219
Asparaginylalanine,C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(O)=O,6.234363,0.563141331
Chenodeoxyglycocholic acid,CC(CCC(=O)NCC(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C,6.239126,5.011169985
Gonadotropin releasing hormone,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)C(CC1=CN=CN1)NC(=O)C(N)CCC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O,6.240716,1.090078708
3-Keto-b-D-galactose,OC[C@H]1O[C@@H](O)[C@H](O)C(=O)[C@H]1O,6.2499313,3.251444921
"1,3,12-Trihydroxycholan-24-oic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])CCC2CC(O)CC(O)[C@]12C,6.2512045,4.317066818
"D-Xylono-1,5-lactone",O[C@@H]1COC(=O)[C@H](O)[C@H]1O,6.252352,3.365208581
Xestoaminol C,[H][C@@](C)(N)[C@]([H])(O)CCCCCCCCCCC,6.257722,17.12746173
"ADP-ribose 1""-2"" cyclic phosphate",NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC3OP(O)(=O)OC3C2O)[C@@H](O)[C@H]1O,6.259664,0.673050294
Estriol-3-glucuronide,C[C@]12CCC3C(CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)C1C[C@@H](O)[C@@H]2O,6.267877,0.87084081
S-(PGJ2)-glutathione,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C(CC1=O)SC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O,6.268931,0.708913663
"chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3",CC1=NN(C(N)=C1)C1=CC=C(Cl)C=C1,6.277656,19.62525249
N-Sulfo-D-glucosamine,OC[C@H]1O[C@@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O,6.2839117,0.426144851
Histidylaspartic acid,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(O)=O,6.288203,1.157382689
Neuromedin C,CSCC[C@@H](NC(=O)C(CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=O,6.2910695,0.763483578
Histidylglutamic acid,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,6.2960525,0.992393401
L-Arabitol,OC[C@H](O)C(O)[C@@H](O)CO,6.2999783,2.148172446
L-Arabinose,O[C@H]1COC(O)[C@H](O)[C@H]1O,6.3076286,3.784263879
Glucosamine,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,6.3138027,1.071558148
Trimethylpyrazine,CC1=NC(C)=C(C)N=C1,6.316381,41.88481867
N-Acetyl-4-O-acetylneuraminic acid,[H]C(O)(CO)[C@@]([H])(O)[C@]1([H])O[C@@](O)(C[C@]([H])(OC(C)=O)[C@@]1([H])N=C(C)O)C(O)=O,6.3308206,0.385764753
"21-Hydroxy-5b-pregnane-3,11,20-trione",[H][C@@]12CCC(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,6.3313136,16.14528149
Glutaminylalanine,C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O,6.3342876,0.282240892
Histidylasparagine,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(N)=O)C(O)=O,6.3353543,0.648101931
Aminopterin,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)C=N2)C(N)=N1,6.335806,0.690651778
Histidylglutamine,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(O)=O,6.3359737,1.050932053
Pregnenolone,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O,6.3366203,21.34405375
Lactosylceramide (d18:1/18:0),[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,6.3452907,1.421426609
D-Ribose,OC[C@H]1OC(O)[C@H](O)[C@@H]1O,6.348512,3.784263879
"3b,7b,12a-Trihydroxy-5a-Cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C,6.3493934,4.317066818
Ribonolactone,OC[C@H]1OC(=O)[C@H](O)[C@@H]1O,6.3524013,3.174352273
"13,14-Dihydro PGF-1a",CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O,6.359916,4.996728525
Not Found,OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](C)C(NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1NC(=O)C,6.3648787,1.31199481
Nicotine imine,C[N+]1=CCCC1C1=CC=CN=C1,6.380317,52.39962935
Hypothiocyanite,OSC#N,6.419069,29.17473912
Deoxyribose,OC[C@@H]1O[C@H](O)C[C@H]1O,6.419506,7.617516816
N-Methylnicotinium,CN1CCCC1C1=CC=C[N+](C)=C1,6.4196596,29.97385263
Disialosyl galactosyl globoside,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)[C@@H](NC(C)=O)C=O)C(O)=O)[C@H](O)[C@H](O)CO,6.42361,0.585194537
dATP,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,6.4275913,0.719140423
D-Xylose,O[C@@H]1COC(O)[C@H](O)[C@H]1O,6.443822,3.784263879
Beta-Aminopropionitrile,NCCC#N,6.4558687,15.44865966
"19-Oxoandrost-4-ene-3,17-dione",[H]C12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C=O,6.461152,25.40875673
"7a-Hydroxyandrost-4-ene-3,17-dione",[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C,6.4686155,21.74144387
Gamma-Glutamylcysteine,N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O,6.468747,1.827586256
N-Acetylgalactosamine 6-sulfate,CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)COS(O)(=O)=O,6.47468,0.793668907
1-Deoxy-D-xylulose,OC[C@@H]1OC[C@@H](O)[C@@H]1O,6.484575,6.537547708
Calcitriol,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,6.4909062,4.556181282
"1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide",NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,6.4926114,3.111344762
N4-Acetylcytidine,CC(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,6.4946322,3.085645847
Diadenosine hexaphosphate,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1,6.5074744,0.929230638
"3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane",CC(CO)CCC[C@@H](C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C,6.5146484,9.991038591
GDP-glucose,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,6.518272,0.453380402
"1D-Myo-inositol 1,3,4,6-tetrakisphosphate",O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,6.518616,0.294476328
"19-Hydroxyandrost-4-ene-3,17-dione",[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12CO,6.5200477,21.68834656
ADP-ribose 2'-phosphate,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O,6.5238557,0.601801462
Diadenosine tetraphosphate,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1,6.5382314,1.009093039
Varanic acid,[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](O)[C@@H](O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,6.5394225,4.691915959
Arabinofuranose,OC[C@@H]1OC(O)[C@H](O)[C@H]1O,6.539699,3.784263879
PIP3(18:0/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,6.54141,1.887632906
L-a-glutamyl-L-Lysine,NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,6.5414667,0.18486355
Guanosine diphosphate mannose,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1,6.5434184,0.453380402
Pentosidine,N[C@@H](CCCCN1C=CC=C2N=C(NCCC[C@H](N)C(O)=O)N=C12)C(O)=O,6.5500264,0.32696519
Gamma-Glutamyltyrosine,N[C@@H](CCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(O)=O,6.550454,0.684496481
Glucose 6-phosphate,OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,6.5520144,0.556949386
trans-3-Hydroxycotinine glucuronide,[H][C@]1(C[C@@]([H])(N(C)C1=O)C1=CN=CC=C1)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,6.562259,2.339733392
"3b,5a,6b-Cholestanetriol",[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12C,6.565886,9.51878354
PIP3(16:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,6.5662594,1.887632906
Hydroxyproline,O[C@H]1CN[C@@H](C1)C(O)=O,6.5673327,5.641436949
Cytidine 2'-phosphate,NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O,6.57551,0.879869703
Glutamyltyrosine,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,6.575896,0.684496481
Ganglioside GA1 (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,6.5835037,1.717427559
L-Methionine,CSCC[C@H](N)C(O)=O,6.583612,6.670097262
Cyanate,OC#N,6.5922103,22.30911851
Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate pyrophosphate,OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1NC(=O)C,6.6010494,1.457343809
Glutaminyltyrosine,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,6.6052575,0.649405411
"(24R)-Cholest-5-ene-3-beta,24-diol",[H][C@@]12CCC([C@H](C)CC[C@@H](O)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,6.605912,10.68227515
ADP-Mannose,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,6.6114235,0.453380402
Inositol phosphate,O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,6.613323,0.440196833
"2,5-Dimethylpyrazine",CC1=CN=C(C)C=N1,6.61853,43.90366077
Adenosine tetraphosphate,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,6.6188536,0.655581709
"Fructose 1,6-bisphosphate",O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,6.622673,0.288735121
Phosphoribosyl pyrophosphate,O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O,6.622809,0.300386967
ADP-glucose,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,6.623278,0.453380402
Cis-zeatin-7-N-glucoside,C\C(CO)=C/CNC1=C2N(C=NC2=NC=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,6.626898,0.781719573
Fucosyllactose,CO[C@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O,6.6313,0.184073416
Hematoporphyrin IX,CC(O)C1=C2NC(\C=C3/N\C(=C/C4=N/C(=C\C5=N\C(=C/2)\C(C)=C5C(C)O)/C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C,6.6322455,1.091319695
Phosphatidylserine,[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC)OC(=O)CCC)C(O)=O,6.633885,0.461722119
Androstenedione,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,6.6350536,27.73605585
12-Ketodeoxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)[C@H](C)CCC(O)=O,6.635447,9.055538476
Phenylalanylaspartic acid,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(O)=O)C(O)=O,6.6424847,2.878306806
CE(14:0),[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCC)[C@H](C)CCCC(C)C,6.6496167,1.885829866
"5,10-Methylene-THF",[H][C@@]12CN(CN1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O,6.6521235,0.442249654
Berberine,COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC,6.6638007,20.19840479
Phenylalanylasparagine,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(N)=O)C(O)=O,6.667627,0.870204158
Ornithine,NCCC[C@H](N)C(O)=O,6.672843,2.085762098
Gluconolactone,OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O,6.673814,2.043326385
"7,8-Dihydropteroic acid",NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(O)=O)CN2)C(=O)N1,6.6776257,1.952303387
"3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@@H](O)CC[C@]12C,6.681345,3.721470758
Ceramide (t18:0/16:0),[H][C@](O)(CCCCCCCCCCCCCC)[C@@]([H])(O)[C@]([H])(CO)N=C(O)CCCCCCCCCCCCCCC,6.682688,4.029830918
Phosphoribosyl-AMP,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN([C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N,6.689672,0.438781502
Diguanosine hexaphosphate,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1,6.692348,0.694167661
Phenylalanylglutamic acid,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,6.6927705,1.472403295
Rhamnose,C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O,6.71065,2.844278514
D-Cysteine,N[C@H](CS)C(O)=O,6.711134,7.708572596
Diguanosine tetraphosphate,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1,6.712597,0.785542373
Hexadecasphinganine,[H][C@](N)(CO)[C@]([H])(O)CCCCCCCCCCCCC,6.714704,11.39829531
Glutaminyltryptophan,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,6.7160544,2.315783314
Indole,N1C=CC2=C1C=CC=C2,6.7171397,37.16107905
Phenylalanylglutamine,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(N)=O)C(O)=O,6.719601,0.540768635
Guanidine,NC(N)=N,6.719641,2.868257277
Diadenosine triphosphate,NC1=C2N=CN([C@H]3O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@H](O)[C@@H]3O)C2=NC=N1,6.7255783,1.056078076
Agmatine,NCCCCNC(N)=N,6.7259445,1.444807649
L-4-Hydroxyglutamate semialdehyde,N[C@@H](C[C@@H](O)C=O)C(O)=O,6.729373,2.077857964
"CE(20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1,6.730982,2.193001658
"11b-Hydroxyandrost-4-ene-3,17-dione",[H][C@@]12CCC(=O)[C@@]1(C)CC([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,6.7337265,21.74144387
Estriol-16-Glucuronide,C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@@H]2O,6.73777,0.94223693
Methylguanidine,CNC(N)=N,6.7402062,5.951838195
Glucosamine-1P,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OP(O)(O)=O,6.750527,0.365559687
Dimethylbenzimidazole,CC1=CC2=C(C=C1C)N=CN2,6.751497,17.03053117
Sphingosine 1-phosphate,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O,6.763668,1.735000685
3-Methylene-indolenine,C=C1C=NC2=CC=CC=C12,6.778151,65.07031322
CE(20:3),CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1,6.7828245,2.193001658
Histidylserine,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CO)C(O)=O,6.7835,1.368086692
L-Gulose,OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,6.7957907,1.781210862
N-Formyl-L-methionine,CSCC[C@@H](NC=O)C(O)=O,6.796989,8.592234552
L-Lysine,NCCCC[C@H](N)C(O)=O,6.804888,1.781235822
6-Dehydrotestosterone glucuronide,[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,6.805803,2.45266147
"2,3-Diaminopropionic acid",NC[C@H](N)C(O)=O,6.8130484,3.086686879
4-(Methylamino)benzoic acid,CNC1=CC=C(C=C1)C(O)=O,6.8206615,20.27995735
D-Tagatose,OC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,6.8229523,1.732090861
Methyl bisnorbiotinyl ketone,[H][C@]12CS[C@@H](CCC(C)=O)[C@@]1([H])NC(=O)N2,6.8525214,8.150473237
Phenylalanylserine,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(O)=O,6.8689137,3.020033054
Mannose 6-phosphate,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,6.8697233,0.556949386
Isoquinoline,C1=CC=C2C=NC=CC2=C1,6.874077,59.4774425
Dimethyltryptamine,CN(C)CCC1=CNC2=CC=CC=C12,6.87443,16.64592773
Thiocysteine,N[C@H](CSS)C(O)=O,6.88111,8.250722289
Biotin,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2,6.8855333,8.474263549
Diadenosine heptaphosphate,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,6.886734,0.891714916
N-Methyltryptamine,CNCCC1=CNC2=CC=CC=C12,6.890557,15.82439244
Biotin sulfone,[H][C@]12CS(=O)(=O)[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2,6.8940334,3.038420156
Bisnorbiotin,[H][C@]12CS[C@@H](CCC(O)=O)[C@@]1([H])NC(=O)N2,6.9031644,6.135969236
Pravastatin,[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,6.9093432,1.562902145
gamma-Glutamylhistidine,N[C@@H](CCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O)C(O)=O,6.9128804,0.992393401
"O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)OC=C2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O,6.912889,0.134976814
Tryptamine,NCCC1=CNC2=C1C=CC=C2,6.9213653,14.91202712
Glutamylphenylalanine,N[C@@H](CCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C(O)=O,6.925335,1.472403295
GDP-L-fucose,C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H](O)[C@@H]1O,6.9262514,0.507057318
"L-2,4-diaminobutyric acid",NCC[C@H](N)C(O)=O,6.9320765,3.135120496
Nicotinic acid adenine dinucleotide,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,6.936944,1.038105879
Biocytin,[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2,6.9385576,0.510645797
Glucosan,[H][C@@]12OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H]2O,6.946911,5.9933763
Biotin amide,[H][C@@]12CS[C@H](CCCCC(N)=O)[C@]1([H])NC(=O)N2,6.951425,9.011032432
Retinoyl b-glucuronide,O[C@@H]1[C@@H](O)[C@@H](O[C@H](C(O)=O)[C@H]1O)OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,6.9520655,1.958286576
"CE(18:3(6Z,9Z,12Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,6.956351,2.156673186
Deoxycytidine,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1,6.958659,3.931376711
Sertraline,CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,6.9596696,10.25407314
4-Aminobiphenyl,NC1=CC=C(C=C1)C1=CC=CC=C1,6.968412,21.18120044
Uridine diphosphate glucose,OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,6.974192,0.354350335
"1,5-Anhydrosorbitol",OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O,6.978657,3.708233312
"3a,7b,12a-Trihydroxy-5a-Cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C,6.9874167,4.317066818
Indoxyl,OC1=CNC2=CC=CC=C12,6.9935412,22.2217679
Lysylproline,NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=O,7.0018134,3.557423875
NADPH,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,7.003871,1.29945986
Ercalcitriol,C[C@H](\C=C\[C@H](C)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,7.004123,3.869704902
Guanosine hexaphosphate adenosine,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,7.0061846,0.929230638
Diadenosine diphosphate,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)N4C=NC5=C(N)N=CN=C45)[C@@H](O)[C@H]3O)C2=NC=N1,7.0064745,0.875512697
Aldrin,[H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@@]2([H])[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl,7.0073442,8.980000764
Guanosine diphosphate adenosine,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,7.007779,1.03494525
6-Phosphogluconic acid,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,7.0103297,0.308268378
NAD,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,7.0171766,1.09156929
"PI(18:2(9Z,12Z)/18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,7.020843,1.151447278
NADP,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,7.02827,1.089597028
Glycoursodeoxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O,7.0576954,5.011169985
N-Acetyl-leukotriene E4,CCCCC\C=C/C\C=C/C=C/C=C/[C@H](SC[C@@H](NC(C)=O)C(O)=O)[C@H](O)CCCC(O)=O,7.058193,2.855494991
CDP-Ethanolamine,NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,7.058964,0.5098355
2'-Deoxysepiapterin,CCC(=O)C1=NC2=C(NC1)NC(N)=NC2=O,7.060172,3.781259432
3-Deoxyarabinohexonic acid,OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O,7.061495,1.245240308
Histidylcysteine,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CS)C(O)=O,7.064537,2.141960338
25-Hydroxycholesterol,[H][C@@](C)(CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)C3([H])CC[C@]12C,7.077044,11.6497919
Leukotriene D4,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SCC(N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,7.0833597,0.569475256
Postin,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,7.0860534,0.150278152
Arabinonic acid,OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O,7.0954285,1.087143645
Ecgonine,CN1C2CCC1[C@H]([C@@H](O)C2)C(O)=O,7.0989094,7.847437263
"14R,15S-EpETrE",CCCCC[C@@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/CCCC(O)=O,7.100224,10.09646505
Dimethylprotoporphyrin IX dimethyl ester,COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(=O)OC)=C5C)C(C)=C4C=C)C(C)=C3C=C)=C1C,7.10591,3.102595545
Alanylproline,C[C@H](N)C(=O)N1CCC[C@H]1C(O)=O,7.1099415,6.417998672
Gamma-Glutamylglutamine,N[C@@H](CCC(=O)N[C@@H](CCC(N)=O)C(O)=O)C(O)=O,7.1264935,0.303654931
Phenylalanylcysteine,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CS)C(O)=O,7.1286035,2.832462825
GDP-4-Dehydro-6-L-deoxygalactose,C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OCC2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H](O)C1=O,7.1293473,0.428991346
1-Methylxanthine,CN1C(=O)NC2=C(NC=N2)C1=O,7.132122,6.241680309
7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,7.135232,9.055538476
D-Mannose,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,7.1391916,1.781210862
"24,25-Dihydrolanosterol",[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3,7.1396804,5.636781827
Acetyl adenylate,CC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,7.1521807,1.266639214
7-Dehydrocholesterol,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,7.1642613,18.15123409
Propinol adenylate,CCC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,7.17499,0.799750444
Uridine diphosphategalactose,OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O,7.181399,0.354350335
CE(5:0),[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCC)[C@H](C)CCCC(C)C,7.1825724,2.849922702
PIP2(20:1(11Z)/16:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,7.186286,1.887632906
Cytidine,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,7.192855,1.327856816
L-Sorbose,OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O,7.195757,1.732090861
(-)-alpha-Pinene,CC1=CC[C@H]2C[C@@H]1C2(C)C,7.196236,23.19765538
UDP-D-galacturonate,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,7.1964574,0.354500883
Glucose 1-phosphate,OC[C@H]1OC(OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,7.2039604,0.456651207
9'-Carboxy-gamma-chromanol,C[C@H](CCC[C@H](C)C(O)=O)CCC[C@]1(C)CCC2=CC(O)=C(C)C(C)=C2O1,7.2077827,11.31286323
Muramic acid,C[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O,7.2123165,0.683877012
Kentsin,C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O,7.21354,0.19561185
Glycocholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C,7.2198772,2.839206159
"5-b-Cholestane-3a ,7a ,12a-triol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C,7.2217116,10.45021042
Prostaglandin I2,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(C[C@H]12)=CCCCC(O)=O,7.22252,7.988510281
Nicotinamide riboside,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,7.224225,2.513224073
"(R) 2,3-Dihydroxy-3-methylvalerate",CC[C@@](C)(O)[C@@H](O)C(O)=O,7.226583,5.987751111
Isoxanthopterin,NC1=NC(=O)C2=C(N1)NC(=O)C=N2,7.237327,1.446988899
"1,3-Dimethyluric acid",CN1C2=C(NC(=O)N2)C(=O)N(C)C1=O,7.2486567,3.301517665
gamma-Glutamyltryptophan,N[C@@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O,7.2537365,1.861599647
Phytosphingosine,CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,7.258383,4.161274433
Arginylalanine,C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O,7.2603526,0.323999859
"16a-Hydroxyandrost-4-ene-3,17-dione",[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,7.2609,21.74144387
CE(16:0),[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C,7.26479,1.670972444
Arginylmethionine,CSCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O,7.2661424,0.307307532
Hydroxycotinine,CN1[C@@H](CC(O)C1=O)C1=CN=CC=C1,7.2675457,7.140345871
2'-Hydroxynicotine,CN1CCC[C@@]1(O)C1=CC=CN=C1,7.269335,13.90018612
2-Hydroxypyridine,OC1=CC=CC=N1,7.2765927,34.59070325
Arginyllysine,NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O,7.2811146,0.201238203
Calcidiol,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,7.2850184,10.79920232
"3D,7D,11D-Phytanic acid",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(O)=O,7.288696,13.48369271
7-Methylxanthine,CN1C=NC2=C1C(=O)NC(=O)N2,7.2896924,6.199055538
"3a,7b,12a-Trihydroxyoxocholanyl-Glycine",[H][C@@](C)(CCC(O)=NCC(O)=O)C1([H])CC[C@@]2([H])[C@]3([H])[C@@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,7.2907586,2.839206159
Isolithocholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C,7.3002477,10.66640168
Neuraminic acid,N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O,7.3252234,0.431864057
3-Methyluric acid,CN1C2=C(NC(=O)N2)C(=O)NC1=O,7.3335557,1.614832878
8-Hydroxyguanine,NC1=NC2=C(NC(=O)N2)C(=O)N1,7.333969,0.89785913
Heptaglutamyl folic acid,N[C@@H](CCC(O)=O)C(=O)OC(=O)C(N(C(=O)[C@@H](N)CCC(O)=O)C(=O)C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)NC3=O)C=C1)(C(=O)[C@@H](N)CCC(O)=O)C(C(=O)[C@@H](N)CCC(O)=O)(C(=O)[C@@H](N)CCC(O)=O)C(C(O)=O)(C(=O)[C@@H](N)CCC(O)=O)C(=O)[C@@H](N)CCC(O)=O,7.340067,1.277045812
Aniline,NC1=CC=CC=C1,7.35974,33.2913518
Proline betaine,C[N+]1(C)CCC[C@H]1C([O-])=O,7.363125,16.4259389
"11b,21-Dihydroxy-5b-pregnane-3,20-dione",[H][C@@]12CCC(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,7.3661613,13.24467212
Glutamylhistidine,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O,7.3673,0.992393401
Fructosamine,NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O,7.367461,1.148080453
5-Methyltetrahydropteroylpentaglutamate,CN1C(CNC2=CC=C(C=C2)C(=O)N(C(=O)CC[C@H](N)C(O)=O)[C@](C(CC(O)=O)C(=O)CC[C@H](N)C(O)=O)(C(=O)CC[C@H](N)C(O)=O)C(=O)OC(=O)CC[C@H](N)C(O)=O)CNC2=C1C(=O)N=C(N)N2,7.371104,0.868531875
Tryptophanol,OCCC1=CNC2=C1C=CC=C2,7.3809943,17.4646765
Glutamyltryptophan,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,7.381628,1.861599647
Cholesteryl acetate,CC(C)CCC[C@@H](C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O,7.3834662,6.815744191
Boldione,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,7.3892784,25.89415312
5-Methyltetrahydropteroyltri-L-glutamate,CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2,7.3899546,0.770693785
1-Methyladenine,CN1C=NC2=NC=NC2=C1N,7.3953056,4.998513684
Hexaglutamyl folate,N[C@@H](CCC(=O)OC(=O)[C@](N(C(=O)CC[C@H](N)C(O)=O)C(=O)C1=CC=C(NCC2=CN=C3NC(N)=NC(=O)C3=N2)C=C1)(C(=O)CC[C@H](N)C(O)=O)C(CC(O)=O)(C(=O)CC[C@H](N)C(O)=O)C(=O)CC[C@H](N)C(O)=O)C(O)=O,7.395819,1.540345233
L-Allothreonine,C[C@H](O)[C@H](N)C(O)=O,7.396589,7.109176368
Alpha-Muricholic acid,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,7.406465,4.317066818
5-Methylthioribose,CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O,7.410089,7.921523601
O-Phospho-4-hydroxy-L-threonine,N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O,7.414096,0.303247874
Alpha-D-Glucose,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,7.414421,1.781210862
5-Hydroxylysine,NC[C@H](O)CC[C@H](N)C(O)=O,7.425884,0.983418431
D-Galactose,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,7.4291425,1.781210862
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CC(=O)C(O)=O,7.437164,0.299271848
LacCer(d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,7.4376183,1.307153143
CE(14:1(9Z)),CCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.4394956,2.308192477
SAICAR,NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC(O)=O)C(O)=O,7.4401345,0.286536384
Kinetensin 1-3,CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,7.4451075,0.129586796
3-Methylindole,CC1=CNC2=C1C=CC=C2,7.4470778,37.49343753
1-Aminopyrene,NC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4,7.449636,17.09946692
Beta-D-Galactose,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,7.451203,1.781210862
Rabeprazole,COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1,7.462636,19.47442591
Beta-D-Glucose,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,7.474252,1.781210862
CE(20:2),CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.493824,2.11558342
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate,NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O,7.498518,0.741043082
Beta-D-Fucose,C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,7.502322,2.844278514
L-Threo-3-Phenylserine,N[C@@H](C(O)C1=CC=CC=C1)C(O)=O,7.502413,6.759143621
"3-Oxo-4,6-choladienoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,7.503183,12.792027
Benzylamine,NCC1=CC=CC=C1,7.5053816,35.77274382
Pentaglutamyl folate,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)=CN=C2N1,7.5122647,1.241833903
"CE(18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.51579,2.080537379
CerP(d18:1/16:0),CCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,7.521808,4.401216656
Leukotriene B5,CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,7.524332,4.728316888
4-Phosphopantothenoylcysteine,CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O,7.5396113,0.422136392
3-Keto-4-methylzymosterol,C[C@H](CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)C1CC3,7.5499573,6.851694733
Leukotriene A4,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O,7.556096,12.35596463
Myoinositol,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O,7.5717483,0.540225906
CE(18:1(11Z)),CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.5729675,2.080537379
3-Indoleacetonitrile,N#CCC1=CNC2=C1C=CC=C2,7.576935,24.66564327
2-Fucosyllactose,C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,7.5771756,0.161202252
Adenosine triphosphate,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,7.580906,0.45339386
CE(22:2),CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.5858026,1.551528554
Uric acid,O=C1NC2=C(N1)C(=O)NC(=O)N2,7.5865774,0.817407295
"3b,17a,21-Trihydroxypregnenone",[H][C@@]12CC[C@](O)(CCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,7.6020346,12.40706891
Troxerutin,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC(OCCO)=C(OCCO)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,7.618059,0.356360245
Histidylarginine,N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,7.6244245,0.729035912
Phenylethylamine,NCCC1=CC=CC=C1,7.631441,35.02478302
beta-Sitosterol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C,7.6376495,7.821981609
CE(20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.6445065,2.11558342
"6a,12a-Dihydroxylithocholic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])C[C@H](O)C2C[C@H](O)CC[C@]12C,7.6472154,4.317066818
24-Hydroxycalcitriol,C[C@H](CC[C@@H](O)C(O)(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,7.656342,2.015563659
Asparaginylhistidine,N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O,7.659293,1.138902083
L-Rhamnulose,C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO,7.6602006,3.107015602
Delta-Tocopherol,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=CC(O)=CC(C)=C2O1,7.6816654,9.332983941
Diguanosine triphosphate,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O,7.6938577,0.760288676
D-Erythro-imidazole-glycerol-phosphate,O[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N1,7.7009115,2.017364465
UDP-L-iduronate,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,7.7034516,0.354500883
Galactonic acid,OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O,7.706333,0.544471806
CE(22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1,7.7078843,1.551528554
Mannitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,7.713246,1.263095997
Gulonic acid,OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O,7.7142572,0.544471806
Epitestosterone,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,7.723064,24.76702183
Gluconic acid,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,7.7332897,0.544471806
"(3R,3'R,6'R,9'-cis)-b,e-Carotene-3,3'-diol",O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/[C@@H]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1,7.7359495,3.037679754
"(3R,3'S,6'R)-b,e-Carotene-3,3'-diol",C/C(/C=C/C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,7.750117,3.037679754
2-Aminobenzoic acid,NC1=CC=CC=C1C(O)=O,7.7556324,8.075323701
2-Phenylethanol glucuronide,O[C@@H]1[C@@H](O)[C@H](OCCC2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,7.755746,4.799164832
Phosphoadenosine phosphosulfate,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,7.7601852,0.629843818
"1,9-Dimethyluric acid",CN1C(=O)NC2=C1NC(=O)N(C)C2=O,7.7641554,3.301517665
Oxymesterone,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C,7.7660737,15.22568762
Beta-tocopherol,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=CC(C)=C2O1,7.76923,8.334222436
Guanosine tetraphosphate adenosine,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,7.770702,1.140099019
Pro-Ile,[H][C@](C)(CC)[C@]([H])(N=C(O)[C@]1([H])CCCN1)C(O)=O,7.784139,7.221514732
CE(22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.788636,1.267623529
Timnodonyl CoA,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@@](O)([H])C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C(O)[C@H]1OP(=O)(O)O)N1C=NC2=C1N=CN=C2N,7.7942276,2.205200866
Tetrahydropteridine,C1CNC2=C(N1)C=NC=N2,7.8155093,5.901969597
Diguanosine diphosphate,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O,7.8253083,0.722917356
CE(18:1(9Z)),CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.8273697,2.080537379
CE(24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.8285255,1.342383586
Stigmastanol,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,7.8343573,7.821981609
9-Methyluric acid,CN1C(=O)NC2=C1NC(=O)NC2=O,7.8355107,1.614832878
CE(18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.8391294,1.699832082
Aripiprazole,ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl,7.8454456,10.44071689
CE(20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.8489013,1.728465222
"3L,7D,11D-Phytanic acid",CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CC(O)=O,7.851848,13.48369271
Ribitol,OC[C@H](O)[C@H](O)[C@H](O)CO,7.853851,2.148172446
"Alpha-D-Glucose 1,6-bisphosphate",O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O,7.8542457,0.205108407
CE(22:6),CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,7.854664,1.555238478
CE(22:4),CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,7.855314,1.608305611
"3,7-Dimethyluric acid",CN1C(=O)NC2=C1C(=O)NC(=O)N2C,7.88125,3.301517665
Phenylalanylarginine,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,7.883178,0.63444199
Guanosine diphosphate,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,7.9038315,0.566152204
Arginylhistidine,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O,7.911413,0.729035912
Queuine,O[C@@H]1C=C[C@@H](NCC2=CNC3=C2C(=O)NC(=N)N3)[C@@H]1O,7.9129224,0.795549061
2-Phenylaminoadenosine,NC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC(NC2=CC=CC=C2)=N1,7.9176335,1.076296251
7-Methyluric acid,CN1C(=O)NC2=C1C(=O)NC(=O)N2,7.919052,1.614832878
"3a,7a-Dihydroxy-5b-cholestanate",[H][C@@]12CC[C@](O)(CCO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,7.9212437,14.60542083
AICAR,NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,7.9229927,0.93754651
Kyotorphin,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,7.9283056,0.411442481
CE(15:0),[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCCCCCCCCCC,7.9323874,1.885829866
Xylitol (5TMS),C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C,7.939019,4.537448287
25-Hydroxyvitamin D2-25-glucuronide,C[C@H](\C=C\[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])CCC2\C(CCC[C@]12C)=C\C=C1\CC(O)CCC1=C,7.9415693,1.86402183
L-Iditol,OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,7.9483914,1.263095997
Cytidine monophosphate,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,7.9523516,0.783362426
Alpha-Tocopherol,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1,7.956762,5.308584869
Nicotinamide ribotide,NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O,7.9584837,1.819294877
Galactitol,OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,7.9659176,1.263095997
Arginyltyrosine,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,7.9677105,0.411442481
"1,3,7-Trimethyluric acid",CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2C,7.976218,8.534694463
Sorbitol,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,7.9908285,1.263095997
Arginyltryptophan,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,7.9942183,0.570521969
2-Methoxyestrone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3,7.9978724,22.04286754
Dihydrozeatin-O-glucoside,CC(CCNC1=NC=NC2=C1N=CN2)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,8.011467,0.599429617
Urocanic acid,OC(=O)\C=C\C1=CNC=N1,8.0186,4.077342898
Trimethylamine,CN(C)C,8.020398,38.29156458
Gibberellin A3,[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@]([H])(C(O)=O)[C@]1([H])[C@@]3(C)C(=O)O[C@]21C=C[C@]3([H])O,8.022982,3.13923806
"1,7-Dimethyluric acid",CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2,8.028675,3.301517665
Arginylphenylalanine,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,8.032074,0.63444199
2-Hydroxyestrone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3,8.03341,15.94222486
Somatostatin fragment 3-14,CC(O)C1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)CSSCC[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O)[C@H](C)O)C(O)=O,8.036332,1.813571528
CE(16:1(9Z)),CCCCCC\C=C/CCCCCCCC(=O)OC1CC[C@@]2(C)C(=CCC3C4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CCC23)C1,8.038855,2.045214176
Cholecalciferol,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C,8.040361,12.09667772
Not Found,C[C@H](O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)C(CSSCC[C@H](NC(=O)[C@@H](CO)NC(=O)C(NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O)C(C)O)C(O)=O)NC(=O)CNC(=O)[C@@H](C)N,8.054393,2.611733228
Substance P,CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O,8.067153,1.203155518
3-Phosphoadenylylselenate,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,8.07151,0.422402658
"N,N'-Diacetylchitobiosyldiphosphodolichol",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(O)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(O)(=O)OCCC(C)CC\C=C(/C)CC=C(C)C)[C@H](NC(O)=O)[C@@H](O)[C@@H]1O,8.07329,0.343413674
"D-Tagatose 1,6-bisphosphate",O[C@@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,8.077575,0.288735121
Dynorphin A 9-17,CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=N)C(=O)N[C@@H](CCC(O)=N)C(O)=O,8.079524,0.460367464
UDP-D-Xylose,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OC2OC[C@@H](O)[C@H](O)[C@H]2O)OC([C@@H]1O)N1C=CC(=O)NC1=O,8.091323,0.338149164
Serylglutamic acid,N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O,8.125511,0.344429677
Pantoprazole,COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1,8.127923,21.86758816
Dynorphin A,CCC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC([NH3+])=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O,8.15419,0.633002864
Neurotensin 1-10,CC(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O,8.162573,0.484890956
Pregnanediol,[H][C@@]12CC[C@H](CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)(O)CC[C@]12C,8.171398,16.13951623
Prostaglandin G2,[H][C@@](CCCCC)(OO)\C=C\[C@@]1([H])[C@@]2([H])C[C@]([H])(OO2)[C@]1([H])C\C=C/CCCC(O)=O,8.172686,10.34322828
Urolithin A-8-O-glucuronide,O[C@H]1[C@H](O)[C@@H](OC2=CC=C3C(OC(=O)C4=C3C=CC(O)=C4)=C2)O[C@H]([C@@H]1O)C(O)=O,8.17925,0.59820516
QYNAD,C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O,8.180385,0.110900507
Estrone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,8.1873,25.63509643
Homo-L-arginine,N[C@@H](CCCCNC(N)=N)C(O)=O,8.194517,0.192850223
2'-Deoxyguanosine 5'-monophosphate,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1,8.197091,1.084098499
Histidyltryptophan,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,8.211682,2.63338238
"Adenosine 3',5'-diphosphate",NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,8.222983,0.648189383
Lysylglutamine,NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O,8.226763,0.187064533
"N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole",CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,8.237608,2.520191856
Histidylhistidine,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O,8.238819,1.89467594
ADP,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,8.247294,0.714457501
gamma-Glutamylserine,N[C@@H](CCC(=O)N[C@@H](CO)C(O)=O)C(O)=O,8.257715,0.344429677
Alanylglutamine,C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O,8.2647915,0.309799961
Lysylasparagine,NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O,8.268114,0.363542
Adenosine phosphosulfate,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O,8.27814,1.628589444
Histidyltyrosine,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,8.279916,1.370242611
Neuromedin B (4-10),CSCC[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](N)CC1=CNC2=CC=CC=C12)[C@@H](C)O)C(O)=N,8.293333,1.124658808
L-Cystathionine,N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O,8.297388,0.319922366
Alanylasparagine,C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O,8.302444,0.567248091
Deoxycorticosterone,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,8.309989,18.20470393
Histidylphenylalanine,N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,8.324116,3.464111313
20-Hydroxy-leukotriene B4,OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,8.326411,4.052190855
L-Arginine,N[C@@H](CCCNC(N)=N)C(O)=O,8.334452,0.201763771
N-(o)-Hydroxyarginine,N[C@@H](CCCNC(=N)NO)C(O)=O,8.343957,0.229030987
Adenylylselenate,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,8.344048,0.709975185
7a-Hydroxydehydroepiandrosterone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C,8.3471775,13.31205517
19-Oxotestosterone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C=O,8.356221,21.68834656
"5,15-DiHETE",CCCCC[C@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O,8.362701,5.01204282
Leukotriene B4,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,8.37083,5.01204282
Dihydrozeatin-9-N-glucoside,C[C@H](CO)CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,8.375804,0.676094834
6-trans-Leukotriene B4,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O,8.381224,5.01204282
Cis-zeatin-9-N-glucoside,C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,8.382047,0.797476154
"N2,N2-Dimethylguanosine",CN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,8.389102,1.888237707
Valylalanine,CC(C)[C@H](N)C(=O)N[C@@H](C)C(O)=O,8.389394,2.772433124
Leukotriene B4 dimethylamide,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)N(C)C,8.398224,11.78824306
Delta-12-Prostaglandin J2,CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O,8.42439,14.19681609
"Guanosine 2',3'-cyclic phosphate",NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12,8.431281,0.811302476
"Inositol 1,4,5-trisphosphate",O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O,8.43167,0.370243005
Saccharopine,N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O,8.439625,0.130937481
Testosterone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,8.443103,24.76702183
12(S)-Leukotriene B4,CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,8.453197,5.01204282
Iduronic acid,O[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)C(O)=O,8.457512,1.027213316
Cyclic GMP,NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1,8.465859,0.569719868
11-beta-hydroxyandrosterone-3-glucuronide,[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,8.470653,1.775114983
Galacturonic acid,O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O,8.47449,1.027213316
Nandrolone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],8.479937,25.69997311
6-trans-12-epi-Leukotriene B4,CCCCC\C=C/C[C@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O,8.490558,5.01204282
Deoxyadenosine monophosphate,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,8.497569,1.19168302
"4,4-Dimethylcholesta-8,14,24-trienol",C[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3,8.52613,8.547807485
Clionasterol,[H][C@@]12CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,8.527363,7.821981609
5-Formiminotetrahydrofolic acid,NC1=NC2=C(N(C=N)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1,8.546132,0.252481573
Phenylalanyltryptophan,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,8.547035,5.930841342
Dihydrozeatin-7-N-dihydrozeatin,CC(CO)CCNC1=NC=NC2=C1N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,8.550434,0.662736548
Asparaginylglutamic acid,N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O,8.555286,0.319034723
Phenylalanylhistidine,N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O,8.559241,3.095895611
Tetrahydrobiopterin,[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O,8.571171,1.821001433
CE(20:5),CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C,8.577968,2.120641991
Leukotriene B4 ethanolamide,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)NCCO,8.583694,3.612268716
Lutein,O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=CC(O)CC2(C)C)C(C)(C)C1,8.58965,3.037679754
"PI(16:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,8.606373,1.151447278
Lysylarginine,NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,8.608134,0.201238203
22b-Hydroxycholesterol,[H][C@@]12CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,8.612234,10.68227515
2-Methyl-1-hydroxypropyl-ThPP,CC(C)C(O)C1=[N+](CC2=C(N)N=C(C)N=C2)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,8.639436,1.114437822
"17a,20a-Dihydroxycholesterol",[H]C12CC[C@](O)([C@](C)(O)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C,8.641486,8.459591866
5-Aminoimidazole-4-carboxamide,NC(=O)C1=C(N)N=CN1,8.646487,3.02431006
3b-Allotetrahydrocortisol,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,8.656065,8.868803829
27-Deoxy-5b-cyprinol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)CO,8.662242,6.842322648
9'-Carboxy-alpha-chromanol,C[C@@H](CCCC(C)C(O)=O)CCC[C@@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,8.662667,12.22009286
Valyllysine,CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O,8.669818,0.280199526
"3b,7a,12a-Trihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C,8.670555,4.317066818
"5b-Cholestane-3a,7a,12a,25,26-pentol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO,8.672102,4.23881337
Alanylarginine,C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,8.681985,0.347193982
Lysylglutamic acid,NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O,8.686194,0.18486355
D-Arginine,N[C@H](CCCNC(N)=N)C(O)=O,8.697057,0.201763771
Chitin,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,8.702036,0.239170576
4a-Carbinolamine tetrahydrobiopterin,[H][C@@]1(CN=C2NC(N)=NC(=O)C2=N1)[C@@H](O)[C@H](C)O,8.702722,1.253888384
16alpha-Hydroxy DHEA 3-sulfate,[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O,8.705392,6.763796508
3beta-Hydroxy-5-cholestenoic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@@H](C)C(O)=O,8.7085,8.883391321
Glutamylcysteine,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O,8.714948,1.827586256
Cholic acid,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,8.725095,4.317066818
Guanosine monophosphate,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,8.730982,0.956704002
Alanylglutamic acid,C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O,8.74577,2.225317433
Ganglioside GM3 (d18:0/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,8.746106,2.997611463
Cholic acid glucuronide,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(O)=O,8.747027,0.531855179
Ganglioside GM3 (d18:0/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,8.747547,2.821362764
Ganglioside GM3 (d18:0/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,8.747815,2.997611463
Ganglioside GM3 (d18:0/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,8.748738,2.877932973
Ganglioside GM3 (d18:0/23:0),CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,8.748829,2.997611463
Ganglioside GM3 (d18:0/25:0),CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,8.751261,2.997611463
"(3R,3'R,15-cis)-b,b-Carotene-3,3'-diol",C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,8.751605,4.091022536
Ganglioside GM3 (d18:0/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,8.754764,2.997611463
Biliverdin,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N\C(=C\C2=NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O,8.760476,1.417089906
Zeaxanthin,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,8.764408,4.091022536
"3b,12b-Dihydroxy-5b-cholanoic acid",[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O,8.765073,5.773268268
"(3R,3'R,9-cis)-b,b-Carotene-3,3'-diol",C/C(/C=C/C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,8.766489,4.091022536
"(3R,3'R,13-cis)-b,b-Carotene-3,3'-diol",C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,8.768787,4.091022536
16a-Hydroxyestrone,[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,8.772062,15.73155373
Ganglioside GM3 (d18:1/23:0),CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,8.773753,2.674788423
Heparin,[H]O[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O,8.775037,0.31354737
3-Methyl-1-hydroxybutyl-ThPP,CC(C)CC(O)C1=[N+](CC2=C(N)N=C(C)N=C2)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,8.77615,1.316012535
3'-Sialyllactose,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,8.782636,0.352742872
Lysylaspartic acid,NCCCC[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O,8.78745,0.359264622
Lysylthreonine,C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O,8.800526,0.346527598
N-gamma-Glutamylglutamine,N[C@@H](CCC(=O)NC(=O)CC[C@H](N)C(O)=O)C(O)=O,8.810155,0.289151049
Lysylserine,NCCCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O,8.811626,0.505816238
Ganglioside GM3 (d18:0/16:0),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,8.81968,1.438107155
O2'-4a-cyclic-tetrahydrobiopterin,C[C@H]1OC23NC(CNC2=NC(N)=NC3=O)[C@H]1O,8.819952,1.591357775
Ganglioside GM3 (d18:0/14:0),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,8.820809,1.452404726
11b-Hydroxyprogesterone,[H][C@@]12CC[C@H](C(O)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,8.822477,17.91258305
"5a-Androstane-3a,17a-diol",[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,8.822742,15.68697095
Ganglioside GM3 (d18:0/12:0),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,8.8243475,1.374511234
"PC(MonoMe(11,3)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCC)O2)=C1C,8.825934,10.02080366
Ganglioside GM3 (d18:0/24:1(15Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,8.850113,2.674788423
Ganglioside GM3 (d18:0/26:1(17Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,8.852268,2.674788423
Alanylaspartic acid,C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O,8.852957,1.866691001
Ganglioside GM3 (d18:0/22:1(13Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,8.85345,2.674788423
Ganglioside GM3 (d18:0/18:1(11Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,8.859211,1.283232309
Ganglioside GM3 (d18:0/18:1(9Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,8.860407,1.283232309
Methylmalonylcarnitine,C[C@H](C(O)=O)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,8.864509,9.639583528
Lactosyceramide (d18:1/18:1(9Z)),[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCC\C=C/CCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,8.87256,1.421426609
Lactosylcermide (d18:1/20:0),[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,8.879105,1.421426609
6-methyltetrahydropterin,CC1CNC2=C(N1)C(=O)N=C(N)N2,8.883639,3.164877743
Ganglioside GM3 (d18:1/14:0),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,8.889779,1.295990217
Alanylserine,C[C@H](N)C(=O)N[C@@H](CO)C(O)=O,8.903499,2.009980008
Fosfomycin,[H][C@@]1(C)O[C@]1([H])P(O)(O)=O,8.903805,10.23553088
Astaxanthin,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,8.909556,7.884313911
Methionylhydroxyproline,CSCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,8.915693,3.770469129
Angiotensin III,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,8.915911,0.823962502
Tetrahydrocortisone,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,8.930813,8.14865306
2-Methylguanosine,CNC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,8.946206,1.473254245
Lysylhydroxyproline,NCCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,8.959563,1.682218164
Alanylhydroxyproline,C[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,8.971501,3.494721279
Dihydrocortisol,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,8.980547,8.14865306
"D-Fructose 2,6-bisphosphate",OC[C@@]1(OP(O)(O)=O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,8.981231,0.297383219
8-Hydroxy-deoxyguanosine,NC1=NC2=C(N=C(O)N2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1,9.001369,0.769799668
19-Noraldosterone,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])[C@@]([H])(O)C[C@]12C=O)C(=O)CO,9.0123205,9.161300957
Lysylcysteine,NCCCC[C@H](N)C(=O)N[C@@H](CS)C(O)=O,9.025909,0.521969423
"3-Hydroxy-5,8-tetradecadienoylcarnitine",CCCCC\C=C/C\C=C/C[C@@H](O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,9.0285635,11.013183
Guanosine,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,9.030329,0.676351506
Serylalanine,C[C@H](NC(=O)[C@@H](N)CO)C(O)=O,9.044123,1.979182102
D-Tagatose 6-phosphate,OCC1(O)O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O,9.045321,0.391845452
Beta-L-arabinose 1-phosphate,O[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O,9.04546,0.887575001
Deoxyadenosine,NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC=N1,9.050167,3.227988631
Resolvin D5,CC\C=C/C[C@H](O)\C=C\C=C/C\C=C/C=C/[C@@H](O)\C=C/CCCC(O)=O,9.053087,3.888235241
8-Dehydrocholesterol,[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3)[C@H](C)CCCC(C)C,9.084292,18.15123409
"3a,4b,7a-Trihydroxy-5b-cholanoic acid",[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@H](O)CC[C@]12C,9.103473,4.317066818
8-Hydroxyguanosine,NC1=NC2=C(NC(=O)N2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,9.10356,0.788776204
Muricholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(O)C(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,9.104147,4.317066818
Alanylcysteine,C[C@H](N)C(=O)N[C@@H](CS)C(O)=O,9.1139145,2.336519025
1-Methylguanosine,CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O,9.13365,1.071645878
Indoxyl sulfate,OS(=O)(=O)OC1=CNC2=CC=CC=C12,9.142341,14.86692578
Hepoxilin A3,CCCCC\C=C/C[C@@H]1O[C@@H]1\C=C\C(O)C\C=C/CCCC(O)=O,9.159743,11.75725833
Nivalenol,[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)([C@H](O)[C@H]1O)[C@@]21CO1,9.160957,4.264413938
"3a,7a,12a-Trihydroxy-5b-cholestan-26-al",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C=O,9.166121,7.790140808
Sinapic acid 4-O-sulfate,[H]\C(=C(\[H])C1=CC(OC)=C(OS(O)(=O)=O)C(OC)=C1)C(O)=O,9.176038,2.944799513
3'-AMP,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,9.18085,0.991332438
Adenosine,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1,9.189313,0.429072743
Adenosine monophosphate,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,9.190229,0.991332438
Erythrose,[H][C@@]1(O)COC([H])(O)[C@]1([H])O,9.190732,6.939643621
7-Ketocholesterol,[H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C=C2CC(O)CC[C@]12C,9.19888,10.26433632
"PC(MonoMe(11,3)/MonoMe(11,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.228576,9.414871037
Boswellic acid,[H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C,9.2287,2.729556523
N2-Methylguanine,CNC1=NC(=O)C2=C(N1)N=CN2,9.251866,3.735589236
Threonylasparagine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O,9.259529,0.502754096
"11,12-Epoxyeicosatrienoic acid",CCCCC\C=C/C[C@H]1O[C@H]1C\C=C/C\C=C/CCCC(O)=O,9.261307,9.417968988
"Glucaric acid-1,4-lactone",[H][C@@](O)(C(O)=O)[C@@]1([H])OC(=O)[C@]([H])(O)[C@@]1([H])O,9.264663,0.783095136
24-Hydroxycholesterol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C,9.2722845,10.68227515
7-Methylguanosine,CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2,9.274959,0.981421676
3-Hydroxyhexadecadienoylcarnitine,CCC\C=C/C\C=C/CCCCC[C@@H](O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,9.275983,9.570904821
"1,7-Dimethylguanosine",CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[O-])C2=C1C(=O)N(C)C(N)=N2,9.279156,1.215117704
PIP(18:1(11Z)/18:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,9.282689,1.602208428
Corrinoid,[H]\C1=C2/CC\C(N2)=C([H])\C2=N\C(\CC2)=C([H])\C2=NC(CC2)C2CCC1=N2,9.297579,16.98814183
"PC(MonoMe(11,3)/MonoMe(13,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.2983,9.414871037
"7a,17-dimethyl-5b-Androstane-3a,17b-diol",[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)C[C@]2([H])C[C@H](O)CC[C@]12C,9.301261,14.19272572
"PC(MonoMe(11,3)/MonoMe(9,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.301665,10.02080366
Allose,[H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,9.315142,1.781210862
Deoxyguanosine,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1,9.316757,1.116754673
Enkephalin L,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,9.329835,0.169121905
3-Methylhistidine,[H][C@](N)(CC1=CN=CN1C)C(O)=O,9.341502,5.644372106
"(3S,5S)-3,5-Diaminohexanoate",C[C@H](N)C[C@H](N)CC(O)=O,9.344053,1.783913933
N-Acetyltryptophan,CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,9.345615,6.523521245
1-Methylinosine,CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O,9.346646,2.272330597
7-Methylinosine,CN1C=[N+](C2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2,9.361991,3.251063079
25-Hydroxyvitamin D2 25-(beta-glucuronide),C[C@H](\C=C\[C@H](C)C(C)(C)OC1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,9.367602,1.86402183
11b-PGF2a,CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,9.372301,5.244977027
Fructose 1-phosphate,OC[C@H]1O[C@](O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O,9.381084,0.391845452
5-Methylcytidine,CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N=C1N,9.395841,1.380712539
1-Methyladenosine,CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N,9.396884,1.764225215
Glucosylceramide (d18:1/25:0),CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,9.403798,1.994362287
Urobilin,[H]C(C1=C(CCC(O)=O)C(C)=C(CC2NC(=O)C(C)=C2CC)N1)=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(O)=O,9.407327,3.562091663
Galactosylhydroxylysine,NCCCC[C@H](N(O)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=O,9.430906,0.277025183
N6-Methyladenosine,CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,9.431363,1.926361583
"3b,7a-Dihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C,9.431694,5.773268268
Kinetensin 4-7,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,9.433274,0.369580276
Glutaconylcarnitine,OC(=O)C\C=C\C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,9.439797,9.218879044
1-Phosphatidyl-D-myo-inositol,[H][C@](COC=O)(COP(O)(=O)OC1([H])[C@@]([H])(O)[C@@]([H])(O)C([H])(O)[C@]([H])(O)[C@@]1([H])O)OC=O,9.442039,0.322421407
Imidazole acetol-phosphate,OP(O)(=O)OCC(=O)CC1=CNC=N1,9.453993,3.403671458
Ursolic acid,[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,9.456885,2.729556523
Tyrosylglycine,N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(O)=O,9.458669,2.13744808
17-Hydroxypregnenolone sulfate,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O,9.465871,6.609120965
3-Methyldioxyindole,CC1(O)C(=O)NC2=CC=CC=C12,9.470637,9.235776216
"PC(MonoMe(11,3)/DiMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,9.476198,9.07510668
Chenodeoxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,9.481599,5.773268268
D-Alanyl-D-alanine,C[C@@H](N)C(=O)N[C@H](C)C(O)=O,9.486402,1.947485842
Kinetensin 4-8,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,9.491465,1.459325291
"6,8-Dihydroxypurine",O=C1NC2=C(N1)C(=O)N=CN2,9.5011215,1.536492631
Bradykinin,N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,9.507559,0.942472834
6'-Sialyllactose,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,9.521017,0.295342179
Prostaglandin D2,[H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O,9.52196,7.561963797
"8Z,11Z,14Z-eicosatrienoyl-CoA",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,9.533101,1.542858407
"PC(MonoMe(13,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.533393,9.701541066
"PC(MonoMe(13,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.534946,9.701541066
Adrenochrome o-semiquinone,CN1CC(O)C2=C1C=C(O)C([O])=C2,9.546049,6.334324181
"PC(MonoMe(11,3)/DiMe(9,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,9.547671,9.07510668
N-Acetyl-L-phenylalanine,CC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,9.549614,8.527950197
Butenylcarnitine,C\C=C\C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,9.551175,29.66130078
Hypusine,NCC[C@H](O)CNCCCC[C@H](N)C(O)=O,9.5523,0.226189545
Galactinol,OC[C@H]1O[C@H](OC2[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,9.556806,0.526358746
Saccharin,OC1=NS(=O)(=O)C2=CC=CC=C12,9.559871,12.18543649
Debrisoquine,NC(=N)N1CCC2=CC=CC=C2C1,9.568677,6.281190366
Epimelibiose,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,9.577678,0.510054035
Kinetensin 1-8,CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,9.595934,1.025404129
"PC(MonoMe(13,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.596693,9.414871037
"PC(MonoMe(11,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.5974455,9.414871037
D-Tagatose 1-phosphate,OC[C@@H](O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O,9.599181,0.197055726
Estradiol,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,9.600699,19.11019385
Allocholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O,9.603341,4.317066818
trans-2-Dodecenoylcarnitine,CCCCCCCCC\C=C\C(=O)O[C@@H](CCC([O-])=O)[N+](C)(C)C,9.608445,30.64959645
Alpha-Lactose,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,9.615451,0.510054035
Alanylmethionine,CSCC[C@H](NC(=O)[C@H](C)N)C(O)=O,9.621956,3.199516237
Kinetensin 1-7,CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,9.62364,0.726431655
Cis-zeatin-O-glucoside,C\C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/CNC1=NC=NC2=C1NC=N2,9.6258545,0.693720812
Bradykinin hydroxyproline,N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,9.626128,0.927317981
Not Found,OC1=CC=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O,9.631342,8.763895184
"2-trans,4-cis-Decadienoylcarnitine",CCCCC\C=C/C=C/C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,9.632732,53.11055183
2-O-a-L-Fucopyranosyl-galactose,C[C@@H]1O[C@@H](O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O,9.640606,0.340001192
"PC(MonoMe(9,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.656177,10.02080366
Ergocalciferol,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)\C=C\[C@H](C)C(C)C,9.659184,8.689426631
Nnal-N-oxide,CN(CCCC(O)C1=CN(=O)=CC=C1)N=O,9.66451,11.2797901
"PC(MonoMe(11,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,9.666353,9.414871037
Melibiose,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,9.685758,0.510054035
7a-Hydroxy-3-oxo-5b-cholanoic acid,[H][C@@](C)(CCC(O)=O)C1([H])CC[C@@]2([H])[C@]3([H])C([H])(O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,9.692705,9.055538476
5-Hydroxytryptophol glucuronide,OCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2,9.694499,1.397949178
CDP-DG(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCCCCCCCC,9.708529,1.511848718
Trehalose,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,9.709976,0.510054035
Kinetensin,CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(O)=O,9.713494,0.948459003
Tetrahydropteroyltri-L-glutamate,NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2)N1,9.723413,0.534940185
Isomaltose,OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,9.726724,0.510054035
Cellobiose,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,9.729093,0.510054035
PIP2(18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,9.734385,2.13249065
"Galactose-beta-1,4-xylose",OC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,9.736619,0.661431951
"1,3,7,12-Tetrahydroxycholan-24-oic acid",[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@]([H])(O)CC4([H])CC([H])(O)CC([H])(O)[C@]4(C)[C@@]3([H])CC([H])(O)[C@]12C,9.739946,3.721470758
Eriocitrin,[H][C@]1(CC(=O)C2=C(C1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O)C1=CC=C(O)C(O)=C1,9.745021,0.17967585
CE(24:1(15Z)),[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)[C@H](C)CCCC(C)C,9.755037,1.643032581
Pi-Methylimidazoleacetic acid,CN1C=NC=C1CC(O)=O,9.758531,5.020224676
Pentaporphyrin I,N1C2=CC=C1\C=C1\C=CC(\C=C3\C=CC(\C=C4/N\C(\C=C4)=C/2)=N3)=N1,9.759337,7.583360374
Glucosylceramide (d18:1/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,9.779355,2.019247785
CDP-DG(16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,9.785268,1.511848718
Not Found,COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O,9.792734,7.16618821
"Cholestane-3,7,12,25-tetrol",[H][C@@](C)(CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@]([H])(O)CC4([H])CC([H])(O)CC[C@]4(C)[C@@]3([H])CC([H])(O)[C@]12C,9.800351,5.290823802
Acetaminophen glucuronide,CC(=O)NC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,9.814159,1.788471267
8-isoprostaglandin PGF2b,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O,9.814839,5.244977027
Eriodictyol,OC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C(O)=C1,9.818815,6.048269197
Hyodeoxycholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)C2C[C@H](O)CC[C@]12C,9.825429,5.773268268
PIP(18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,9.831286,1.602208428
Presqualene diphosphate,[H][C@]1(COP(O)(=O)OP(O)(O)=O)[C@]([H])(\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@]1(C)CC\C=C(/C)CCC=C(C)C,9.832125,2.776639536
"PC(MonoMe(13,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,9.832804,9.414871037
3-Hydroxyanthranilic acid,NC1=C(O)C=CC=C1C(O)=O,9.833595,4.65028137
Galactosylsphingosine,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,9.840619,0.803935807
Inositol cyclic phosphate,O[C@H]1[C@H]2OP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O,9.84213,0.659162225
1-(sn-Glycero-3-phospho)-1D-myo-inositol,OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,9.852694,0.295491447
"PC(DiMe(11,3)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,9.856364,9.07510668
"PC(DiMe(9,3)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,9.862823,9.07510668
Uridine 2'-phosphate,OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=CC(=O)NC1=O,9.864124,1.392108109
"PC(MonoMe(9,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,9.874913,10.02080366
Sucrose,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,9.875505,0.394824613
D-Maltose,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,9.876256,0.510054035
Hesperetin,COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1,9.8787985,14.59001452
"PC(MonoMe(11,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,9.8936825,9.414871037
Levuglandin D2,CCCCC[C@H](O)\C=C\[C@H]([C@@H](C\C=C/CCCC(O)=O)C=O)C(C)=O,9.894697,9.402118623
Melibiitol,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,9.924773,0.154146587
beta-Carboline,N1C2=CC=CC=C2C2=CC=NC=C12,9.925886,18.22509021
"3a,7b,12b-Trihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,9.93313,4.317066818
Chicoric acid,OC(=O)[C@@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)[C@H](OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O,9.956288,0.226982054
Dynorphin B (6-9),N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCC(O)=N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,9.9636545,0.129776751
Turanose,OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO,9.9746475,0.217853999
Kojibiose,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O,9.985252,0.217853999
L-Histidine,N[C@@H](CC1=CN=CN1)C(O)=O,9.997113,3.321126476
"3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])[C@@H](O)[C@H](O)CC[C@]12C,10.013914,3.721470758
Farnesylcysteine,CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC[C@H](N)C(O)=O,10.0241165,5.81879653
Ursodeoxycholic acid 3-sulfate,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)CC2C[C@H](CC[C@]12C)OS(O)(=O)=O,10.048507,3.596705943
1-Methylnicotinamide,C[N+]1=CC=CC(=C1)C(N)=O,10.049769,18.03590208
Dihydroxycoprostanoic acid,[H][C@@]1(O)C=C[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]1([H])O,10.070612,2.995679341
Noradrenochrome o-semiquinone,[O]C1=C(O)C=C2NCC(O)C2=C1,10.08495,6.483126432
3'-Ketolactose,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)C(=O)[C@H]1O,10.086219,0.580581604
Murocholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,10.097407,5.773268268
5-Hydroxytryptophol,OCCC1=CNC2=CC=C(O)C=C12,10.115131,11.17936894
Serotonin,NCCC1=CNC2=C1C=C(O)C=C2,10.127152,10.43539941
Dopaxanthin quinone,OC(=O)C(CC1=CC(=O)C(=O)C=C1)\N=C\C=C1/CC(NC(=C1)C(O)=O)C(O)=O,10.133857,1.229801867
Chenodeoxycholic acid sulfate,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O,10.140969,3.596705943
3-Oxocholic acid,[H][C@@](C)(CCC(O)=O)[C@]1([H])CC[C@@]2([H])[C@]3([H])C([H])(O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@@]([H])(O)[C@]12C,10.150495,5.096363649
"1D-Myo-inositol 1,4,5,6-tetrakisphosphate",O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,10.178873,0.294476328
"5b-Cholestane-3a,7a,12a,23R,25-pentol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](O)CC(C)(C)O,10.192436,3.473017737
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,10.195827,1.47647718
Lactulose,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,10.206259,0.394824613
"PC(MonoMe(13,5)/DiMe(11,3))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,10.211198,9.351430088
Histidinal,N[C@@H](CC1=CNC=N1)C=O,10.221834,7.693742961
Glutaminyllysine,[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O,10.246026,0.391868642
Threonylvaline,CC(C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O,10.250852,1.938260533
Lactose 6-phosphate,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O,10.275322,0.199616002
"7a,12a-Dihydroxy-3-oxo-4-cholenoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C,10.275884,4.706365988
Bufotenin,CN(C)CCC1=CNC2=C1C=C(O)C=C2,10.293449,11.66194752
"PC(MonoMe(11,5)/DiMe(11,3))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,10.299628,9.351430088
Portulacaxanthin II,OC(=O)C(CC1=CC=C(O)C=C1)\N=C\C=C1/CC(NC(=C1)C(O)=O)C(O)=O,10.300674,2.297321148
Tryptophanamide,NC(CC1=CNC2=CC=CC=C12)C(N)=O,10.303354,8.169423789
Tetrahymanol,[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]1(C)CCCC2(C)C,10.307173,4.79982011
"PC(MonoMe(9,5)/DiMe(11,3))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,10.307291,9.07510668
"PC(MonoMe(9,5)/DiMe(9,3))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,10.309472,9.07510668
20-Carboxyleukotriene B4,O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/[C@H](O)C\C=C/CCCCC(O)=O,10.3122,2.140782028
8-iso-15-keto-PGE2,CCCCCC(=O)\C=C\[C@H]1C(O)CC(=O)[C@H]1C\C=C/CCCC(O)=O,10.316079,9.63274315
Leukotriene E3,CCCCCCCC\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O,10.318717,1.276434585
N-a-Acetyl-L-arginine,CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O,10.321399,0.30517655
"PC(MonoMe(13,5)/DiMe(9,3))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,10.327354,9.351430088
Nephritogenoside,OC[C@H]1OC(OC[C@H]2O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,10.35013,0.151393411
alpha-Zearalenol,C[C@H]1CCC[C@H](O)CCC\C=C\C2=CC(O)=CC(O)=C2C(=O)O1,10.364821,8.178959787
Threonylcysteine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CS)C(O)=O,10.3768,2.122074924
"5alpha-Androstan-3alpha,17beta-diol disulfate",[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O,10.388213,4.746287689
N-Methylserotonin,CNCCC1=CNC2=C1C=C(O)C=C2,10.391503,7.46890232
"PC(MonoMe(11,5)/DiMe(9,3))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,10.392642,9.07510668
Arabinosylhypoxanthine,[H][C@]1(CO)O[C@]([H])(N2C=NC3=C2N=CN=C3O)[C@@]([H])(O)[C@]1([H])O,10.3933115,1.345985197
Galactaric acid,O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O,10.396447,0.443668803
Galactose 1-phosphate,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O,10.410302,0.456651207
5-Methoxytryptamine,COC1=CC2=C(NC=C2CCN)C=C1,10.412046,13.28399777
D-Pantothenoyl-L-cysteine,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O,10.420008,0.884305313
Progesterone,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,10.4206085,16.14173353
D-Glucuronic acid 1-phosphate,O[C@@H]1[C@@H](O)C(OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O,10.447344,0.541669549
"PC(MonoMe(9,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,10.463417,9.414871037
Phenylalanylalanine,C[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O,10.464545,3.886304796
Glucosylgalactosyl hydroxylysine,NCC(CC[C@H](N)C(O)=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O,10.473448,0.189053267
Amylose,CO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,10.478198,0.440455973
(R)-Amphetamine,C[C@@H](N)CC1=CC=CC=C1,10.484037,36.65579259
"PC(MonoMe(11,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,10.49235,9.701541066
N1-Methyl-4-pyridone-3-carboxamide,CN1C=CC(=O)C(=C1)C(N)=O,10.493938,14.82520998
Phenylalanylmethionine,CSCC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O,10.523599,2.495058626
Phenylalanyllysine,NCCCC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(O)=O,10.532252,0.832307059
Demethylated antipyrine,CC1=CC(=O)N(N1)C1=CC=CC=C1,10.536182,13.67123425
5-Aminoimidazole ribonucleotide,NC1=CN=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,10.536864,1.351179462
Isoursodeoxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,10.545093,5.773268268
Leucodopachrome,OC(=O)[C@@H]1CC2=CC(O)=C(O)C=C2N1,10.547425,2.845963649
"Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,10.550009,1.203986164
"PC(MonoMe(11,3)/DiMe(11,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,10.553476,9.351430088
S-(PGA1)-glutathione,CCCCCC(O)\C=C\[C@H]1C(CC(=O)C1CCCCCCC(O)=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,10.562807,0.781194447
Ergosterol,CC(C)[C@@H](C)\C=C\[C@@H](C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C,10.569995,12.37283498
Etiocholanedione,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,10.570968,26.39462948
Indole-3-carboxilic acid-O-sulphate,OS(=O)(=O)OC(=O)C1=CNC2=C1C=CC=C2,10.571584,6.212287396
Dehydrospermidine,NCCC\C=N\CCCN,10.576314,5.763508752
Isohyodeoxycholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)[C@]2([H])C[C@@H](O)CC[C@]12C,10.588083,5.773268268
S-Adenosylhomocysteine,N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)=O,10.592733,0.957033969
Phosphoribulosylformimino-AICAR-P,O[C@H](COP(=O)(O)O)[C@@H](O)C(=O)CN\C=N\C1=C(C(=O)N)N=CN1[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1O,10.594402,0.450528273
"17a,21-Dihydroxy-5b-pregnane-3,11,20-trione",[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,10.595784,12.44456843
PIP2(18:1(9Z)/18:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,10.595793,1.887632906
Histidylalanine,C[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(O)=O,10.599611,1.909853145
"PC(MonoMe(9,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,10.61813,9.414871037
Dyspropterin,CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2,10.628158,1.303338725
Androstanedione,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,10.633682,26.39462948
"PC(MonoMe(11,3)/DiMe(9,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,10.634177,9.07510668
Taurochenodesoxycholic acid,[H][C@@](C)(CCC(O)=NCCS(O)(=O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,10.644024,3.612614051
Histidylmethionine,CSCC[C@H](NC(=O)[C@@H](N)CC1=CNC=N1)C(O)=O,10.645247,2.627002075
Lacto-N-biose I,CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,10.648931,0.381408096
Histidyllysine,NCCCC[C@H](NC(=O)[C@@H](N)CC1=CNC=N1)C(O)=O,10.648942,1.124133356
Dehydroisoandrosterone 3-glucuronide,[H]C12CCC(=O)C1(C)CCC1([H])C2([H])CC=C2CC([H])(CCC12C)O[C@]1([H])O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,10.655688,3.839430958
CerP(d18:1/26:1(17Z)),CCCCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,10.676661,4.017867148
"5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide",[H]C1(CC2=CC(O)=C(O[C@@]3([H])O[C@@]([H])(C(O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)C=C2)CCC(=O)O1,10.680452,1.159141026
"trans-1,2-Dihydrobenzene-1,2-diol",O[C@@H]1C=CC=C[C@H]1O,10.682632,22.42230028
Galactan,CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](OC)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,10.700921,0.440455973
CerP(d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,10.703617,4.017867148
Tetragastrin,CSCC[C@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,10.706355,0.195822329
"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide",[H]C1(CC2=CC(O)=C(O[C@]3([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)C(O)=C2)CCC(=O)O1,10.707916,0.596076902
"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide",[H]C1(CC2=CC(O)=C(O)C(OC3([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)=C2)CCC(=O)O1,10.709648,0.596076902
Glucosylceramide (d18:1/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,10.710071,1.994362287
Alanyltyrosine,C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,10.716735,1.620735973
2-Aminomuconic acid semialdehyde,N\C(=C\C=C/C=O)C(O)=O,10.719205,7.645785809
Geranyl-PP,CC(C)=CCC\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O,10.726882,2.053333819
Lysyltyrosine,NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,10.728349,0.494830124
"3b,12a-Dihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C,10.7415285,5.773268268
Cyclic AMP,[H][C@@]12COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)N1C=NC2=C1N=CN=C2N,10.741917,0.983456895
2-Aminomuconic acid,N\C(=C\C=C/C(O)=O)C(O)=O,10.744944,2.51650624
"PC(MonoMe(11,3)/DiMe(13,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,10.746708,9.351430088
"1-Benzyl-1,2,3,4-tetrahydroisoquinoline",C(C1NCCC2=CC=CC=C12)C1=CC=CC=C1,10.749789,19.22272742
Anatabine,C1N[C@@H](CC=C1)C1=CN=CC=C1,10.753634,27.76651978
3-alpha-androstanediol glucuronide,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O,10.762433,3.332271054
N-Ribosylhistidine,N[C@@H](CC1=CN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O,10.769762,0.967135187
Alanylphenylalanine,C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,10.773297,2.855367027
Adenosine 2'-phosphate,[H][C@]1(CO)O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,10.776213,0.991332438
3'-O-Methyladenosine,CO[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2N,10.778867,2.984147146
Lysylphenylalanine,NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,10.782771,0.855770614
Alanylhistidine,C[C@H](N)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O,10.783466,1.909853145
Alanyltryptophan,C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,10.791721,3.347352892
Lysylhistidine,NCCCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O,10.795286,1.124133356
"5,6-Dihydroxyindole",OC1=C(O)C=C2C=CNC2=C1,10.804042,8.187553287
2-Amino-3-carboxymuconic acid semialdehyde,N\C(C(O)=O)=C(\C=C/C=O)/C(O)=O,10.838805,2.611301094
Lysyltryptophan,NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,10.840676,1.313470118
Se-Adenosylselenohomocysteine,NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O,10.8429575,0.629135547
Succinyladenosine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12,10.856791,0.83555365
Se-Adenosylselenomethionine,C[Se+](CCC(N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,10.884528,0.410159817
Danazol,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3,10.8896055,19.05988753
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,10.892028,1.988573931
S-Adenosylmethionine,C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,10.921551,0.681500277
Trehalose 6-phosphate,OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,10.925486,0.199616002
Morphiceptin,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(N)=O,10.93349,0.371914217
NNAL-N-glucuronide,CN(CCCC(O)C1=C[N+](=CC=C1)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N=O,10.938394,1.298464742
Glucaric acid,O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O,10.954539,0.443668803
Prolylhydroxyproline,O[C@@H]1C[C@H](N(C1)C(=O)[C@@H]1CCCN1)C(O)=O,10.956826,3.764908388
Cytosine,NC1=CC=NC(=O)N1,10.957694,6.073251367
Loratadine,CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2,10.96904,18.16711277
Scolymoside,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC3=C(C=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O,10.977051,0.201908336
Avenasterol,C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,10.977302,8.547807485
Deoxypyridinoline,N[C@@H](CCCC[N+]1=CC(CC[C@H](N)C([O-])=O)=C(C[C@H](N)C(O)=O)C(O)=C1)C(O)=O,10.977617,0.256785005
Inosine 2'-phosphate,OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)N1C=NC2=C1NC=NC2=O,10.986145,1.358577143
gamma-Glutamylarginine,N[C@@H](CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O,10.990091,0.240525906
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide,CN(CCCC(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CN=CC=C1)N=O,10.990817,1.49791874
"PC(DiMe(9,3)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,10.994093,9.351430088
Purine,N1C=NC2=C1C=NC=N2,10.999079,9.340959787
Anabasine,C1CCC(NC1)C1=CN=CC=C1,11.02637,27.76651978
"PC(DiMe(9,3)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,11.030535,9.07510668
"PC(DiMe(11,3)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,11.03101,9.351430088
3-Methyladenine,CN1C=NC(N)=C2N=CN=C12,11.033089,4.998513684
Desmosine,NC(CCCC[N+]1=CC(CC[C@H](N)C(O)=O)=C(CCC[C@H](N)C(O)=O)C(CC[C@H](N)C(O)=O)=C1)C(O)=O,11.034747,0.175153464
Fluticasone,[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,11.035617,3.473649919
Creatinine,CN1CC(=O)NC1=N,11.035944,3.076142073
Norcotinine,O=C1CCC(N1)C1=CN=CC=C1,11.036591,32.80353546
D-Arabinose 5-phosphate,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C=O,11.051811,1.503510401
2-Methoxyestradiol-3-methylether,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(OC)=C3,11.064798,21.37688994
"1D-Myo-inositol 3,4-bisphosphate",O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,11.068493,0.342891389
2-Hydroxyestradiol-3-methyl ether,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C(O)=C3,11.085574,16.77055806
"PC(DiMe(9,3)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,11.104059,9.07510668
"7 alpha,26-Dihydroxy-4-cholesten-3-one",CC(CO)CCC[C@@H](C)C1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,11.105556,10.52624956
S-Adenosylmethioninamine,C[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,11.105821,1.369286887
Mesterolone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C[C@H](C)[C@]12C,11.1063385,22.20138907
3b-Hydroxy-5-cholenoic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,11.107184,10.91959849
8-Chloroxanthine,ClC1=NC2=C(N1)C(=O)NC(=O)N2,11.110653,1.155519392
"PC(DiMe(11,3)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,11.113365,9.07510668
Epiandrosterone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2C[C@@H](O)CC[C@]12C,11.114191,23.67449701
CerP(d18:1/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,11.114804,4.006253183
"PC(DiMe(11,3)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,11.119614,9.351430088
"1D-Myo-inositol 1,3-bisphosphate",O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O,11.132458,0.342891389
2-Methoxyestradiol,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3,11.133393,16.77055806
7b-Hydroxycholesterol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,11.139389,10.24222746
L-Citramalyl-CoA,[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)C[C@](C)(O)C(O)=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@]1([H])OP(O)(O)=O,11.145423,1.189286727
Norbolethone,[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],11.15037,15.68581015
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone,CN(CCCC(=O)C1=CN=CC=C1)N=O,11.152083,30.78167439
Kinetin-9-N-glucoside,OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NCC1=CC=CO1,11.161082,0.694983499
Kinetin-7-N-glucoside,OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1C(NCC1=CC=CO1)=NC=N2,11.162467,0.690179411
"1D-Myo-inositol 1,4-bisphosphate",O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O,11.163486,0.342891389
"11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid",C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)CC(O)=O,11.165576,9.069681913
"11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid",C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(O)CC(O)=O,11.167038,6.637046486
Cotinine,CN1C(CCC1=O)C1=CN=CC=C1,11.178183,27.91257799
Nornicotine,C1CNC(C1)C1=CC=CN=C1,11.185274,38.57372999
2-Hydroxyestradiol,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3,11.192975,10.84367558
Inosine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(O)N=CN=C12,11.196077,1.345985197
Dopaxanthin,OC(=O)[C@H](CC1=CC=C(O)C(O)=C1)\N=C/C=C1\C[C@H](NC(=C1)C(O)=O)C(O)=O,11.198447,0.45461785
5'-Deoxyadenosine,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,11.203442,2.811867557
5'-Methylthioadenosine,CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,11.209969,4.876823351
Xanthosine,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(O)N=C2O,11.212595,0.637674285
"3 beta,7 alpha-Dihydroxy-5-cholestenoate",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C(O)=O,11.224334,6.889956445
Galactosylceramide (d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,11.231277,1.994362287
"7,9-Dimethyluric acid",CN1C(=O)N(C)C2=C1NC(=O)NC2=O,11.236193,3.301517665
CE(12:0),[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCC)[C@H](C)CCCC(C)C,11.237828,1.78176444
7-Methyladenine,CN1C=NC2=NC=NC(N)=C12,11.240179,4.655550793
"(24R)-Cholest-5-ene-3-beta,7-alpha,24-triol",[H][C@@]12CCC([C@H](C)CC[C@@H](O)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C=C2C[C@@H](O)CC[C@]12C,11.256815,9.287374467
17alpha-Estradiol 3-sulfate,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS(O)(=O)=O)C=C3CC[C@@]21[H],11.271502,12.80857027
"4,6-Dihydroxyquinoline",OC1=CC2=C(O)C=CN=C2C=C1,11.299458,13.58340085
L-gamma-glutamyl-L-valine,CC(C)[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,11.314987,1.189366449
Allopurinol riboside,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1N=CC2=C1NC=NC2=O,11.343691,1.993588172
"15-hydroxynorandrostene-3,17-dione glucuronide",[H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,11.360666,1.165852882
m-Tyramine,NCCC1=CC(O)=CC=C1,11.362763,8.459080011
Leukoaminochrome,OC1=C(O)C=C2NCCC2=C1,11.364718,7.230252028
Alpha-Aspartyl-lysine,NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O,11.365666,0.359264622
19-Nor-5-androstenediol,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](O)CC3=CC[C@@]21[H],11.36719,15.68697095
"3b,16a-Dihydroxyandrostenone sulfate",[H][C@@]12C[C@H](C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C)OS(O)(=O)=O,11.374682,7.854142785
Temurin,CN1C(=O)N(C)C2=C1N(C)C(=O)N(C)C2=O,11.397506,14.48884159
Isoallolithocholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,11.40217,10.66640168
"PC(DiMe(13,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,11.412263,9.351430088
Previtamin D3,CC(C)CCC[C@@H](C)[C@H]1CCC2([H])C(=CCC[C@]12C)\C=C/C1=C(C)CC[C@H](O)C1,11.412747,12.09667772
CerP(d18:1/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,11.430343,3.540230542
Deoxyinosine,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC2=O,11.430935,2.600209042
Cortisone,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,11.434306,12.69551963
Ethenodeoxyadenosine,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CN1C=CN=C21,11.446818,5.23282066
Alpha-Trisaccharide,C[C@@H]1O[C@@H](OC[C@@](C)(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O,11.453746,0.166061625
3-Galactosyllactose,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)[C@H](O)[C@@H](O)C=O,11.469888,0.145306555
"PC(DiMe(11,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,11.470485,9.351430088
PIP(16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,11.478698,1.602208428
1-Salicylate glucuronide,O[C@@H]1[C@@H](O)[C@H](OC2=CC=CC=C2C(O)=O)O[C@@H]([C@H]1O)C(O)=O,11.496575,1.177263539
Glutamylvaline,CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,11.499341,1.189366449
Clopidogrel,[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl,11.50191,22.14374393
Ganglioside GM3 (d18:1/18:1(11Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,11.502821,1.283232309
"PC(DiMe(9,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,11.512478,9.07510668
1-Kestose,OC[C@H]1O[C@@](CO)(OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,11.533064,0.157348649
2-Methoxy-estradiol-17b 3-glucuronide,COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3C2=C1,11.535265,1.500948146
DHEA sulfate,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O,11.548205,12.55529821
Melezitose,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,11.548912,0.088292762
PIP2(16:1(9Z)/16:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,11.5551195,3.102659248
Anserine,CN1C=NC=C1C[C@H](NC(=O)CCN)C(O)=O,11.555409,2.931798063
5-Dehydroepisterol,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C,11.558498,12.37283498
Simvastatin,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC,11.565922,12.58667409
"PA(20:4(5Z,8Z,11Z,14Z)e/2:0)",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC[C@]([H])(COP(=O)(O)O)OC(C)=O,11.574011,8.56725499
Tauroursocholic acid,[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O,11.576695,2.953352034
Zolpidem,CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1,11.57945,24.03231561
Alanylalanine,C[C@H](N)C(=O)N[C@@H](C)C(O)=O,11.58571,1.947485842
"3b,15b,17a-Trihydroxy-pregnenone",[H]C1(O)C[C@](O)(CC)[C@@]2(C)CC[C@@]3([H])[C@@]([H])(CCC4([H])CC(O)=CC(=O)[C@]34C)[C@]12[H],11.588887,10.93332767
2'-O-Methyladenosine,COC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C12,11.600763,2.984147146
Isodesmosine,NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1CCCC(N)C(O)=O)C(O)=O,11.601115,0.175153464
Lacto-N-triaose,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O,11.604571,0.118959497
3-Methylcytosine,CN1C(N)=CC=NC1=O,11.609056,11.15862653
Histidinyl-Asparagine,NC(CC1=CN=CN1)C(O)=NC(CC(O)=N)C(O)=O,11.610583,0.648101931
Urothion,CSC1=C(SC2=C1N=C1C(=O)N=C(N)NC1=N2)C(O)CO,11.612406,1.944880188
Maltotriose,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,11.621599,0.08297874
8-Oxoguanine,OC1=NC(=N)N=C2NC(=O)N=C12,11.638259,1.187008992
Dextrin,OC[C@H]1OC(O[C@H]2[C@H](O)[C@@H](O)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,11.639442,0.08297874
D-Glucosaminide,N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OC2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O,11.642432,0.227681943
"3a,7a-Dihydroxycholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C,11.647742,5.773268268
27-Hydroxycholesterol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@@H](C)CO,11.649869,10.53307801
O-Phosphohomoserine,N[C@@H](CCOP(O)(O)=O)C(O)=O,11.653118,1.183429454
Galactosylceramide (d18:1/18:1(9Z)),CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,11.655561,2.449155413
Taurocholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,11.676719,2.953352034
7-Aminomethyl-7-carbaguanine,NCC1=CNC2=C1C(=O)NC(N)=N2,11.681338,1.186895836
"2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine",CC(=O)C(=O)C1=NC2=C(N=C(N)NC2=O)N(O)C1O,11.685846,1.369071566
Ethyltestosterone,[H][C@@]12CC[C@@](O)(CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,11.68695,12.31409013
17a-Hydroxypregnenolone,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,11.700331,13.4544149
7a-Hydroxy-5b-cholanic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,11.70425,10.09933949
Testosterone glucuronide,[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,11.709262,3.67926769
Imidazoleacetic acid riboside,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC(CC(O)=O)=C1,11.715692,3.180776536
Levan,OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO)(CO[C@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,11.734531,0.258076121
Lysyllysine,NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O,11.738141,0.296672527
Histidinyl-Cysteine,NC(CC1=CN=CN1)C(O)=NC(CS)C(O)=O,11.738544,2.141960338
Alanyllysine,C[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O,11.74482,0.514572859
7-Sulfocholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(O)=O,11.748757,2.345745824
Isodeoxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O,11.754419,5.72976619
20α-Hydroxycholesterol,CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,11.773604,9.846865386
"1,4-beta-D-Glucan",OC[C@@H]1O[C@H](O[C@]2(O)[C@@H](O)[C@H](O)[C@@H](O[C@]3(O)[C@@H](O)[C@H](O)[C@@H](O)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O,11.833654,0.102342339
1-Phosphatidyl-1D-myo-inositol 3-phosphate,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(=O)OC[C@@H](CC(O)=O)C(O)=O)[C@@H]1O,11.842612,0.255579222
"PE(DiMe(13,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.859094,2.439442463
"N,N-Dimethylaniline",CN(C)C1=CC=CC=C1,11.863004,46.18601203
"PE(DiMe(9,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.866707,2.439442463
"PE(DiMe(11,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.868348,2.439442463
"PE(DiMe(13,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.871439,2.439442463
"PE(MonoMe(13,5)/DiMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.872036,2.439442463
"PE(DiMe(13,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.872056,2.439442463
"PE(MonoMe(13,5)/DiMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.872316,2.439442463
"PE(DiMe(9,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.872484,2.472048439
"PE(MonoMe(13,5)/DiMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.873746,2.439442463
"PE(MonoMe(11,5)/DiMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.873845,2.439442463
"PE(MonoMe(9,5)/DiMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.875886,2.439442463
"PE(MonoMe(11,5)/DiMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.876483,2.665311843
"PE(MonoMe(11,5)/DiMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.876745,2.439442463
"PE(DiMe(9,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.877123,2.665311843
"PE(MonoMe(9,5)/DiMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.877506,2.472048439
"PE(MonoMe(9,5)/DiMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.879307,2.665311843
"PE(DiMe(11,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.879539,2.665311843
"PE(DiMe(11,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.881061,2.439442463
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide),[H][C@@]12CC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3,11.920061,1.214676816
"PE(DiMe(11,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.939943,2.665311843
Ganglioside GM2 (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(CC([C@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@@H](O)O3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,11.94157,1.440297347
"PE(DiMe(9,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.945481,2.472048439
5-Diphosphoinositol pentakisphosphate,OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,11.946222,0.304830284
Myo-inositol hexakisphosphate,OP(O)(=O)O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,11.94768,0.304830284
"PE(DiMe(13,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,11.951113,2.439442463
Endomorphin-1,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,11.952887,0.587806711
Cotinine N-oxide,CN1[C@@H](CCC1=O)C1=C[N+]([O-])=CC=C1,11.963851,14.69363868
"PE(MonoMe(11,3)/DiMe(9,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.974456,2.472048439
Tryptophyl-Tryptophan,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,11.975342,2.580570243
"PE(MonoMe(11,3)/DiMe(13,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.97589,2.439442463
Deoxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O,11.980606,5.773268268
Coutaric acid,CCC(CC)NC1=C(C=CC(=C1)C(O)=O)N1C(=O)CC[C@@]1(CN)CO,11.98066,3.891082108
7-Methylguanine,CN1C=NC2=C1C(=O)N=C(N)N2,11.981209,4.657753929
"PE(MonoMe(11,3)/DiMe(11,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,11.984516,2.665311843
5-Hydroxykynurenamine,NCCC(=O)C1=C(N)C=CC(O)=C1,11.998101,3.692453355
5a-Tetrahydrocortisol,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,12.00092,8.868803829
"PE(MonoMe(11,5)/DiMe(9,3))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,12.004994,2.472048439
"PE(MonoMe(11,5)/DiMe(11,3))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,12.014454,2.665311843
"PE(MonoMe(9,5)/DiMe(9,3))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,12.027479,2.322012931
Pyrrole,N1C=CC=C1,12.033474,51.51403546
"PE(MonoMe(9,5)/DiMe(11,3))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,12.0344,2.472048439
"PE(MonoMe(9,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,12.037779,2.901281789
"PE(MonoMe(13,5)/DiMe(9,3))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,12.037894,2.665311843
"PE(MonoMe(11,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,12.041254,2.655415609
"PE(DiMe(11,3)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,12.042351,2.472048439
"PE(DiMe(11,3)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,12.04531,2.665311843
"PE(MonoMe(13,5)/DiMe(11,3))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,12.045818,2.439442463
5-(2-Hydroxyethyl)-4-methylthiazole,CC1=C(CCO)SC=N1,12.047245,28.42811346
"PE(DiMe(9,3)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,12.063844,2.472048439
"PE(DiMe(9,3)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,12.074394,2.322012931
Risperidone,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1,12.075186,13.19739074
"24,25-Dihydroxyvitamin D",C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C,12.075771,4.556181282
"PE(DiMe(11,3)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,12.08191,2.439442463
"PE(MonoMe(11,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.082238,2.901281789
3-Methylglutaconyl-CoA,C\C(CC(O)=O)=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,12.084189,0.866221916
4-Hydroxydebrisoquine,NC(=N)N1CC(O)C2=C(C1)C=CC=C2,12.089461,6.699883193
"PE(MonoMe(9,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,12.094148,2.901281789
Uracil,O=C1NC=CC(=O)N1,12.10063,6.217631698
"PE(MonoMe(9,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.103039,2.690908499
"PE(MonoMe(11,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.107183,2.901281789
"PE(DiMe(9,3)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,12.11435,2.665311843
Lactodifucotetraose,C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,12.119671,0.209522177
4a-Methylfecosterol,[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C,12.123488,8.547807485
N5-Formyl-H4F,OC(=O)CCC(NC(=O)C1=CC=C(NCC2CNC3=C(N2C=O)C(O)=NC(=N)N3)C=C1)C(O)=O,12.131586,0.289737293
Oxolinic Acid,CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12,12.137707,23.4191373
"PE(MonoMe(13,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.139013,2.901281789
"PE(MonoMe(13,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.1607685,2.655415609
Tryptophyl-Histidine,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CN=CN1)C(O)=O,12.161143,1.975539327
Kynuramine,NCCC(=O)C1=C(N)C=CC=C1,12.16736,9.489605576
D-Phenyllactic acid,[H][C@](O)(CC1=CC=CC=C1)C(O)=O,12.178207,12.10277528
"PE(MonoMe(13,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.179734,2.655415609
Guanosine triphosphate adenosine,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@@]([H])(O)[C@@]2([H])O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@@]([H])(O)[C@@]1([H])O,12.196075,0.984072778
Hydroxyprolylhydroxyproline,O[C@H]1CN[C@@H](C1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,12.202726,3.051759489
"PE(DiMe(9,3)/DiMe(9,3))",CCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.202878,1.701462828
Diadenosine pentaphosphate,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,12.2055645,1.140099019
"PC(MonoMe(13,5)/DiMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.213135,8.867695928
"PE(DiMe(11,3)/DiMe(9,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.213356,2.322012931
"PE(DiMe(11,3)/DiMe(11,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.2148285,2.472048439
"PE(MonoMe(11,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,12.221894,2.901281789
Threonylproline,C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O,12.226723,4.093483463
Stachyose,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,12.229452,0.284999423
Endalin,OCC1CCC(O1)N1C=C(F)C(=N)N=C1O,12.234822,3.375151753
"PE(MonoMe(9,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,12.237783,2.690908499
"PE(DiMe(9,3)/DiMe(11,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,12.241117,2.322012931
4-alpha-Methyl-5-alpha-cholest-7-en-3-one,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,12.250803,6.521634758
5-Methoxydimethyltryptamine,COC1=CC2=C(NC=C2CCN(C)C)C=C1,12.257881,18.28130931
"PC(MonoMe(13,5)/DiMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.260437,8.479592204
"PC(MonoMe(11,5)/DiMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.2629795,9.351430088
"PE(MonoMe(13,5)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C,12.264237,2.901281789
L-3-Phenyllactic acid,O[C@H](CC1=CC=CC=C1)C(O)=O,12.267948,12.10277528
"PE(MonoMe(11,3)/MonoMe(9,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.272649,2.690908499
Imidazolone,O=C1CN=CN1,12.277972,44.66509223
"PE(MonoMe(11,3)/DiMe(9,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,12.286297,2.322012931
"PE(MonoMe(11,3)/MonoMe(13,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.287736,2.901281789
Cotinineglucuronide,CN1C(CCC1=O)C1=C[N+](=CC=C1)C1OC(C(O)C(O)C1O)C([O-])=O,12.287877,3.344950452
keratan sulfate I,CCCCOC1=C(OC)C=CC(CC2CN=C(O)N2)=C1,12.289418,14.42123801
Loperamide,CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1,12.293323,6.222330034
Phosphoribosyl-ATP,NC1=[N+](C=NC2=C1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O)C1OC(COP(O)(O)=O)C(O)C1O,12.293504,0.789245591
"PE(MonoMe(11,3)/MonoMe(11,5))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C,12.297108,2.901281789
ADP-Ribosyl-L-arginine,NC(CCC\N=C(/N)NC1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C(N)N=CN=C23)C(O)C1O)C(O)=O,12.3017,1.119726989
"PC(MonoMe(9,5)/DiMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.304102,9.351430088
heparan sulfate alpha-D-glucosaminide,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](OS(O)(=O)=O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(O)(=O)=O)[C@@H](O)O[C@@H]2COS(O)(=O)=O)O[C@H]1C(O)=O,12.308039,0.502791861
5a-Androst-3-en-17-one,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C=CCC[C@]12C,12.309303,21.25573307
"PE(MonoMe(11,3)/DiMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)=C1C,12.314678,2.472048439
Uroporphyrin II,COC(=O)CCC1=C(CCC(=O)OC)/C2=C/C3=N/C(=C\C4=C(C(=O)OC)C(CCC(=O)OC)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(=O)OC)=C4CC(=O)OC)/C(CCC(=O)OC)=C3CC(=O)OC,12.314974,14.85843956
Threonylhydroxyproline,C[C@@H](O)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O,12.317123,1.282872818
"PC(MonoMe(13,5)/DiMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.317159,9.351430088
Threonyltryptophan,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,12.318835,2.393812127
Aminoparathion,CCOP(=S)(OCC)OC1=CC=C(N)C=C1,12.323922,17.45810062
Adenosine octaphosphate,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,12.333505,0.891714916
"PE(DiMe(9,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.335495,2.322012931
Threonyltyrosine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,12.339832,1.15638515
"PE(DiMe(9,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.34401,2.472048439
"PE(DiMe(11,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.345164,2.472048439
"PC(MonoMe(9,5)/DiMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.345438,9.07510668
"PE(DiMe(11,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.348877,2.665311843
"PE(DiMe(9,3)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,12.349001,2.322012931
"PC(MonoMe(11,5)/DiMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.360268,9.351430088
"PE(DiMe(11,3)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,12.361849,2.472048439
"PC(MonoMe(11,5)/DiMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.365666,8.867695928
"PE(DiMe(9,3)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C,12.366552,2.322012931
"PE(DiMe(9,3)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,12.371361,2.472048439
Glutamylaspartic acid,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O,12.374568,0.253357831
(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H]1O,12.377527,0.352506875
"PE(DiMe(11,3)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,12.388076,2.472048439
"PE(DiMe(13,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.396452,2.665311843
"PE(DiMe(11,3)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,12.39841,2.665311843
"PC(MonoMe(9,5)/DiMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C,12.40019,9.351430088
"PE(DiMe(13,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,12.4025755,2.439442463
Lactosylceramide (d18:1/22:0),[H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,12.404172,1.387293823
Lacto-N-tetraose,CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,12.411847,0.352506875
"PE(DiMe(9,3)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,12.417189,2.665311843
Neolactotetraose,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O,12.42151,0.352506875
"PE(MonoMe(11,3)/MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCC)O2)=C1C,12.430128,2.690908499
Glycogen,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,12.446949,0.217515766
"PE(DiMe(11,3)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)O1,12.451907,2.439442463
trans-4-Hydroxycyclohexylacetic acid,O[C@H]1CC[C@H](CC(O)=O)CC1,12.454559,13.8726145
5-alpha-Dihydrotestosterone glucuronide,[H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,12.457216,3.67926769
Threonylphenylalanine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,12.480687,3.299446031
Maltotetraose,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,12.488397,0.217515766
"PE(DiMe(9,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,12.53144,2.472048439
8-Hydroxyadenine,NC1=NC=NC2=C1NC(O)=N2,12.54622,1.114785578
"PE(DiMe(11,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,12.54723,2.665311843
Rosiglitazone,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1,12.557759,13.37198466
N5-Carboxyaminoimidazole ribonucleotide,OC1C(COP(O)(O)=O)OC(C1O)N1C=NC=C1NC(O)=O,12.558579,0.788698718
"PE(DiMe(11,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,12.560795,2.439442463
"PE(DiMe(13,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,12.5949335,2.439442463
"PE(DiMe(13,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,12.598293,2.227481827
"PE(DiMe(13,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,12.600643,2.329431847
3-Iodothyronamine,NCCC1=CC(I)=C(OC2=CC=C(O)C=C2)C=C1,12.605578,14.54348713
Threonylhistidine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O,12.616177,1.508734934
6b-Hydroxymethandienone,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C,12.627803,13.1767571
"PE(DiMe(9,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)O1,12.634379,2.665311843
"PE(DiMe(9,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)O1,12.666406,2.439442463
"PE(DiMe(11,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)O1,12.675716,2.329431847
"PC(DiMe(13,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.751997,8.479592204
Fenpropimorph,C[C@H](CN1C[C@H](C)O[C@H](C)C1)CC1=CC=C(C=C1)C(C)(C)C,12.758797,16.44835323
Deoxycholic acid disulfate,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O,12.773809,2.24644877
Alpha-Tetrasaccharide,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O[C@]1([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O,12.775602,0.347231328
"PC(DiMe(9,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.81271,9.351430088
6-Methyladenine,CNC1=NC=NC2=C1NC=N2,12.814266,2.966979891
"PC(DiMe(13,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.817451,9.351430088
Neuromedin N,CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O,12.826753,0.881032739
"PC(DiMe(11,5)/MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.830883,8.867695928
"PC(DiMe(9,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.831351,9.07510668
"5a-Cholestane-3a,7a,12a,25-tetrol",[H][C@@]12CCC([C@H](C)CCCC(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C,12.835888,5.290823802
"PC(DiMe(13,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.850565,8.867695928
"PC(DiMe(11,5)/MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.868081,9.351430088
"PC(DiMe(9,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.873875,9.351430088
Tryptophyl-Arginine,NC(CC1=CNC2=CC=CC=C12)C(O)=NC(CCCNC(N)=N)C(O)=O,12.886159,0.764326192
"PC(DiMe(11,5)/MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C,12.888722,9.351430088
Allantoic acid,NC(=O)NC(NC(N)=O)C(O)=O,12.91021,0.489497045
N-acetyl-Muramic acid,[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)OC([H])(O)[C@]1([H])N=C(C)O)C(O)=O,12.945129,0.963131525
"4-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-[(Z)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2,3-dihydro-1-benzofuran-2-yl}benzene-1,2-diol",[H]\C(=C(/[H])C1=CC(O)=CC2=C1C(C(O2)C1=CC=CC=C1)C1=CC(O)=CC(O)=C1)C1=CC2=C(OC(C2C2=C3C(C(OC3=CC(O)=C2)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C2=CC(O)=C(O)C=C2)C=C1,12.954969,0.698934263
Omeprazole,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C,12.962079,21.68377042
5a-Dihydrotestosterone sulfate,[H][C@@]12CC[C@H](OS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,12.974035,12.55529821
"N-Succinyl-L,L-2,6-diaminopimelate",NC(CCC[C@H](NC(=O)CCC(O)=O)C(O)=O)C(O)=O,12.979542,0.298937433
Tetrahydrodeoxycorticosterone,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,12.982641,16.2673831
Seryltryptophan,NC(CO)C(O)=NC(CC1=CNC2=CC=CC=C12)C(O)=O,12.996571,2.24901624
Threoninyl-Tryptophan,CC(O)C(N)C(O)=NC(CC1=CNC2=CC=CC=C12)C(O)=O,13.000908,2.393812127
Histidinyl-Alanine,CC(N=C(O)C(N)CC1=CN=CN1)C(O)=O,13.03332,1.909853145
PIP2(16:1(9Z)/18:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,13.058938,2.25753244
D-Ribose 5-phosphate,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,13.062506,0.925927609
1-Naphthol,OC1=C2C=CC=CC2=CC=C1,13.063382,26.44185722
Selenocystathionine,NC(CC[Se]CC(N)C(O)=O)C(O)=O,13.093577,0.393509679
Lumisterol 3,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,13.142208,18.15123409
Allodeoxycholic acid,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,13.145464,5.773268268
Protoporphyrinogen IX,CC1=C2CC3=C(C)C(C=C)=C(CC4=C(C)C(C=C)=C(CC5=C(C)C(CCC(O)=O)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,13.172562,0.769272866
Vaccenyl carnitine,[H]\C(CCCCCC)=C(\[H])CCCCCCCCCCOC(CC([O-])=O)C[N+](C)(C)C,13.192595,9.306661785
Endomorphin-2,N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,13.20037,0.164524873
Dehydroandrosterone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](O)CC[C@]12C,13.202813,22.8745386
"(5Z,8Z)-3-Hydroxytetradecadienoylcarnitine",[H]\C(CCCCC)=C(/[H])CC([H])=C([H])CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,13.214497,11.013183
Pregnanetriol,[H][C@@]12CC[C@](O)(C(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,13.226909,13.23757917
Phenylalanyl-Alanine,CC(N=C(O)C(N)CC1=CC=CC=C1)C(O)=O,13.229411,3.886304796
Hypotaurine,NCCS(O)=O,13.239062,8.13844949
11-Ketoetiocholanolone,[H][C@@]12CCC(=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,13.243224,20.78238428
"(9Z,12Z)-3-Hydroxyhexadecadienoylcarnitine",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,13.243873,9.570904821
Linoelaidylcarnitine,[H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,13.248672,10.04720628
O-Linoleoylcarnitine,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,13.252065,10.04720628
Harderoporphyrinogen,CC1=C2CC3N=C(CC4N=C(CC5=NC(CC(N2)=C1CCC(O)=O)C(CCC(O)=O)=C5C)C(C)=C4C=C)C(C)=C3CCC(O)=O,13.253068,2.159800008
"(7Z,10Z)-Hexadecadienoylcarnitine",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,13.257737,10.37827134
Lysyl-Phenylalanine,NCCCCC(N)C(O)=NC(CC1=CC=CC=C1)C(O)=O,13.258702,0.855770614
Coproporphyrinogen III,CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,13.26615,0.742333196
Pyridoxamine 5'-phosphate,CC1=NC=C(COP(O)(O)=O)C(CN)=C1O,13.27693,1.992901042
Taurine,NCCS(O)(=O)=O,13.281974,4.281425849
Coproporphyrinogen I,CC1=C2CC3=C(CCC(O)=O)C(C)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,13.282743,0.742333196
Pyrogallol-1-O-sulphate,OC1=C(O)C(OS(O)(=O)=O)=CC=C1,13.282948,2.406025678
4-Hydroxyphenyl-beta-glucopyranoside,[H][C@]1(CO)O[C@@]([H])(OC2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,13.291166,1.813041046
D-Myo-inositol 4-phosphate,[H]C1(O)[C@]([H])(O)[C@]([H])(O)C([H])(OP(O)(O)=O)[C@]([H])(O)[C@@]1([H])O,13.296585,0.440196833
8-Isoprostaglandin F2a,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O,13.326359,5.244977027
Chenodeoxycholic acid 3-sulfate,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O,13.357388,3.596705943
7a-Hydroxycholesterol,[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@]2([H])[C@@]3([H])[C@]([H])(O)C=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,13.362659,10.24222746
Bolasterone,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CC(=O)CC[C@]12C,13.363548,16.12465531
1H-Indole-3-carboxaldehyde,O=CC1=CNC2=C1C=CC=C2,13.373547,33.14214051
Benzyl methyl sulfide,CSCC1=CC=CC=C1,13.387787,46.17723823
Indoleacrylic acid,OC(=O)\C=C\C1=CC2=C(N1)C=CC=C2,13.391744,19.78919208
"3b,12a-Dihydroxy-5a-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,13.404041,5.773268268
Galabiosylceramide (d18:1/26:1(17Z)),CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,13.408396,1.234751567
Keratan,CC(=O)N[C@@H]1[C@@H](O)C[C@@H](COS(O)(=O)=O)O[C@H]1O[C@H]1[C@@H](O)[C@@H](COS(O)(=O)=O)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H]3O)O[C@@H]2COS(O)(=O)=O)[C@@H]1O,13.421958,0.798401143
"16-alpha,17-beta-estriol 17-beta-D-glucuronide",[H][C@@]12C[C@@H](O)[C@H](O[C@@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,13.432073,0.94223693
Dihydrotestosterone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,13.441603,23.67449701
3-Sulfodeoxycholic acid,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@]2([H])[C@]1([H])[C@@]([H])(O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@]([H])(CC[C@]12C)OS(O)(=O)=O,13.44439,3.93346101
D-threo-Isocitric acid,O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O,13.44497,1.23718977
Indoleacetaldehyde,O=CCC1=CNC2=C1C=CC=C2,13.483453,25.59179068
gamma-Glutamylasparagine,N[C@@H](CCC(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O,13.493504,0.319034723
Loganin,[H][C@]1(O)C[C@]2([H])C(=CO[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]2([H])[C@@]1([H])C)C(=O)OC,13.494065,1.178262848
Tartaric acid,O[C@H]([C@@H](O)C(O)=O)C(O)=O,13.498248,1.262721699
Methylimidazoleacetic acid,CN1C=NC(CC(O)=O)=C1,13.511332,5.020224676
"Indole-5,6-quinone",O=C1C=C2NC=CC2=CC1=O,13.514145,15.55882394
Threonylserine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(O)=O,13.5181675,0.714534987
5b-Dihydrotestosterone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,13.522036,23.67449701
Beta-Leucine,CC(C)[C@@H](N)CC(O)=O,13.549138,7.377666235
Disialyllactose,[H][C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@@H](O)C(O)O[C@@H]1CO,13.551535,0.720832311
Alanyl-Aspartic acid,CC(N)C(O)=NC(CC(O)=O)C(O)=O,13.56983,1.866691001
"PC(DiMe(9,3)/DiMe(9,3))",CCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.590369,9.07510668
Tauroursodeoxycholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)CC2C[C@H](O)CC[C@]12C,13.594524,3.612614051
"PC(DiMe(11,3)/DiMe(11,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.610563,9.351430088
Methylarsonite,C[As](O)O,13.612812,16.61398858
p-Cresol glucuronide,CC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,13.624655,3.582536429
Hydroxymethylbilane,OCC1=C(CC(O)=O)C(CCC(O)=O)=C(CC2=C(CC(O)=O)C(CCC(O)=O)=C(CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=CN4)N3)N2)N1,13.626683,1.621325314
"beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose",[H][C@@]1(O)[C@@]([H])(CO)O[C@](O)(CO[C@@]2(CO)O[C@]([H])(CO)[C@@]([H])(O)[C@]2([H])O)[C@@]1([H])O,13.6312895,0.377613725
"PC(DiMe(11,3)/DiMe(9,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.63226,9.351430088
Finasteride,[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C,13.652609,12.99519986
"3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,13.703895,3.721470758
Estrone glucuronide,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3CC[C@@]21[H],13.720653,2.609321661
Lysylvaline,CC(C)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O,13.721914,0.280199526
Imidazolelactic acid,OC(CN1C=CN=C1)C(O)=O,13.726229,5.948727578
Capsianoside I,C\C(CC\C=C(/C)CC(O)\C=C(/C)C(O)=O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C,13.729116,0.54040309
2-naphthol,OC1=CC2=CC=CC=C2C=C1,13.736041,34.90462899
(5R)-5-Hydroxyhexanoic acid,C[C@@H](O)CCCC(O)=O,13.7370615,17.2475636
"TG(15:0/O-18:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,13.753699,6.964883208
Ciliatine,NCCP(O)(O)=O,13.754501,6.497255713
D-Urobilin,CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O,13.755999,3.412696347
"PC(DiMe(9,3)/DiMe(11,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,13.757614,9.351430088
2-Hydroxyethanesulfonate,OCCS(O)(=O)=O,13.762431,10.9490782
Calusterone,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2=CC(=O)CC[C@]12C,13.773884,16.12465531
"PC(DiMe(9,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.78186,9.351430088
"PC(DiMe(9,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.793084,9.351430088
O-Phosphothreonine,C[C@@H](OP(O)(O)=O)[C@H](N)C(O)=O,13.7963705,1.715802588
Dimethylarsinous acid,C[As](C)O,13.809584,25.23963451
"TG(15:0/22:2(13Z,16Z)/O-18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,13.813326,7.802833617
Methanesulfonic acid,CS(O)(=O)=O,13.814386,14.54828233
Not Found,OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,13.815328,1.542944834
Not Found,OC[C@H]1OC(O[C@H]2[C@H](O)[C@H](O)C(O[C@H]3[C@H](O)[C@H](O)C(O[C@H]4[C@H](O)[C@H](O)C(O[C@H]5[C@H](O)[C@H](O)C(O[C@H]6[C@H](O)[C@H](O)C(O[C@H]7[C@H](O)[C@H](O)C(O[C@H]8[C@H](O)[C@H](O)C(O[C@H]9[C@H](O)[C@H](O)C(O[C@H]%10[C@H](O)[C@H](O)C(O)O[C@@H]%10CO)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,13.82469,0.670249341
Not Found,OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,13.826873,1.542944834
Not Found,OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,13.826902,1.542944834
Not Found,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,13.833292,1.542944834
"PC(DiMe(11,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.836108,8.867695928
Not Found,OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,13.836324,2.065666392
N2-Succinyl-L-ornithine,NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O,13.836365,1.480611227
Not Found,OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,13.838036,1.633417606
"25,26-dihydroxyvitamin D",[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(O)CO)[C@@]1(C)CC\C(C2)=C\C=C1\C[C@@H](O)CCC1=C,13.847716,4.378681257
"PC(DiMe(11,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.849423,9.351430088
Cetirizine,OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,13.852729,8.161772043
D-Lactaldehyde,C[C@@H](O)C=O,13.855685,31.19878769
D-Lysine,NCCCC[C@@H](N)C(O)=O,13.858043,1.781235822
Scopolamine,CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,13.858172,14.80855495
D-Ornithine,NCCC[C@@H](N)C(O)=O,13.860595,2.085762098
Lactaldehyde,C[C@H](O)C=O,13.880194,31.19878769
4-Guanidinobutanoic acid,NC(=N)NCCCC(O)=O,13.882266,0.946862437
Selenocysteine,N[C@@H](C[SeH])C(O)=O,13.88942,4.927868396
Gestrinone,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],13.891949,19.78385299
"PC(DiMe(13,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.89722,8.479592204
"PC(DiMe(13,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,13.906234,8.867695928
2-Hydroxyfluorene,OC1=CC2=C(C=C1)C1=CC=CC=C1C2,13.911226,27.44553089
Thromboxane A2,CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O,13.915631,15.08785784
"p,p′-DDT",ClC1=CC=C(C=C1)C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl,13.916285,11.87014133
"o,p′-DDT",ClC1=CC=C(C=C1)C(C1=CC=CC=C1Cl)C(Cl)(Cl)Cl,13.948018,11.87014133
Threonylglutamic acid,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O,13.9816265,0.345179648
D-Lactic acid,C[C@@H](O)C(O)=O,13.983436,15.92603177
"7-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxyphenyl}-6,11-dihydroxy-3-(hydroxymethyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium",OCC1=CC2=C3C(OC(=C2O)C2=CC(O)=C(OC4OC(C(O)C(O)C4O)C(O)=O)C(O)=C2)=CC(O)=CC3=[O+]1,13.992939,0.384856015
(R)-3-Hydroxybutyric acid,C[C@@H](O)CC(O)=O,13.995148,18.13536584
Not Found,CC[C@H]1OC(OC2[C@H](C)[C@@H](NC(C)=O)C(OC[C@H]3OC(OC4[C@H](C)[C@@H](NC(C)=O)C(OCC5OC(OC6[C@@H](C)OC(C)[C@H](C)[C@H]6C)[C@H](C)C(OC6O[C@H](CC)[C@H](C)C(OC7O[C@H](CC)[C@H](C)[C@H](C)[C@H]7C)[C@H]6NC(C)=O)[C@H]5C)O[C@@H]4CC)[C@H](C)C(OC4O[C@H](CC)[C@H](C)C(OC5O[C@H](CC)[C@H](C)[C@H](C)[C@H]5C)[C@H]4NC(C)=O)[C@H]3C)O[C@@H]2CC)[C@H](C)[C@@H](C)[C@H]1C,14.000715,1.436339598
4-Chloromethandienone,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)C=C[C@]12C,14.006636,15.28398246
Methionyl-Alanine,CSCCC(N)C(O)=NC(C)C(O)=O,14.007883,2.989365347
Alendronic acid,NCCCC(O)(P(O)(O)=O)P(O)(O)=O,14.01259,0.14135571
Punicalagin,OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C3C(=O)OC4=C5C(C(=O)OC(C(O)=C2O)=C35)=C(C(O)=C4O)C2=C(C=C(O)C(O)=C2O)C(=O)OC1C1OC(=O)C2=C(O)C(O)=C(O)C=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC1C=O,14.0195265,0.7885525
"16,17-Epiestriol",[H][C@@]12C[C@H](O)[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,14.021501,10.70227399
"PC(DiMe(9,3)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.025677,9.351430088
"2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine",CN(C=O)C1=C(N)N=C(N)N=C1O,14.027946,1.460596919
Uroporphyrinogen I,OC(=O)CCC1=C2CC3=C(CC(O)=O)C(CCC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=C(CC5=C(CC(O)=O)C(CCC(O)=O)=C(CC(N2)=C1CC(O)=O)N5)N4)N3,14.045385,0.820930768
Uroporphyrinogen III,OC(=O)CCC1=C2CC3=C(CCC(O)=O)C(CC(O)=O)=C(CC4=C(CC(O)=O)C(CCC(O)=O)=C(CC5=C(CC(O)=O)C(CCC(O)=O)=C(CC(N2)=C1CC(O)=O)N5)N4)N3,14.051183,0.820930768
Ganglioside GM2 (d18:0/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.058706,1.496070344
"PC(DiMe(9,3)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.063472,9.351430088
DL-Homocystine,NC(CCSSCCC(N)C(O)=O)C(O)=O,14.063799,0.494302064
Ganglioside GM2 (d18:0/23:0),CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.066063,3.057133034
Ganglioside GM2 (d18:0/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.0662365,2.482545935
Ganglioside GM2 (d18:0/25:0),CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.068221,2.777944505
Ganglioside GM2 (d18:0/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.069042,2.777944505
Ganglioside GM2 (d18:0/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.072272,2.935078181
L-Lactic acid,C[C@H](O)C(O)=O,14.079513,15.92603177
"PC(DiMe(9,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,14.08033,9.351430088
"PC(DiMe(11,3)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.08358,9.351430088
Emopamil,CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1,14.087273,15.4846862
(R)-3-Hydroxyhexanoic acid,CCC[C@@H](O)CC(O)=O,14.09483,21.56401575
"PC(DiMe(9,3)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.096308,8.867695928
Asparaginyl-Methionine,CSCCC(N=C(O)C(N)CC(O)=N)C(O)=O,14.102947,0.443193922
gamma-Glutamylhydroxyproline,N[C@@H](CCC(=O)N1C[C@H](O)C[C@H]1C(O)=O)C(O)=O,14.10445,1.460209861
Malonamide,OC(=N)CC(O)=N,14.10519,3.20789963
"PC(DiMe(11,3)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.115163,8.867695928
Ganglioside GM2 (d18:1/23:0),CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.121808,2.618989535
Ganglioside GM2 (d18:0/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.122773,2.478777803
"o,p′-DDE",ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl,14.135538,11.64119318
"PC(DiMe(11,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,14.148117,8.867695928
"PC(DiMe(11,3)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.148495,8.479592204
"PC(DiMe(11,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,14.151058,8.479592204
Adipamide,OC(=N)CCCCC(O)=N,14.156025,8.142038435
UDP-4-dehydro-6-deoxy-D-glucose,C[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)C1=O,14.156441,0.432281848
Ganglioside GM2 (d18:1/16:0),CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.156505,1.806213334
Ganglioside GM2 (d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.1582775,1.609327458
"TG(14:0/14:0/20:4(8Z,11Z,14Z,17Z))",[H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,14.160382,7.440286875
"p,p′-DDE",ClC(Cl)=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,14.161996,11.64119318
Ganglioside GM2 (d18:1/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.169214,1.695930772
Ganglioside GM2 (d18:1/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.17179,3.327176347
Ganglioside GM2 (d18:1/25:0),CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.175237,3.023326397
Ganglioside GM2 (d18:1/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.179389,3.149050847
Ganglioside GM2 (d18:1/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.185941,1.695930772
TG(15:0/20:0/20:3n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,14.186258,7.528623194
"PC(DiMe(13,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,14.194234,8.479592204
"PC(DiMe(13,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,14.1943445,8.479592204
TG(20:0/15:0/20:3n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,14.203085,7.528623194
"PC(DiMe(13,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,14.210917,8.479592204
TG(22:0/15:0/20:3n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,14.224384,7.730449736
"p,p′-DDD",ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,14.229469,9.748389572
TG(15:0/22:0/20:3n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,14.234901,7.730449736
"o,p′-DDD",ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl,14.241598,9.748389572
"TG(15:0/22:2(13Z,16Z)/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.244813,8.290223032
TG(15:0/20:3n6/20:0),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,14.257588,7.528623194
Isoglobotriaose,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])C[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O,14.263291,0.133839215
"TG(15:0/20:2n6/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.268055,8.660506457
Creatine,CN(CC(O)=O)C(N)=N,14.276249,1.624460705
"TG(22:0/15:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,14.276383,7.730449736
Neuromedin N (1-4),CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H]([C@H](C)CC)C(O)=O,14.278053,0.610326277
TG(15:0/24:0/20:3n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,14.290441,7.399930805
"TG(15:0/20:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,14.292945,7.528623194
"TG(15:0/22:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,14.304989,7.730449736
"TG(15:0/22:2(13Z,16Z)/20:2n6)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.308407,8.660506457
"TG(20:0/15:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,14.308881,7.528623194
TG(15:0/20:3n6/22:0),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,14.309869,7.730449736
"TG(20:2n6/15:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,14.330222,8.660506457
(R)-2-Hydroxycaprylic acid,CCCCCC[C@@H](O)C(O)=O,14.336143,36.72268391
"PC(DiMe(9,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.337207,8.867695928
Guanine,NC1=NC(=O)C2=C(N1)N=CN2,14.351468,1.8754296
TG(15:0/20:3n6/24:0),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,14.353145,7.399930805
"5b-Cholestane-3a,7a,12a,23-Tetrol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC(O)CC(C)C,14.356488,5.572968349
Epi-coprostanol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,14.360171,15.96878171
"PC(DiMe(9,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.360199,8.479592204
"TG(15:0/24:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,14.364115,7.399930805
TG(15:0/20:3n6/24:1(15Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.372355,8.290223032
TG(15:0/20:3n6/22:1(13Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.375929,8.660506457
Cystathionine sulfoxide,N[C@@H](CCS(=O)C[C@H](N)C(O)=O)C(O)=O,14.380235,0.358174811
O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,14.382907,0.13190608
CerP(d18:1/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,14.383173,3.540230542
"TG(15:0/22:2(13Z,16Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.38388,7.528623194
"PC(DiMe(11,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1,14.383971,8.479592204
2-Amino-3-phosphonopropionic acid,NC(CP(O)(O)=O)C(O)=O,14.38572,1.344448701
"TG(22:0/18:2(9Z,12Z)/14:1(9Z))",[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.391543,7.528623194
(-)-Limonene,CC(=C)[C@@H]1CCC(C)=CC1,14.395503,47.79784381
TG(15:0/22:1(13Z)/20:3n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.400209,8.660506457
"TG(20:0/18:2(9Z,12Z)/14:1(9Z))",[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.402813,7.503015548
TG(15:0/24:1(15Z)/20:3n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.405782,8.290223032
TG(24:0/15:0/20:3n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,14.407223,7.399930805
CE(24:1),[H]\C(CCCCCCCCCCCCCCCCCC)=C(/[H])CCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],14.407573,1.643032581
Androsterone glucuronide,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,14.418618,3.67926769
Fexofenadine,CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,14.42519,1.488779671
Glyceric acid,OC[C@@H](O)C(O)=O,14.438525,3.1961523
Caffeine,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,14.444561,17.93880016
1-Methylhistamine,CN1C=NC(CCN)=C1,14.447416,17.01095402
"TG(18:1(11Z)/15:0/22:2(13Z,16Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,14.450338,7.528623194
"TG(15:0/20:3(5Z,8Z,11Z)/20:0)",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,14.457323,7.528623194
"TG(24:0/15:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,14.45916,7.399930805
Lithocholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,14.473097,10.66640168
"TG(15:0/20:3(5Z,8Z,11Z)/22:0)",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,14.484336,7.730449736
Dehydroepiandrosterone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,14.490303,22.8745386
Dolichyl b-D-glucosyl phosphate,OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(\C)CCC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1O,14.50442,1.488496084
PIP2(18:1(11Z)/18:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,14.51636,1.887632906
CerP(d18:1/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@]([H])(COP(=O)(O)O)[C@]([H])(O)\C=C\CCCCCCCCCCCCC,14.523486,3.540230542
"TG(15:0/18:1(11Z)/22:2(13Z,16Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,14.523694,7.528623194
"TG(15:0/20:3(5Z,8Z,11Z)/24:0)",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,14.526991,7.399930805
5a-Cholest-8-en-3b-ol,[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3)[C@H](C)CCCC(C)C,14.527197,18.62171739
TG(14:1(9Z)/14:1(9Z)/20:2n6),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCC,14.536562,7.440286875
Taurodeoxycholic acid,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,14.560286,3.612614051
"3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,14.565806,3.721470758
17a-Estradiol,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,14.574324,19.11019385
(+)-Limonene,CC(=C)[C@H]1CCC(C)=CC1,14.578755,47.79784381
Androstenol,[H][C@@]12CC=C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(O)CC[C@]12C,14.580836,21.32189423
Etiocholanolone glucuronide,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,14.590653,3.67926769
"DG(20:2(11Z,14Z)/22:0/0:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC,14.602781,7.84521997
Lathosterol,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,14.620596,18.62171739
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@H]1OC([C@@H](O)C(O)[C@H]1O)C(O)=O,14.635218,3.67926769
Toluene,CC1=CC=CC=C1,14.647221,54.42951918
"TG(20:0/18:3(9Z,12Z,15Z)/16:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,14.650527,8.434397727
PIP3(18:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,14.65602,1.887632906
(R)-3-Hydroxyisobutyric acid,C[C@H](CO)C(O)=O,14.660861,14.14053738
2-Hydroxybutyric acid,CC[C@H](O)C(O)=O,14.66496,16.22388512
(S)-3-Hydroxyisobutyric acid,C[C@@H](CO)C(O)=O,14.6733265,14.14053738
N6-beta-Aspartyllysine,N[C@@H](CCCCNC(=O)C[C@H](N)C(O)=O)C(O)=O,14.676675,0.335264113
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.677932,1.734911278
17-Hydroxyprogesterone,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,14.678101,15.36607146
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.679085,1.734911278
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.681097,1.734911278
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.68152,1.734911278
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.6816225,1.734911278
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.682326,1.734911278
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.682327,1.734911278
Not Found,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.682993,1.734911278
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.68361,1.849915646
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.684757,1.849915646
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.6853075,1.849915646
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.685324,1.849915646
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.6854725,1.849915646
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.685726,1.849915646
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.6858225,1.849915646
16-a-Hydroxypregnenolone,[H][C@@]12C[C@@H](O)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,14.68865,13.51702511
"TG(22:2(13Z,16Z)/15:0/O-18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@@]([H])(COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,14.692676,7.802833617
20a-Dihydroprogesterone,[H][C@@]12CC[C@H]([C@@H](C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,14.696817,20.53974569
"(S)-Propane-1,2-diol",C[C@H](O)CO,14.69902,20.47683746
Not Found,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,14.715753,1.479967963
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,14.7315035,1.47647718
Not Found,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O,14.743216,1.495575532
DG(18:0/0:0/14:1n5),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/CCCCCCCC,14.745008,7.96405822
"TG(20:0/18:3(9Z,12Z,15Z)/14:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCC,14.756124,8.405709267
"7b,12a-Dihydroxycholanoic acid",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O,14.762918,5.72976619
"DG(16:0/20:2(11Z,14Z)/0:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCCCC,14.769782,7.84521997
Glycyltyrosine,NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,14.785887,1.462227013
4a-Methylzymosterol,[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,14.795121,12.69764453
DG(16:0/0:0/16:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,14.797399,7.96405822
"TG(15:0/24:1(15Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,14.799818,8.290223032
DG(24:0/0:0/20:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,14.801775,7.84521997
"DG(18:0/18:2(9Z,12Z)/0:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCCCCCC,14.807814,7.84521997
L-Glyceric acid,OC[C@H](O)C(O)=O,14.8099985,3.1961523
DG(14:0/0:0/14:1n5),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCC\C=C/CCCCCCCC,14.815327,5.4581929
DG(22:0/0:0/14:1n5),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/CCCCCCCC,14.821884,7.84521997
"3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12CO,14.828859,3.367809951
N-Acetyl-L-tyrosine,CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,14.829253,5.57387583
DG(15:0/0:0/14:1n5),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC\C=C/CCCCCCCC,14.830057,5.183058232
DG(16:0/0:0/14:1n5),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/CCCCCCCC,14.833242,5.588813126
Adenine,NC1=C2NC=NC2=NC=N1,14.833257,3.068326227
DG(20:0/0:0/14:1n5),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/CCCCCCCC,14.834443,7.84521997
"TG(15:0/22:1(13Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,14.836047,8.660506457
N6-Acetyl-L-lysine,CC(=O)NCCCC[C@H](N)C(O)=O,14.837552,1.666336693
DG(15:0/0:0/16:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,14.847896,5.588813126
Diguanosine pentaphosphate,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1O[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@H](O)[C@@H]1O,14.850709,0.906191114
"TG(22:0/18:3(9Z,12Z,15Z)/14:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCC,14.857186,8.434397727
Glutamylglutamic acid,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O,14.860815,0.307868491
Guanosine pentaphosphate adenosine,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,14.86112,1.140099019
DG(22:0/0:0/16:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,14.867893,7.84521997
Trigonelline,CN1CC(=CC=C1)C(O)=O,14.868272,16.71789885
Selenomethionine,C[Se]CCC(N)C(O)=O,14.869995,4.792012647
Carbamoylphosphate,NC(=O)OP(O)(O)=O,14.877932,2.163179219
Cortisol,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,14.890792,5.525116622
"1,25-Dihydroxyvitamin D3-26,23-lactone",[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)C[C@H]1C[C@@](C)(O)C(=O)O1,14.891368,3.735136986
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.891406,1.523557864
Phenol,OC1=CC=CC=C1,14.893696,43.34526956
DG(16:0/0:0/18:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,14.895755,7.84521997
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.897016,2.136626467
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.898522,1.781030744
DG(22:0/0:0/18:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,14.901498,7.84521997
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.901726,2.059466392
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.901735,1.507542934
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.902511,1.781030744
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.904046,1.781030744
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,14.9070835,1.785298251
7'-Carboxy-gamma-tocotrienol,C\C(CCC(O)=O)=C/CC[C@]1(C)CCC2=CC(O)=C(C)C(C)=C2O1,14.912496,12.31619939
DG(24:0/0:0/22:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,14.920146,6.139148772
Asparaginylaspartic acid,N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O,14.92326,0.30228456
Not Found,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.928157,1.793336123
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.9295635,1.793336123
DG(24:0/0:0/24:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,14.93524,6.139148772
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.940286,1.595939696
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.945387,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.946484,1.498455647
DG(15:0/0:0/18:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,14.949598,7.64669925
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.952554,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,14.95329,1.363536343
4-Aminophenol,NC1=CC=C(O)C=C1,14.955316,10.73442772
"TG(18:1(9Z)/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6]",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,14.958168,8.980572969
7'-Carboxy-alpha-tocotrienol,C\C(CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,14.959997,12.67894208
2(R)-Hydroxyadipic acid,O[C@H](CCCC(O)=O)C(O)=O,14.960257,2.42152568
Carbamic acid,NC(O)=O,14.965073,2.120142616
D-2-Hydroxyglutaric acid,O[C@H](CCC(O)=O)C(O)=O,14.965778,1.515521389
"PS(DiMe(9,3)/DiMe(9,3))",CCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,14.992542,1.505829208
DG(20:0/0:0/16:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,14.994179,7.84521997
"PS(DiMe(11,3)/DiMe(9,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,14.999488,2.228447422
"PS(DiMe(11,3)/DiMe(11,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,15.000964,2.352157049
Glycine,NCC(O)=O,15.005649,4.928479344
Dextrorphan O-glucuronide,[H]C1(OC2=CC3=C(C[C@]4([H])N(C)CC[C@@]33CCCC[C@]43[H])C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,15.00723,3.091490828
L-Dopachrome,OC(=O)[C@@H]1CC2=CC(=O)C(=O)C=C2N1,15.017393,5.833529308
"TG(20:3(5Z,8Z,11Z)/15:0/24:1(15Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,15.020901,8.290223032
Dimethylallylpyrophosphate,CC(C)=CCO[P@](O)(=O)OP(O)(O)=O,15.03874,2.373485081
"TG(20:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",[H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCC,15.054359,8.405709267
DG(18:0/0:0/16:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,15.063302,7.84521997
DG(24:0/0:0/18:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,15.066883,7.84521997
"TG(20:3(5Z,8Z,11Z)/15:0/22:1(13Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,15.073939,8.660506457
(S)-3-Hydroxybutyric acid,C[C@H](O)CC(O)=O,15.084104,18.13536584
Cortexolone,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,15.085603,13.24467212
"TG(15:0/20:3(5Z,8Z,11Z)/24:1(15Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,15.086316,8.290223032
Docosanamide,CCCCCCCCCCCCCCCCCCCCCC(N)=O,15.091082,11.54201627
"PS(DiMe(9,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,15.092201,2.228447422
"TG(22:0/18:4(6Z,9Z,12Z,15Z)/14:1(9Z))",[H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCC,15.093314,8.980572969
TG(24:1(15Z)/15:0/20:3n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,15.097846,8.290223032
MG(24:1(15Z)/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,15.099222,8.319283277
"PS(DiMe(13,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,15.100068,2.119451575
"PS(DiMe(13,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,15.101853,2.216456831
"PS(DiMe(11,5)/DiMe(9,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,15.1041155,2.352157049
"PS(DiMe(11,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,15.108692,2.216456831
"PS(DiMe(9,5)/DiMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,15.109531,2.352157049
DG(20:0/0:0/18:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,15.1278,7.84521997
DG(24:0/0:0/18:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,15.132397,7.84521997
"TG(15:0/20:3(5Z,8Z,11Z)/22:1(13Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,15.132855,8.660506457
N-Alpha-ccetyllysine,CC(=O)N[C@@H](CCCCN)C(O)=O,15.142065,2.028759196
Vanillylamine,COC1=CC(CN)=CC=C1O,15.158322,5.694675073
"O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)OC=C(NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,15.163477,0.134976814
MG(22:1(13Z)/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,15.163598,9.327312559
TG(22:1(13Z)/15:0/20:3n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,15.16503,8.660506457
DG(18:0/0:0/18:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,15.168983,7.84521997
MG(20:1(11Z)/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,15.172002,9.411153197
"PS(DiMe(13,5)/MonoMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)O1,15.172952,2.321132272
DG(24:0/0:0/16:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,15.17852,7.84521997
"PS(DiMe(11,5)/MonoMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)O1,15.184312,2.321132272
"PS(DiMe(9,3)/DiMe(11,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.1904745,2.228447422
"PS(DiMe(9,5)/MonoMe(11,3))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)O1,15.191414,2.352157049
D-Dopachrome,OC(=O)[C@H]1CC2=CC(=O)C(=O)C=C2N1,15.191672,5.833529308
"3,4-Dihydroxybenzylamine",NCC1=CC=C(O)C(O)=C1,15.192261,6.678649038
MG(18:1(11Z)/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/CCCCCC,15.195994,10.4070738
5-Aminopentanamide,NCCCCC(N)=O,15.196534,5.842549726
D-Urobilinogen,CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(C=C)=C3C)N2)N1,15.208789,0.974980742
"TG(20:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))",[H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,15.210389,8.980572969
6β-Hydroxytestosterone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)CC[C@]12C,15.213532,15.6270504
PGP(18:0/16:0),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,15.229424,1.70133356
Triiodothyronine glucuronide,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C(I)=C1)C(O)=O,15.232777,0.26459482
Dehydroepiandrosterone 3-glucuronide,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,15.235357,3.839430958
TG(20:0/20:3n6/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,15.253257,8.660506457
N-Acetylornithine,CC(=O)N[C@@H](CCCN)C(O)=O,15.254461,2.212581411
Mesobilirubinogen,CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)=C3C)N2)N1,15.260465,0.994495116
L-Glutamic acid 5-phosphate,N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O,15.264489,1.410231274
TG(16:0/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,15.292966,7.414897531
TG(24:0/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,15.300395,7.52184093
TG(24:0/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,15.300942,7.313644141
"PS(DiMe(9,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,15.306816,2.352157049
xanthurenic acid 8-O-sulfate,OC(=O)C1=CC(=O)C2=CC=CC(OS(O)(=O)=O)=C2N1,15.307655,2.619937621
16a-Hydroxydehydroisoandrosterone,[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,15.321429,14.30632919
"PS(DiMe(11,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,15.329672,2.216456831
"PS(DiMe(11,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,15.335943,2.119451575
DG(16:0/16:1(9Z)/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,15.338231,7.96405822
"PS(DiMe(13,5)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,15.338439,2.119451575
TG(18:0/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,15.342685,7.414897531
"PS(DiMe(13,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,15.348533,2.119451575
"PS(DiMe(13,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,15.3498535,2.119451575
Alloepipregnanolone,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,15.350649,22.09049016
TG(24:0/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,15.351152,7.313644141
Imidazole-4-acetaldehyde,O=CCC1=CN=CN1,15.352424,26.10663474
TG(24:0/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,15.357903,7.313644141
TG(16:0/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,15.366367,7.414897531
"DG(16:1(9Z)/20:2(11Z,14Z)/0:0)",[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,15.373648,7.84521997
TG(15:0/14:1(9Z)/o-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,15.375922,7.414897531
4-(3-Pyridyl)-3-butenoic acid,OC(=O)C\C=C\C1=CN=CC=C1,15.382091,27.77700722
Isovalerylalanine,CC(C)CC(=O)N[C@@H](C)C(O)=O,15.397843,12.80600578
TG(22:0/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,15.402167,7.53634572
"PS(DiMe(9,3)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.407768,2.228447422
TG(22:0/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,15.408407,7.640308142
Obtusifoliol,CC(CCC=C(C)C)C1CCC2(CO)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3,15.409462,5.081549659
L-Urobilin,CCC1C(CC2=N\C(=C\C3=C(CCC(O)=O)C(C)=C(CC4NC(=O)C(CC)C4C)N3)C(CCC(O)=O)=C2C)NC(=O)C1C,15.411626,3.195604682
N-Methylformamide,CNC=O,15.426278,40.92521369
Formamide,NC=O,15.42966,16.34744853
DG(16:0/0:0/18:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,15.432702,7.84521997
Putrescine,NCCCCN,15.433622,10.56785583
"PS(DiMe(9,3)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.4347725,2.352157049
Hydroxyvalerylcarnitine,CCC(O)CC(O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,15.4354925,8.271929622
"2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid",[H][C@@]12C[C@H](O)[C@@H](O)C[C@]1(C)C1C[C@H](O)[C@]3(C)C(CCC3C1[C@H](O)C2)[C@@H](C)CCC(O)=O,15.435716,3.721470758
"PS(DiMe(9,3)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.438275,2.216456831
TG(20:0/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,15.439583,7.414897531
"PS(DiMe(11,3)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.440423,2.352157049
Val-Phe-Val-Tyr,CC(C)C(N)C(O)=NC(CC1=CC=CC=C1)C(O)=NC(C(C)C)C(O)=NC(CC1=CC=C(O)C=C1)C(O)=O,15.440573,0.665211072
"4a-Formyl-5a-cholesta-8,24-dien-3b-ol",CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C=O)C1CC3,15.441853,13.30271661
Cholesterol glucuronide,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)C,15.44705,1.664076932
"PS(DiMe(11,3)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.452433,2.216456831
TG(14:0/20:3n6/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,15.456898,7.440286875
TG(15:0/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,15.457694,7.414897531
"PS(DiMe(11,3)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.458865,2.119451575
DG(22:0/0:0/18:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,15.466131,7.84521997
Isovalerylglutamic acid,CC(C)CC(=O)N[C@@H](CCC(O)=O)C(O)=O,15.474118,2.962970547
Vasopressin,[H][C@](CCCCN)(N=C(O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSSC[C@]([H])(N)C(O)=N[C@@]([H])(CC2=CC=C(O)C=C2)C(O)=N[C@@]([H])(CC2=CC=CC=C2)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N1)C(O)=NCC(O)=N,15.476487,1.639711112
"3a,7a,12b-Trihydroxy-5b-cholanoic acid",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C)[C@H](C)CCC(O)=O,15.479104,4.317066818
TG(18:0/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,15.485142,7.414897531
Putreanine,[NH3+]CCCCNCCC(O)=O,15.485351,5.181824788
Argininosuccinic acid,N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O,15.493512,0.245986972
"DG(16:1(9Z)/18:2(9Z,12Z)/0:0)",[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,15.496721,7.84521997
TG(14:0/14:1(9Z)/20:3n6),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCC,15.49847,7.440286875
TG(24:0/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,15.500772,7.27744475
Tetrahydrocorticosterone,[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,15.501445,9.876513481
Tetrahydrodeoxycortisol,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,15.507749,9.329308569
Phytonadione,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O,15.51161,3.036307171
"PS(MonoMe(11,3)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.514952,2.321132272
"PS(MonoMe(11,3)/DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.516215,2.352157049
"PS(MonoMe(11,3)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.521602,2.321132272
5'-Carboxy-alpha-chromanol,CC(CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C)C(O)=O,15.522087,14.2881453
7'-Carboxy-alpha-chromanol,CC(CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C)CCC(O)=O,15.527079,11.70454696
DG(15:0/0:0/18:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,15.530359,7.64669925
Allocystathionine,N[C@@H](CCSCC(N)C(O)=O)C(O)=O,15.531751,0.319922366
TG(20:0/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,15.559481,7.802833617
Isobutyryl-L-carnitine,CC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,15.568806,29.1665107
Glycochenodeoxycholic acid 3-glucuronide,[H][C@@](C)(CCC(O)=NCC(O)=O)C1([H])CC[C@@]2([H])[C@]3([H])C([H])(O)C[C@]4([H])C[C@@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,15.570976,0.635663373
Pyrroloquinoline quinone,OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(O)=O)C(=O)C2=O,15.585208,1.328670233
DG(16:0/0:0/22:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,15.587511,7.84521997
DG(18:0/0:0/18:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,15.612402,7.84521997
"PS(DiMe(11,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.617862,2.119451575
Pyridinoline,N[C@@H](CCC1=C[N+](C[C@H](O)CC[C@H](N)C([O-])=O)=CC(O)=C1C[C@H](N)C(O)=O)C(O)=O,15.619969,0.271274382
"PS(DiMe(9,5)/DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.620315,2.216456831
"PS(DiMe(9,5)/DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,15.625077,2.119451575
Phosphorylcholine,C[N+](C)(C)CCOP(O)(O)=O,15.635038,14.6463275
"TG(20:0/18:3(6Z,9Z,12Z)/14:1(9Z))",[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,15.637048,8.405709267
Cysteine-S-sulfate,N[C@@H](CSS(O)(=O)=O)C(O)=O,15.644662,1.829536445
"3,3',4'5-Tetrahydroxystilbene",OC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(O)=C1,15.648945,10.62754691
Hydroxybutyrylcarnitine,CC(O)CC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,15.657477,11.1084789
"DG(14:1(9Z)/20:2(11Z,14Z)/0:0)",[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,15.658628,7.84521997
4-Aminobutyraldehyde,NCCCC=O,15.665049,23.43894988
DG(15:0/0:0/22:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,15.682313,7.84521997
"TG(14:0/14:1(9Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,15.690991,7.440286875
Resveratrol,OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1,15.697465,13.73672336
B-Trisaccharide,[H][C@](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H](O)C(O)CO)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C=O,15.701503,0.161202252
"TG(20:0/18:3(6Z,9Z,12Z)/16:1(9Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,15.702003,8.434397727
"TG(22:0/18:3(6Z,9Z,12Z)/14:1(9Z))",[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,15.704374,8.434397727
Cinnavalininate,NC1=C(C(O)=O)C2=NC3=C(C=CC=C3OC2=CC1=O)C(O)=O,15.710919,2.980668098
Diethylthiophosphate,CCOP(O)(=S)OCC,15.7173,27.09670365
Spermine,NCCCNCCCCNCCCN,15.720952,1.995675638
TG(16:0/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,15.72104,7.414897531
3-Aminopropionaldehyde,NCCC=O,15.740705,23.43894988
TG(14:1(9Z)/14:0/20:3n6),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCC,15.740864,7.440286875
3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose,C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,15.7458725,0.244012498
"Thymidine 3',5'-cyclic monophosphate",CC1=CN([C@H]2CC3OP(O)(=O)OCC3O2)C(=O)NC1=O,15.765766,3.636301681
Lys-Asp-Tyr,[H][C@](N)(CCCCN)C(O)=N[C@@]([H])(CC(O)=O)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=O,15.766387,0.323842489
18-Oxocortisol,[H][C@@]12CC[C@@](O)(C(=O)CO)[C@]1(CC([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O,15.767101,5.027202144
DG(22:0/0:0/22:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,15.770094,7.84521997
DG(20:0/0:0/18:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,15.794414,7.84521997
Glycylprolylhydroxyproline,NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)[C@H]1C(O)=O,15.795268,2.302004583
Aminopropylcadaverine,NCCCCCNCCCN,15.796508,6.359603256
TG(24:0/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,15.798526,7.640308142
"3a,12b-Dihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,15.804948,5.773268268
1-Undecanol,CCCCCCCCCCCO,15.806499,60.51486135
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide],O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)=O)O[C@@H]([C@H]1O)C(O)=O,15.808813,0.306044077
DG(19:0/22:1(13Z)/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,15.812919,7.84521997
Glutaminylphenylalanine,[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=O,15.81619,0.443187077
TG(22:0/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,15.817654,7.640308142
"Vitamin K1 2,3-epoxide",CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(C)C(=O)C1=C(C=CC=C1)C2=O,15.821163,3.140282258
UDP-L-arabinose,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,15.828623,0.338149164
Vitamin K1,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=C(C)C(=O)C2=CC=CC=C2C1=O,15.831739,3.036307171
TG(15:0/18:1(9Z)/o-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,15.8321495,7.414897531
Methionyl-Gamma-glutamate,CSCCC(N)C(=O)NC(=O)CCC(N)C(O)=O,15.833327,0.306677376
2-Hydroxy-3-methylbutyric acid,[H][C@](O)(C(C)C)C(O)=O,15.837043,18.29692423
Lysyl-Gamma-glutamate,NCCCCC(N)C(=O)NC(=O)CCC(N)C(O)=O,15.841613,0.219971337
Arginyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CCCNC(N)=N)C(O)=O,15.8439865,0.291858264
Glutaminylhistidine,[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CN=CN1)C(O)=O,15.846153,0.726476917
Threonylleucine,CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(O)=O,15.848307,1.625549048
BOX A,CC1=C(C=C)\C(NC1=O)=C\C(N)=O,15.866968,5.587413162
Dityrosine,NC(CC1=CC(O)=C(C=C1)C1=CC=C(CC(N)C(O)=O)C=C1O)C(O)=O,15.876529,0.608428428
Cadaverine,NCCCCCN,15.877136,7.213017344
TG(24:0/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,15.879168,7.53634572
DG(24:0/0:0/14:1n5),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/CCCCCCCC,15.882335,7.84521997
Allochenodeoxycholic acid,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@@]2([H])C[C@H](O)CC[C@]12C,15.882693,5.773268268
Codeine,[H]C12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)C([H])(C4)C1([H])C=C[C@]2([H])O,15.892084,27.45800316
Demethylphylloquinone,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1=CC(=O)C2=CC=CC=C2C1=O,15.897908,2.933395468
"TG(14:0/20:3(5Z,8Z,11Z)/14:1(9Z))",[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCCC,15.907987,7.440286875
TG(14:0/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,15.910381,7.414897531
TG(18:0/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,15.922233,7.802833617
CMP-N-glycoloylneuraminate,[H][C@](O)(COP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)[C@]1([H])O)C([H])(O)[C@]1([H])O[C@@](O)(C[C@]([H])(O)C1([H])N=C(O)CO)C(O)=O,15.927493,0.337510044
DG(22:0/0:0/20:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,15.928829,7.84521997
"Inositol 1,3,4-trisphosphate",O[C@@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O,15.929421,0.370243005
Alanyl-Gamma-glutamate,CC(N)C(=O)NC(=O)CCC(N)C(O)=O,15.937161,0.268531148
TG(22:0/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,15.944155,7.313644141
Diethylphosphate,CCOP(O)(=O)OCC,15.965001,20.73892355
Chondroitin sulfate,CC(=O)N[C@H]1[C@H](O)O[C@H](OS(O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,15.969526,0.315672578
"2,3-Diaminosalicylic acid",NC1=CC=C(O)C(C(O)=O)=C1N,15.970824,0.812391005
"2',3'-Dihydro-phytomenadione",CC(C)CCCC(C)CCCC(C)CCCC(C)CCC1=C(C)C(=O)C2=CC=CC=C2C1=O,15.98881,3.036307171
Xanthine,O=C1NC2=C(NC=N2)C(=O)N1,15.998958,1.536492631
Diethylamine,CCNCC,16.00011,27.85496414
1-Methylguanine,CN1C(N)=NC2=C(NC=N2)C1=O,16.009817,3.511627391
Reduced Vitamin K (phylloquinone),[H]\C(CC12OC1(C)C(O)C1=CC=CC=C1C2O)=C(\C)CCCC(C)CCCC(C)CCCC(C)C,16.0146,2.840191126
Lysylalanine,C[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O,16.01605,0.348219625
Spermine dialdehyde,O=CCCNCCCCNCCC=O,16.018213,13.69562298
Lipoyllysine,N[C@H](CCCCNC(=O)CCCCC1CCSS1)C(O)=O,16.024685,3.774121031
"23S,25-dihydroxyvitamin D3",OC(C[C@@H](C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C)CC(O)(C)C,16.028894,4.478713125
DG(16:0/0:0/20:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.034332,7.84521997
TG(20:0/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,16.035326,7.53634572
DG(18:0/0:0/22:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.03653,7.84521997
5-Methylthioribose 1-phosphate,[H][C@]1(O)[C@@]([H])(O)C([H])(OP(O)(O)=O)O[C@@]1([H])CSC,16.057283,3.51328738
3-b-Galactopyranosyl glucose,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)([C@@H](O)C=O)[C@H](O)[C@H](O)CO,16.065815,0.217853999
Tiglylcarnitine,C\C=C(/C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,16.073591,31.74638748
Sumatriptan,CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)C)C=C1,16.081425,8.73786509
1-Methylhypoxanthine,CN1C=NC2=C(NC=N2)C1=O,16.081976,5.634050444
"3a,16b-Dihydroxyandrostenone",[H][C@@]12C[C@H](O)C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C,16.082329,17.46364981
Diethanolamine,OCCNCCO,16.091997,10.55737957
TG(22:0/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.112581,7.313644141
Not Found,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,16.122614,1.542944834
DG(18:0/0:0/20:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.143269,7.84521997
DG(15:0/0:0/20:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.150043,7.84521997
Glutaminylaspartic acid,N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O,16.16476,0.319034723
Rosmarinic acid,OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=CC(O)=C(O)C=C1,16.167229,0.647882558
TG(16:0/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,16.178514,7.414897531
TG(22:0/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.182156,7.52184093
Molybdopterin precursor Z,NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP(O)(=O)OCC1O,16.193136,1.162684523
"PS(MonoMe(11,3)/DiMe(9,3))",CCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,16.203384,2.07159631
Methionine sulfoxide,CS(=O)CC[C@H](N)C(O)=O,16.209333,5.730404332
DG(20:0/0:0/22:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.213243,7.84521997
Methanethiol,CS,16.223852,35.00002921
Allyl isothiocyanate,C=CCN=C=S,16.230724,45.04763484
Aldosterone 18-glucuronide,[H][C@]12CC3(C([H])(O[C@]4([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)O1)[C@]([H])(CCC3([H])C1([H])CCC3=CC(=O)CC[C@]3(C)[C@@]21[H])C(=O)CO,16.234686,0.567198358
gamma-Hexachlorocyclohexane(HCH),[H][C@]1(Cl)[C@]([H])(Cl)[C@@]([H])(Cl)[C@@]([H])(Cl)[C@]([H])(Cl)[C@@]1([H])Cl,16.237724,21.40840888
beta-Hexachlorocyclohexane(HCH),[H][C@]1(Cl)[C@]([H])(Cl)[C@@]([H])(Cl)[C@]([H])(Cl)[C@@]([H])(Cl)[C@]1([H])Cl,16.25434,21.40840888
Tryptophyl-Tyrosine,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,16.255749,2.711793035
Tryptophyl-Phenylalanine,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CC=CC=C1)C(O)=O,16.259228,5.930841342
delta-Hexachlorocyclohexane,[H][C@]1(Cl)[C@]([H])(Cl)[C@@]([H])(Cl)[C@]([H])(Cl)[C@]([H])(Cl)[C@]1([H])Cl,16.264395,21.40840888
alpha-Hexachlorocyclohexane(HCH),[H][C@]1(Cl)[C@@]([H])(Cl)[C@]([H])(Cl)[C@]([H])(Cl)[C@@]([H])(Cl)[C@]1([H])Cl,16.269888,21.40840888
"PS(MonoMe(11,3)/DiMe(11,3))",CCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,16.274712,2.352157049
Acetaldehyde oxime,C\C=N\O,16.278193,41.09111428
TG(14:0/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,16.280891,7.414897531
TG(18:0/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,16.282131,7.802833617
Phe-Phe-Pro-Arg,NC(CC1=CC=CC=C1)C(O)=NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(O)=NC(CCCNC(N)=N)C(O)=O,16.283564,0.418359088
5alpha-Cholestanone,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,16.312338,7.652395964
19-Norandrosterone 3-glucuronide,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@]([H])(CC[C@]12[H])O[C@]1([H])OC([H])(C(O)=O)[C@@]([H])(O)C([H])(O)C1([H])O,16.319792,2.896725945
DG(22:0/0:0/24:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.320265,6.139148772
"TG(14:1(9Z)/14:0/20:3(5Z,8Z,11Z))",[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCCCC)OC(=O)CCCCCCCCCCCCC,16.328142,7.440286875
Ethylphosphate,CCOP(O)(O)=O,16.361279,14.18190598
Pyruvatoxime,C\C(=N/O)C(O)=O,16.362196,14.37980533
Asn-Arg-Ala-Ile,CCC(C)C(N=C(O)C(C)N=C(O)C(CCCNC(N)=N)N=C(O)C(N)CC(O)=N)C(O)=O,16.364534,0.274320296
7C-aglycone,C\C(CCC(O)=O)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,16.367916,20.08725107
Val-Tyr-Leu-Arg,CC(C)CC(N=C(O)C(CC1=CC=C(O)C=C1)N=C(O)C(N)C(C)C)C(O)=NC(CCCNC(N)=N)C(O)=O,16.368998,0.415364932
Ganglioside GM2 (d18:0/26:1(17Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,16.376251,2.478777803
DG(16:0/0:0/24:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.37748,7.84521997
5Alpha-cholesta-8-en-3-one,CC(C)CCCC(C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)CC1CC3,16.3935,8.923707902
Tyrosyl-Tryptophan,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,16.400446,2.711793035
Ganglioside GM2 (d18:0/18:1(11Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,16.405516,1.334953308
7a-Hydroxy-5b-cholestan-3-one,CC(C)CCCC(C)C1CCC2C3[C@@H](O)CC4CC(=O)CC[C@]4(C)C3CC[C@]12C,16.40902,12.57085502
Ganglioside GM2 (d18:0/18:1(9Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,16.426826,1.334953308
Tetrahydroaldosterone-3-glucuronide,[H]C1(O)O[C@@]2([H])CC11[C@]([H])(CCC1([H])C1([H])CCC3([H])CC([H])(CC[C@]3(C)[C@]21[H])O[C@]1([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O)C(=O)CO,16.42685,0.545586459
Ganglioside GM2 (d18:0/24:1(15Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.427952,2.478777803
Ganglioside GM2 (d18:0/22:1(13Z)),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.433378,2.618989535
DG(15:0/0:0/24:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.46319,7.84521997
"PS(MonoMe(9,5)/DiMe(9,3))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,16.465319,2.07159631
"3a,6b,7b-Trihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C,16.466429,4.317066818
O-Phosphoethanolamine,NCCOP(O)(O)=O,16.470013,2.597936243
Asparaginyl-Tryptophan,NC(CC(N)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,16.47022,1.962409541
Formiminoglutamic acid,OC(=O)CC[C@H](NC=N)C(O)=O,16.472168,1.276210044
Ganglioside GM2 (d18:0/16:0),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,16.472696,1.510944124
Gamma-glutamyl-L-putrescine,NCCCCNC(=O)CC[C@H](N)C(O)=O,16.492435,0.337214465
Chitotriose,N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1N)[C@H](O)CO,16.493898,0.278417766
"PS(MonoMe(11,3)/MonoMe(11,3))",CCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)O1,16.5026,2.560402453
Ganglioside GM2 (d18:0/12:0),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,16.513407,1.041593868
Gamma Glutamylglutamic acid,N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O,16.516663,0.307868491
TG(16:0/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.516867,7.53634572
Threonylglutamine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O,16.517063,0.341014913
"PS(MonoMe(11,5)/DiMe(9,3))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,16.524199,2.352157049
"[2,6-dihydroxy-4-(3-hydroxy-7-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7H-chromen-2-yl)phenoxy]dihydroxyoxo-λ⁶-sulfanylium",OCC1OC(OC2=CC(=O)C=C3OC(=C(O)C=C23)C2=CC(O)=C(O[S+](O)(O)=O)C(O)=C2)C(O)C(O)C1O,16.52488,0.269495253
Ganglioside GM2 (d18:0/14:0),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,16.526371,1.47109786
Lactosamine,N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,16.537498,0.260096695
DG(20:0/0:0/20:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.53999,7.84521997
TG(20:0/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,16.547436,7.53634572
DG(18:0/0:0/24:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.552029,7.84521997
L-Malic acid,O[C@@H](CC(O)=O)C(O)=O,16.556925,1.63517613
Picrocrocin,[H][C@]1(CC(C)=C(C=O)C(C)(C)C1)O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@]1([H])O,16.58177,6.780487299
"1b,3a,7a-Trihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)C[C@@H](O)[C@]12C,16.582096,4.317066818
"CE(DiMe(9,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,16.588055,1.431800704
"CE(DiMe(13,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,16.588081,1.431800704
"CE(DiMe(11,5))",CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,16.588406,1.431800704
TG(18:0/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.612442,7.640308142
Glutamylserine,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O,16.613342,0.32634621
"{2,6-dihydroxy-4-[7-oxo-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-7H-chromen-2-yl]phenoxy}dihydroxyoxo-λ⁶-sulfanylium",OCC1OC(OC2=CC(=O)C=C3OC(=C(OC4OC(CO)C(O)C(O)C4O)C=C23)C2=CC(O)=C(O[S+](O)(O)=O)C(O)=C2)C(O)C(O)C1O,16.617376,0.446018018
"CE(DiMe(11,3))",CCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,16.621405,1.431800704
Aspartyl-Tryptophan,NC(CC(O)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,16.621685,1.864181086
"PS(MonoMe(11,5)/DiMe(11,3))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,16.624664,2.321132272
Beta-Alanine,NCCC(O)=O,16.628757,5.918478593
TG(18:0/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.62926,7.53634572
Hyaluronic acid,[H][C@]1(CO)O[C@@]([H])(OC)[C@]([H])(N=C(C)O)[C@@]([H])(O[C@@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(OC)[C@]([H])(O)[C@@]2([H])O)[C@]1([H])O,16.629889,0.453056209
"CE(DiMe(9,3))",CCCC1=C(C)C(C)=C(CCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)O1,16.632212,1.597145945
"PS(MonoMe(9,5)/DiMe(11,3))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,16.63281,2.352157049
6-(alpha-D-Glucosaminyl)-1D-myo-inositol,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,16.641708,0.53755776
"CE(MonoMe(13,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=C1C,16.643452,1.431800704
Donepezil,COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1,16.649141,21.58009857
TG(16:0/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.650877,7.802833617
TG(15:0/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.652262,7.802833617
"3b,7b,12a-Trihydroxy-5b-cholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12C,16.65323,4.317066818
N-Ethylglycine,CCNCC(O)=O,16.655973,14.63474333
"CE(MonoMe(11,5))",[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=C1C,16.660128,1.431800704
"PS(DiMe(9,3)/MonoMe(11,3))",CCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,16.66074,2.07159631
"CE(MonoMe(9,5))",[H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=C1C,16.667046,1.431800704
"CE(MonoMe(11,3))",[H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCCC(C)C)=C1C,16.674128,1.431800704
Sarcosine,CNCC(O)=O,16.686289,10.42100489
Tetrahexosylceramide (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,16.69628,1.717427559
CE(19:0),[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCCCCCCCCCCCCCC)[C@H](C)CCCC(C)C,16.703342,1.853766479
Leu-Arg-Leu-Ile,CCC(C)C(N=C(O)C(CC(C)C)N=C(O)C(CCCNC(N)=N)N=C(O)C(N)CC(C)C)C(O)=O,16.7061,0.646706112
(S)-2-Aceto-2-hydroxybutanoic acid,CC[C@](O)(C(C)=O)C(O)=O,16.706867,11.38222814
"PS(DiMe(11,3)/MonoMe(11,3))",CCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,16.711449,2.352157049
DG(14:0/0:0/18:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,16.713629,7.96405822
Noradrenochrome,OC1CN=C2CC(=O)C(=O)C=C12,16.715528,12.40320653
DG(14:0/0:0/16:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,16.718008,5.588813126
"(2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λ⁶-sulfanylium",CC1=CC2=C3C(O1)=CC(=O)C=C3OC(=C2O)C1=CC(O)=C(OS(O)(=O)=O)C(O)=C1,16.719944,1.269929763
L-2-Hydroxyglutaric acid,O[C@@H](CCC(O)=O)C(O)=O,16.720856,1.515521389
"{2,6-dihydroxy-4-[4-hydroxy-7-(hydroxymethyl)-11-oxo-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl]phenoxy}dihydroxyoxo-λ⁶-sulfanylium",OCC1=CC2=C3C(O1)=CC(=O)C=C3OC(=C2O)C1=CC(O)=C(OS(O)(=O)=O)C(O)=C1,16.727354,0.681352196
6-Succinoaminopurine,OC(=O)CCC(=O)NC1=C2NC=NC2=NC=N1,16.736115,2.57290341
Tryptophyl-Methionine,CSCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,16.738142,4.886964336
Methionyl-Histidine,CSCCC(N)C(=O)NC(CC1=CN=CN1)C(O)=O,16.741543,2.627002075
"7,11-Dioxolanost-8-en-3-yl acetate",CC(C)CCCC(C)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3=O,16.747248,1.740767062
"Delta 8,14 -Sterol",[H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C,16.75193,8.007636666
Uridine diphosphate acetylgalactosamine 4-sulfate,CC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](OS(=O)(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O)[C@H](O)CO,16.773346,0.339231011
DG(20:0/0:0/24:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.773712,7.84521997
4-Dihydroboldenone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)C=C[C@]12C,16.77486,24.76702183
Nonate,CCCCC[C@@H](CC(O)=O)C(O)=O,16.78124,38.7591213
Quercetin,OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1,16.786505,0.859734975
Isoleucyl-Tryptophan,CCC(C)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,16.797028,6.069275737
Tryptophyl-Lysine,NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,16.811514,1.313470118
Apigenin,OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,16.818684,9.961778671
5-Pyridoxolactone,CC1=NC=C2C(=O)OCC2=C1O,16.820124,9.262955934
TG(15:0/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.825998,7.414897531
Protopine,CN1CCC2=C(C=C3OCOC3=C2)C(=O)CC2=C(C1)C1=C(OCO1)C=C2,16.831823,23.58227223
Tryptophyl-Alanine,CC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,16.839418,2.15038415
Tricetin,OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C(O)=C1,16.843067,0.859734975
Kaempferol,OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O,16.85142,4.546568543
Luteolin,OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C(O)=C1,16.855183,5.039358512
"PS(MonoMe(13,5)/DiMe(9,3))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,16.863049,2.321132272
TG(20:0/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.874146,7.313644141
18-Hydroxycortisol,[H][C@@]12CC[C@@](O)(C(=O)CO)[C@@]1(CO)CC([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,16.89208,4.456995428
Orotidylic acid,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O,16.91537,0.829762593
Indoleacetyl glutamine,NC(=O)CCC(NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O,16.92414,2.009181678
5-Hydroxy-N-formylkynurenine,NC(CC(=O)C1=C(NC=O)C=CC(O)=C1)C(O)=O,16.930605,1.930502057
TG(16:0/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.947739,7.640308142
3-Methyladipic acid,C[C@@H](CCC(O)=O)CC(O)=O,16.958023,24.12183732
Tryptophyl-Threonine,CC(O)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,16.964972,3.056520224
2-Oxo-3-hydroxy-4-phosphobutanoic acid,O[C@H](COP(O)(O)=O)C(=O)C(O)=O,16.982813,1.082039718
Butyrylcarnitine,CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,16.983137,31.02633357
TG(18:0/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,16.983208,7.313644141
Cysteinyl-Histidine,NC(CS)C(=O)NC(CC1=CN=CN1)C(O)=O,16.987751,3.690053523
Histidinyl-Proline,NC(CC1=CN=CN1)C(=O)N1CCCC1C(O)=O,16.991873,2.838254906
"TG(22:0/15:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,16.992302,8.660506457
DG(20:0/22:1(13Z)/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.994436,7.84521997
Ganglioside GM2 (d18:1/22:1(13Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,16.995808,2.618989535
TG(20:0/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,16.99833,7.640308142
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,17.00049,2.814189903
Phenylalanyl-Glycine,NC(CC1=CC=CC=C1)C(O)=NCC(O)=O,17.002748,3.543699533
Ganglioside GM2 (d18:1/14:0),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,17.003878,1.312670205
Ganglioside GM2 (d18:1/12:0),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,17.007225,1.197677571
Coenzyme B,CC(OP(O)(O)=O)C(N=C(O)CCCCCCS)C(O)=O,17.00788,0.7108605
Ganglioside GM2 (d18:1/18:1(11Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,17.009459,1.334953308
Glycitein,COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1,17.010164,13.87156248
MG(18:0e/0:0/0:0),[H][C@](O)(CO)COCCCCCCCCCCCCCCCCCC,17.010187,9.561250359
Dihydronaringenin-O-sulphate,OC1=CC(O)=C(C(=O)CCC2=CC=C(OS(O)(=O)=O)C=C2)C(O)=C1,17.011707,2.386257239
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,17.015106,3.023326397
TG(15:0/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,17.02705,7.53634572
"PS(MonoMe(13,5)/DiMe(11,3))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)O1,17.031116,2.321132272
Tryptophyl-Isoleucine,CCC(C)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,17.039236,6.069275737
A-Ketoglutaric acid oxime,O\N=C(/CCC(O)=O)C(O)=O,17.053411,2.65432056
DG(14:0/0:0/18:1n7),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,17.061474,7.96405822
4a-Hydroxytetrahydrobiopterin,CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2(O)N1,17.071445,0.780958403
"PS(MonoMe(11,5)/MonoMe(11,3))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)O1,17.073032,2.760572918
TG(14:0/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,17.073275,7.414897531
2-Aminoacrylic acid,NC(=C)C(O)=O,17.08123,4.18154709
"PS(MonoMe(9,5)/MonoMe(11,3))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)O1,17.093536,2.560402453
"TG(15:0/20:4(8Z,11Z,14Z,17Z)/22:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,17.093792,8.660506457
Carnosic acid,CC(C)C1=CC2=C(C(O)=C1O)[C@]1(CCCC(C)(C)C1CC2)C(O)=O,17.096876,11.17613316
L-Acetylcarnitine,CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,17.09887,22.18172848
"TG(15:0/20:4(8Z,11Z,14Z,17Z)/24:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,17.09918,8.290223032
Neopterin,NC1=NC2=C(N=C(C=N2)C(O)C(O)CO)C(=O)N1,17.101,0.695679802
D-Xylulose 1-phosphate,OC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O,17.103416,1.280501951
"3,5-Diiodothyronine",NC(CC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)C(O)=O,17.106157,6.299716234
Dihydroandrosterone,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,17.108152,15.68697095
11-Hydroxyandrosterone,[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,17.108732,14.05950785
"PS(DiMe(9,3)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,17.110298,2.07159631
Etiocholanediol,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,17.114876,15.68697095
"TG(15:0/22:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,17.118864,8.660506457
"2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin",NC1=NC2=C(N(O)C(O)(C(O)C(O)CO)C(O)N2O)C(=O)N1,17.119968,0.907205045
"5a-Androstane-3b,17b-diol",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,17.122772,15.68697095
"TG(15:0/24:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,17.128069,8.290223032
Melanostatin,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O,17.135572,1.560519077
"2-Amino-4-oxo-6-(1',2',3'-trihydroxypropyl)-diquinoid-7,8-dihydroxypterin",NC1=NC2=C(NC(C(O)C(O)CO)C(O)N2O)C(=O)N1,17.139305,0.89677833
TG(20:0/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,17.142628,7.313644141
"7,8-Dihydroneopterin",NC1=NC(=O)C2=C(NCC(=N2)C(O)C(O)CO)N1,17.145468,0.748079736
"PS(DiMe(9,3)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,17.174326,2.352157049
DG(14:0/0:0/22:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,17.179293,7.84521997
TG(14:0/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,17.200092,7.414897531
Phenylalanyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CC1=CC=CC=C1)C(O)=O,17.208773,0.482536852
Primapterin,CC(O)C(O)C1=CN=C2C(=O)N=C(N)NC2=N1,17.211824,1.343095675
Tryptophyl-Valine,CC(C)C(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,17.218548,5.341051519
N-Acetyl-L-glutamyl 5-phosphate,CC(=O)N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O,17.21931,1.624244265
Tetrahydroneopterin,NC1=NC(=O)C2=C(NCC(N2)C(O)C(O)CO)N1,17.222893,0.854238123
Tylosin,CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)\C=C\C(\C)=C\C1COC1OC(C)C(O)C(OC)C1OC,17.222908,1.573426835
"N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine",[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](OS(O)(=O)=O)[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O,17.226963,1.317863818
CE(10:0),CCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C,17.226969,1.492292807
DG(14:0/18:1(9Z)/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,17.227474,7.96405822
DG(14:0/0:0/20:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,17.23431,7.84521997
homo-cis-Aconitate,[H]\C(C(O)=O)=C(/CCC(O)=O)C(O)=O,17.239004,2.340195701
"N,N-Dimethylformamide",CN(C)C=O,17.250177,63.41555715
"PS(DiMe(11,3)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,17.270103,2.321132272
Epietiocholanolone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C,17.271887,23.67449701
Neuromedin B (1-3),CC(C)C[C@@H](NC(=O)[C@H](CC(O)=N)NC(=O)CN)C(O)=O,17.272606,0.254886993
Androsterone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,17.274382,23.67449701
"PS(DiMe(11,3)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,17.277506,2.352157049
"1,2-diacylglycerol",[H][C@](CO)(COC=O)OC(C)=O,17.295216,10.85008979
DG(14:0/0:0/24:1n9),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,17.296436,7.84521997
DG(18:0e/2:0/0:0),[H][C@](CO)(COCCCCCCCCCCCCCCCCCC)OC(C)=O,17.306835,8.709934354
Androstanediol,[H][C@@]12CCC(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,17.309048,15.68697095
3-Dehydroxycarnitine,C[N+](C)(C)CCCC([O-])=O,17.312334,28.76909077
"PS(MonoMe(9,5)/DiMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.315742,2.352157049
Trimethylselenonium,C[Se+](C)C,17.319588,49.94467497
1-hydroxy-2-Oxopropyl tetrahydropterin,CC(=O)C(O)C1CNC2=C(N1)C(=O)NC(N)=N2,17.322275,1.91495344
Glycyl-Phenylalanine,NCC(O)=NC(CC1=CC=CC=C1)C(O)=O,17.333223,4.213537648
5a-Androstan-3b-ol,[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,17.338974,18.15492213
DG(14:0/20:1(11Z)/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,17.33955,7.84521997
N-Succinyl-2-amino-6-ketopimelate,OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O,17.340004,2.037049271
TG(14:0/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,17.342815,7.414897531
DG(12:0/20:1(11Z)/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,17.343021,7.96405822
"TG(24:0/15:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,17.343555,8.290223032
6-Lactoyltetrahydropterin,CC(O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2,17.343615,1.91495344
TG(14:0/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,17.35748,7.802833617
4-Trimethylammoniobutanal,C[N+](C)(C)CCCC=O,17.36272,37.54844666
3-Hydroxyhexadecanoylcarnitine,CCCCCCCCCCCCCC(O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,17.368507,7.057299465
Betaine,C[N+](C)(C)CC([O-])=O,17.37199,29.51309383
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,17.372137,1.382681634
Cortolone,[H][C@@]12CC[C@](O)([C@@H](O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,17.376278,7.801664621
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,17.376732,1.406153198
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,17.377176,1.406153198
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,17.377728,1.214204356
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,17.377853,2.040474676
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,17.37875,2.040474676
Trimethyl sulfonium,C[S+](C)C,17.379246,33.02007914
Threonyllysine,C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O,17.380625,0.294108223
1-Phenylethylamine,CC(N)C1=CC=CC=C1,17.381926,33.97297561
N2-Succinyl-L-glutamic acid 5-semialdehyde,OC(=O)CCC(=O)N[C@@H](CCC=O)C(O)=O,17.382002,2.986495197
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,17.38486,1.406153198
"TG(20:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",[H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,17.391703,9.425200522
"PS(MonoMe(11,5)/DiMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.392202,2.321132272
TG(14:0/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,17.392876,7.53634572
19-Norandrosterone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12[H],17.394583,23.47514331
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,17.396898,1.318736468
19-Noretiocholanolone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12[H],17.404144,23.47514331
MG(P-18:0e/0:0/0:0),[H][C@](O)(CO)CO\C=C/CCCCCCCCCCCCCCCC,17.404911,10.63549146
Niacinamide,NC(=O)C1=CC=CN=C1,17.42118,25.7337153
Choline,C[N+](C)(C)CCO,17.425905,21.64328694
Betaine aldehyde,C[N+](C)(C)CC=O,17.432657,45.69549859
Tyrosyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,17.446358,0.590132829
Nervonyl carnitine,CCC[N+](C)(C)C,17.450254,41.49810672
Tyramine glucuronide,NCCC1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1,17.450382,1.553028449
N-Acetylhistamine,CC(=O)NCCC1=CN=CN1,17.455297,6.995362043
"PS(MonoMe(9,5)/DiMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.466301,2.321132272
"PS(DiMe(9,3)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,17.466711,2.321132272
"PS(MonoMe(11,5)/DiMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.475235,2.321132272
Etiocholanolone,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C,17.478394,23.67449701
"PS(MonoMe(11,5)/DiMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.488724,2.221503109
"PS(MonoMe(9,5)/DiMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.497694,2.321132272
Tryptophyl-Proline,NC(CC1=CNC2=C1C=CC=C2)C(=O)N1CCCC1C(O)=O,17.50569,5.198515952
Aspartyl-Histidine,NC(CC(O)=O)C(=O)NC(CC1=CN=CN1)C(O)=O,17.523209,1.062466577
Gamma glutamyl ornithine,NCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,17.532522,0.359264622
4b-Hydroxystanozolol,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])[C@@H](O)C3=C(C[C@]12C)C=NN3,17.534355,6.358508766
25-Hydroxyvitamin D2,C[C@H](\C=C\[C@H](C)C(O)(C)C)C1CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,17.553911,6.362442672
8-Hydroxypurine,OC1=NC2N=CN=CC2N1,17.556395,8.076497167
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,17.563719,1.321951393
Disialyllacto-N-hexaose II,CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OCC1OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C(OC2OC(COC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C(O)C(OC3OC(CO)C(O)C(OC4(CC(O)C(NC(C)=O)C(O4)C(O)C(O)CO)C(O)=O)C3O)C2NC(C)=O)C1O,17.57713,1.81541685
"N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine",[H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OS(O)(=O)=O)[C@H](C)CCC(=O)NCC(O)=O,17.577593,1.317863818
Dihydrodigoxin,CC1OC(CC(O)C1O)OC1C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(CCC54O)C4COC(=O)C4)C3)OC2C)OC1C,17.589102,0.991178583
Glutamylthreonine,C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O,17.593084,0.385348732
5-Methylthioribulose 1-phosphate,CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O,17.614975,2.260701917
"CE(18:3(9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,17.629166,2.156673186
Quinaldic acid,OC(=O)C1=NC2=C(C=CC=C2)C=C1,17.634485,14.60848004
Tryptophyl-Glycine,NC(CC1=CNC2=C1C=CC=C2)C(=O)NCC(O)=O,17.641668,2.449695021
"PS(DiMe(11,3)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,17.641981,2.321132272
Disialyllacto-N-hexaose I,CC(=O)NC1C(O)OC(CC1C(O)C(O)CO)(OC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(O)C(COC4OC(CO)C(OC5OC(COC6(CC(O)C(NC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C2NC(C)=O)C1O)C(O)=O,17.646038,1.81541685
"PS(MonoMe(13,5)/MonoMe(11,3))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)O1,17.657824,2.526630834
Ile-Ile-Ile-Pro,CCC(C)C(N)C(O)=NC(C(C)CC)C(O)=NC(C(C)CC)C(=O)N1CCCC1C(O)=O,17.66012,1.372984983
Difucosyllacto-N-hexaose I,CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C5O)C(NC(C)=O)C4OC4OC(C)C(O)C(O)C4O)C3O)C(NC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,17.66618,2.17558071
MG(i-24:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,17.666681,8.170762658
MG(a-25:0/0:0/0:0)[rac],[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,17.687569,8.232198656
Neu5Aca2-3Galb1-3GlcN(Neu5Aca2-6)(Fuca1-4)Acb1-3Galb1-4Glc,CC1OC(OC(C(O)C=O)C(OC2OC(CO)C(O)C(OC3OC(COC4CC(O)C(NC(C)=O)C(O4)C(O)C(O)CO)C(O)C(OC4OC(CO)C(O)C(OC5(CC(O)C(NC(C)=O)C(O5)C(O)C(O)CO)C(O)=O)C4O)C3NC(C)=O)C2O)C(O)CO)C(O)C(O)C1O,17.689966,1.28226541
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,17.693329,1.409581304
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,17.693346,1.596933044
MG(i-19:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCC(C)C,17.693466,9.305408597
Ganglioside GD3 (d18:0/12:0),CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,17.700747,1.299895439
MG(i-15:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCC(C)C,17.702892,17.84306765
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,17.705887,1.913623698
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,17.71104,1.404490788
L-Leucine,CC(C)C[C@H](N)C(O)=O,17.711569,6.444934011
Norsalsolinol,OC1=C(O)C=C2CNCCC2=C1,17.712711,4.390733689
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,17.712767,1.318736468
Alanyl-Tyrosine,CC(N)C(O)=NC(CC1=CC=C(O)C=C1)C(O)=O,17.716475,1.620735973
Lacto-N-fucoheptaose,CC1OC(OC2(CC(NC(C)=O)C(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC2CO)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,17.724493,1.344150025
MG(i-18:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C,17.727686,9.130453318
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,17.727884,1.404490788
Sialyllacto-N-tetraose c,CC(=O)NC1C(O)C(OC2OC(COC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C1O,17.72953,0.497037405
MG(i-12:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCC(C)C,17.730076,25.47203004
MG(i-17:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCC(C)C,17.73132,11.48467287
MG(i-22:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,17.737478,9.358193725
Estradiol acetate glucuronide,CC(=O)OC1CCC2C3CCC4=C(C=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=C4)C3CCC12C,17.753017,2.835697122
MG(i-14:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCC(C)C,17.76199,18.57017279
MG(i-20:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC(C)C,17.773695,9.44231227
Myo-inositol 1-phosphate,O[C@H]1[C@H](O)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1O,17.774143,0.440196833
Tyrosyl-Valine,CC(C)C(N=C(O)C(N)CC1=CC=C(O)C=C1)C(O)=O,17.777866,2.519226633
MG(a-13:0/0:0/0:0)[rac],[H][C@@](O)(CO)COC(=O)CCCCCCCCC(C)CC,17.789125,18.57017279
Ile-Val-Val,CCC(C)C(N)C(O)=NC(C(C)C)C(O)=NC(C(C)C)C(O)=O,17.789297,1.106318086
Trifucosyllacto-N-hexaose,CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(NC(C)=O)C(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC(CO)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O,17.79337,1.751221716
Mannosyl-diinositol-phosphorylceramide,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(OP(O)(=O)OC3C(O)C(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC,17.802177,1.987608708
Quercetin-4'-glucuronide,OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O,17.836798,0.318748388
2-Indolecarboxylic acid,OC(=O)C1=CC2=C(N1)C=CC=C2,17.846334,17.22263694
MG(a-21:0/0:0/0:0)[rac],[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,17.855412,9.44231227
"PS(MonoMe(13,5)/DiMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.85954,2.321132272
MG(a-15:0/0:0/0:0)[rac],[H][C@@](O)(CO)COC(=O)CCCCCCCCCCC(C)CC,17.86587,20.79266608
Tyrosyl-Leucine,CC(C)CC(N=C(O)C(N)CC1=CC=C(O)C=C1)C(O)=O,17.869703,1.53299598
6-Hydroxymelatonin,COC1=C(O)C=C2NC=C(CCNC(C)=O)C2=C1,17.873846,9.452782571
5-Hydroxyindoleacetaldehyde,OC1=CC2=C(NC=C2CC=O)C=C1,17.88562,14.70079869
5-Methoxytryptophol,COC1=CC=C2NC=C(CCO)C2=C1,17.900486,17.21189469
N-alpha-Acetyl-L-citrulline,CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O,17.904865,1.340834051
"TG(16:0/14:0/22:4(7Z,10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,17.906763,8.405709267
Prolyl-Asparagine,OC(=N)CC(N=C(O)C1CCCN1)C(O)=O,17.908985,1.402495615
S-Phenylmercapturic acid,CC(O)=NC(CSC1=CC=CC=C1)C(O)=O,17.926079,16.3414672
O-Acetylserine,CC(=O)OC[C@H](N)C(O)=O,17.927883,2.396529354
Acetyl-N-formyl-5-methoxykynurenamine,COC1=CC(C(=O)CCNC(C)=O)=C(NC=O)C=C1,17.937576,8.015359193
Jacaric acid,[H]\C(CCCCC)=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])CCCCCCC(O)=O,17.95221,31.22401536
Leucyl-Tryptophan,CC(C)CC(N)C(O)=NC(CC1=CNC2=CC=CC=C12)C(O)=O,17.952991,4.936225712
beta-Calendic acid,[H]\C(CCCCC)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])CCCCCCC(O)=O,17.953302,31.22401536
"PS(MonoMe(13,5)/DiMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.971767,2.119451575
"PS(MonoMe(9,5)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C=C(CCCCC)O2)O1,17.986881,2.560402453
Quercetin-3'-glucuronide,OC1C(O)C(OC2=C(O)C=CC(=C2)C2OC3=CC(O)=CC(O)=C3C(=O)C2O)OC(C1O)C(O)=O,17.989252,0.229406124
PIP2(18:1(9Z)/16:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,17.990652,2.25753244
Quercetin 3-O-glucuronide,OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O,17.991674,0.318748388
Tryptophyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O,17.991798,1.536981575
PIP2(18:1(11Z)/16:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,17.992493,2.25753244
MG(i-16:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCC(C)C,17.998043,18.02508384
"PS(MonoMe(13,5)/DiMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1,17.99805,2.221503109
UDP-N-acetylmuraminate,CC(OC1C(O)C(CO)OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C1NC(C)=O)C(O)=O,17.999641,0.462767761
"11E, 13E-Octadecadienoic acid",[H]\C(CCCC)=C(\[H])/C(/[H])=C(\[H])CCCCCCCCCC(O)=O,18.008827,33.21295679
"8E,13Z-octadecadienoic acid",[H]\C(CCCC)=C(/[H])CCC\C([H])=C(/[H])CCCCCCC(O)=O,18.010607,30.98099828
"9Z,15Z-octadecadienoic acid",[H]\C(CC)=C(/[H])CCCC\C([H])=C(\[H])CCCCCCCC(O)=O,18.010653,30.35403788
"PS(MonoMe(11,5)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C=C(CCCCC)O2)O1,18.011967,2.760572918
"9E,12Z-octadecadienoic acid",[H]\C(CCCCC)=C(/[H])C\C([H])=C(/[H])CCCCCCCC(O)=O,18.01582,33.21295679
"10E,15Z-Octadecadienoic acid",[H]\C(CC)=C(/[H])CCC\C([H])=C(/[H])CCCCCCCCC(O)=O,18.017252,30.98099828
"9Z,12E-Octadecadienoic acid",[H]\C(CCCCC)=C(\[H])C\C([H])=C(\[H])CCCCCCCC(O)=O,18.020197,33.21295679
"12E, 14E-Octadecadienoic acid",[H]\C(CCC)=C(\[H])/C(/[H])=C(\[H])CCCCCCCCCCC(O)=O,18.020685,33.21295679
"7Z,14Z-eicosadienoic acid",[H]\C(CCCCC)=C(/[H])CCCCC\C([H])=C(\[H])CCCCCC(O)=O,18.021551,25.83979368
"9Z,13E-octadecadienoic acid",[H]\C(CCCC)=C(\[H])CC\C([H])=C(\[H])CCCCCCCC(O)=O,18.022064,33.21295679
"DG(14:0/20:3(8Z,11Z,14Z)/0:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCC,18.026236,7.84521997
"8E,12Z-octadecadienoic acid",[H]\C(CCCCC)=C(/[H])CC\C([H])=C(/[H])CCCCCCC(O)=O,18.027357,30.98099828
"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphate",OC1=C(O)C(OS(O)(=O)=O)=CC(CC2CCC(=O)O2)=C1,18.030148,3.448297083
"trans-11,cis-15-Octadecadienoic acid",[H]\C(CC)=C(/[H])CC\C([H])=C(/[H])CCCCCCCCCC(O)=O,18.031097,33.21295679
Hypoxanthine,OC1=NC=NC2=C1NC=N2,18.03317,2.246929891
naringenin-7-O-glucuronide,OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O,18.034039,0.278111198
MG(a-17:0/0:0/0:0)[rac],[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCC(C)CC,18.03482,9.60822776
"11Z,15E-Octadecadienoic acid",[H]\C(CC)=C(\[H])CC\C([H])=C(\[H])CCCCCCCCCC(O)=O,18.035421,33.21295679
5'-Carboxy-gamma-chromanol,C[C@@H](CCC[C@]1(C)CCC2=CC(O)=C(C)C(C)=C2O1)C(O)=O,18.03643,16.72513932
Glycyl-Histidine,NCC(=O)NC(CC1=CN=CN1)C(O)=O,18.045738,2.096450888
"PS(MonoMe(11,5)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCCCC)O2)O1,18.049175,2.526630834
Tyrosyl-Histidine,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN=CN1)C(O)=O,18.057137,1.257870067
Tryptophyl-Leucine,CC(C)CC(N=C(O)C(N)CC1=CNC2=CC=CC=C12)C(O)=O,18.059038,4.936225712
5-Acetylamino-6-amino-3-methyluracil,CN1C(=O)NC(N)=C(NC(C)=O)C1=O,18.059366,1.933001541
7'-Carboxy-gamma-chromanol,C[C@@H](CCC[C@]1(C)CCC2=CC(O)=C(C)C(C)=C2O1)CCC(O)=O,18.068304,12.85696924
"TG(16:0/16:0/22:4(7Z,10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,18.070486,8.434397727
5-Acetylamino-6-formylamino-3-methyluracil,CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O,18.074198,1.709012687
"7E, 9E-Octadecadienoic acid",[H]\C(CCCCCCCC)=C(\[H])/C(/[H])=C(\[H])CCCCCC(O)=O,18.074326,33.21295679
1-Nitrohexane,CCCCCC[N+](O)=O,18.08903,49.35768247
"cis-9,cis-12-Hexadecenoic acid",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(O)=O,18.099405,29.87973988
"7,10-Hexadecadienoic acid",[H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCC(O)=O,18.101006,27.94779241
Phe-Pro-Ile,CCC(C)C(N=C(O)C1CCCN1C(=O)C(N)CC1=CC=CC=C1)C(O)=O,18.10995,5.164701492
"5b-Cholestane-3a,7a,12a,25-tetrol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(C)O,18.111214,5.290823802
Dermatan,CCC1C(O)C(O)C(COC2C(NC(C)=O)C(OC)OC(CO)C2OS(O)(=O)=O)OC1C(O)=O,18.111845,0.426910352
Urolithin A-3-O-glucuronide,OC1C(O)C(OC2=CC=C3C(OC(=O)C4=CC(O)=CC=C34)=C2)OC(C1O)C(O)=O,18.116795,0.59820516
trans-5-Octadecenoic acid,[H]\C(CCCCCCCCCCCC)=C(\[H])CCCC(O)=O,18.134487,32.10213482
1-Nitroheptane,CCCCCCC[N+](O)=O,18.134975,50.68295002
C20:1 c5,[H]\C(CCCCCCCCCCCCCC)=C(/[H])CCCC(O)=O,18.137129,24.46686625
16b-Hydroxystanozolol,[H][C@@]12C[C@H](O)[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C=NN3,18.147821,5.272503197
Glycitin,COC1=C(OC2OC(CO)C(O)C(O)C2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1,18.14834,0.552992523
5Z-hexadecenoic acid,[H]\C(CCCCCCCCCC)=C(/[H])CCCC(O)=O,18.150448,30.9610188
(E)-4-Octene,[H]\C(CCC)=C(\[H])CCC,18.158022,64.63937163
3-Decenoic acid,[H]\C(CCCCCC)=C(/[H])CC(O)=O,18.16623,34.22114551
5-Dodecenoic acid,[H]\C(CCCCCC)=C(\[H])CCCC(O)=O,18.169416,43.02332699
Tryptophyl-Glutamine,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(N)=O)C(O)=O,18.181526,2.315783314
Trans-Hexa-dec-2-enoic acid,[H]\C(CCCCCCCCCCCCC)=C(\[H])C(O)=O,18.185047,32.95480311
Tyrosyl-Arginine,NC(CC1=CC=C(O)C=C1)C(=O)NC(CCCNC(N)=N)C(O)=O,18.188564,0.411442481
Hydroxyprolyl-Tryptophan,OC1CNC(C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,18.20119,3.616019338
Glycyl-Tryptophan,NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,18.2105,3.52576822
"3a,11b,21-Trihydroxy-20-oxo-5b-pregnan-18-al",CC12CC[C@@H](O)CC1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O,18.22142,7.284568995
trans-4-Decenoic acid,[H]\C(CCCCC)=C(\[H])CCC(O)=O,18.223536,36.40099764
3-Phenoxybenzoic acid,OC(=O)C1=CC(OC2=CC=CC=C2)=CC=C1,18.227198,23.16735238
"PS(MonoMe(11,3)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.230944,2.560402453
"11b,17a,21-Trihydroxypreg-nenolone",CC12CC(O)C3C(CC=C4CC(O)CCC34C)C1CC[C@]2(O)C(=O)CO,18.232147,7.239499688
Hydroxyprolyl-Histidine,OC1CNC(C1)C(=O)NC(CC1=CN=CN1)C(O)=O,18.235554,1.86558459
BOX B,CC1=C(C=C)C(=O)N\C1=C/C(N)=O,18.236683,5.587413162
"TG(16:0/16:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,18.247442,8.980572969
3E-tetradecenoic acid,[H]\C(CCCCCCCCCC)=C(\[H])CC(O)=O,18.249176,33.27298462
D-Leucine,CC(C)C[C@@H](N)C(O)=O,18.25905,6.444934011
5-Methoxyindoleacetate,COC1=CC2=C(NC=C2CC(O)=O)C=C1,18.265282,15.20832479
3'-Hydroxystanozolol,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=C(C[C@]12C)C(=O)NN3,18.273115,7.156326622
Stigmasterol,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](CC)C(C)C,18.278452,7.142543048
"PS(MonoMe(11,3)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.283611,2.760572918
Ubiquinone Q2,COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O,18.289362,23.19803387
Isoleucyl-Histidine,CCC(C)C(N)C(=O)NC(CC1=CN=CN1)C(O)=O,18.318556,3.788636997
trans-4-Octadecenoic acid,[H]\C(CCCCCCCCCCCCC)=C(\[H])CCC(O)=O,18.336088,32.10213482
m-Methylhippuric acid,CC1=CC(=CC=C1)C(=O)NCC(O)=O,18.337637,6.856931746
Tyrosyl-Tyrosine,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,18.343607,0.7509558
24-Methylenelophenol,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=C)C(C)C,18.344448,7.142543048
N-Acetylcystathionine,CC(=O)NC(CSCC[C@H](N)C(O)=O)C(O)=O,18.348877,1.3767533
Gamma-Tocopherol,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=CC(O)=C(C)C(C)=C2O1,18.351934,8.334222436
Melatonin,COC1=CC2=C(NC=C2CCNC(C)=O)C=C1,18.366821,12.17333674
Methionyl-Tryptophan,CSCCC(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,18.376131,4.886964336
"24R,25-Dihydroxyvitamin D3",C[C@H](CC[C@@H](O)C(O)(C)C)[C@H]1CCC2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,18.378435,4.556181282
QH2,COC1=C(O)C(C)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1OC,18.3888,14.0566811
Cysteinyl-Tryptophan,NC(CS)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O,18.393198,3.733539954
Tyrosyl-Phenylalanine,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=CC=C1)C(O)=O,18.394947,3.509120643
Tryptophyl-Glutamate,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CCC(O)=O)C(O)=O,18.418013,1.861599647
Methyl beta-D-glucopyranoside,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC)[C@]1([H])O,18.420069,3.227613121
L-Fucose,[H][C@@]1(C)OC([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O,18.421635,2.844278514
Methyl alpha-D-glucopyranoside,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OC)[C@]1([H])O,18.423971,3.227613121
Tyramine-O-sulfate,NCCC1=CC=C(OS(O)(=O)=O)C=C1,18.424526,4.370863363
Conduritol B epoxide,[H][C@]12O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O,18.433516,2.647831291
Dopamine 3-O-sulfate,NCCC1=CC(OS(O)(=O)=O)=C(O)C=C1,18.435349,2.191389538
Hyaluronan,CO[C@@H]1O[C@H]([C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@H](OC)[C@@H]2\N=C(\C)O)[C@@H](O)[C@@H]1O)C(O)=O,18.435507,0.453056209
"PS(MonoMe(13,5)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCC2=C(C)C=C(CCCCC)O2)O1,18.437012,2.526630834
Dopamine 4-sulfate,NCCC1=CC=C(OS(O)(=O)=O)C(O)=C1,18.43728,2.191389538
Glucosamine 6-phosphate,N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,18.460201,0.445850659
Tryptophyl-Asparagine,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(N)=O)C(O)=O,18.461874,1.962409541
"PS(MonoMe(13,5)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCCCC2=C(C)C=C(CCCCC)O2)O1,18.464449,2.412688173
"TG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C([H])=C(\[H])CCCC,18.464495,9.425200522
L-Erythrulose,OC[C@H](O)C(=O)CO,18.46604,7.480278611
"PS(MonoMe(11,3)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C=C(CCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.46892,2.526630834
17-alpha-estradiol-3-glucuronide,C[C@]12CCC3C(CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)C1CC[C@@H]2O,18.471283,2.018657885
Dopamine,NCCC1=CC(O)=C(O)C=C1,18.476173,5.884069949
"PS(MonoMe(13,5)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(N)C(O)=O)OC(=O)CCCCCCCCCCC2=C(C)C=C(CCCCC)O2)O1,18.481188,2.526630834
Ala-Phe-Ala,CC(N)C(O)=NC(CC1=CC=CC=C1)C(O)=NC(C)C(O)=O,18.485212,1.393732335
"DG(16:0/18:3(9Z,12Z,15Z)/0:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCCCC,18.486078,7.84521997
Docosapentaenoic acid,[H]\C(CCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(O)=O,18.49129,14.72955346
alpha-D-Allofuranose,[H][C@@](O)(CO)[C@@]1([H])O[C@]([H])(O)[C@]([H])(O)[C@]1([H])O,18.49365,1.705595851
Tyrosyl-Glycine,NC(CC1=CC=C(O)C=C1)C(O)=NCC(O)=O,18.500654,2.13744808
"DG(18:3(6Z,9Z,12Z)/18:0/0:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCCCCCCCCCC,18.511835,7.84521997
Tetracosatetraenoic acid n-6,[H]\C(CCCCCCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(O)=O,18.518566,12.56674826
Tetracosahexaenoic acid,[H]\C(CCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(O)=O,18.541517,10.97532064
"PS(DiMe(9,5)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.542013,2.352157049
"DG(18:0/18:3(9Z,12Z,15Z)/0:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCCCCCC,18.556969,7.84521997
Erythrohydrobupropion,CC(NC(C)(C)C)C(O)C1=CC(Cl)=CC=C1,18.559181,21.86178416
Ubiquinone,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,18.56126,28.62511277
"PS(DiMe(9,5)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.565535,2.321132272
N-Acetylglutamine,CC(=O)N[C@@H](CCC(N)=O)C(O)=O,18.567034,1.794542
"DG(18:3(6Z,9Z,12Z)/16:0/0:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCCCCCCCC,18.571224,7.84521997
"PS(DiMe(13,5)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.575556,2.321132272
5-Hydroxy-L-tryptophan,NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O,18.58198,2.948671393
"PS(DiMe(13,5)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.589596,2.221503109
Histidinyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O,18.592989,0.848630443
"PS(DiMe(11,5)/MonoMe(9,5))",CCCCCC1=CC(C)=C(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.596941,2.321132272
Tetrahydrofolyl-[Glu](2),NC1=NC2=C(NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1,18.604353,0.496419286
"PS(DiMe(11,5)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.61332,2.321132272
Tryptophyl-Cysteine,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CS)C(O)=O,18.619406,3.733539954
n-Acetylasparagine,CC(=O)N[C@@H](CC(N)=O)C(O)=O,18.648613,1.720874943
Decenedioic acid,[H]\C(CCCCCCC(O)=O)=C(\[H])C(O)=O,18.656765,49.33574796
5-Hydroxydopamine,NCCC1=CC(O)=C(O)C(O)=C1,18.657211,3.577110171
Hydroxyeicosatetraenoic acid,[H]\C(CCCCCCCCCCCO)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(O)=O,18.667383,14.18361366
Bupropion,CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1,18.684202,50.64387321
"PS(DiMe(9,5)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.691416,2.321132272
"PS(DiMe(13,5)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.70329,2.119451575
Acetylcysteine,CC(=O)N[C@@H](CS)C(O)=O,18.709042,9.631435573
Histidinyl-Valine,CC(C)C(N=C(O)C(N)CC1=CN=CN1)C(O)=O,18.712626,2.501392365
Tyrosinamide,NC(CC1=CC=C(O)C=C1)C(N)=O,18.720848,3.10582146
Pteroyltriglutamic acid,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)=CN=C2N1,18.721527,0.463629374
"PS(DiMe(11,5)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.727402,2.221503109
Tetrahydrofolyl-[Glu](n),NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2)N1,18.734858,0.534940185
3-Bromotyrosine,NC(CC1=CC=C(O)C(Br)=C1)C(O)=O,18.748035,6.478518248
Formyl-5-hydroxykynurenamine,NCCC(=O)C1=C(NC=O)C=CC(O)=C1,18.76165,4.785096645
"PS(MonoMe(9,5)/MonoMe(11,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.771423,2.760572918
Tryptophyl-Aspartate,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(O)=O)C(O)=O,18.772827,1.864181086
Tetrahydrocurcumin,COC1=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=CC=C1O,18.778934,9.893998504
Hydroxykynurenine,NC(CC(=O)C1=C(N)C(O)=CC=C1)C(O)=O,18.784578,1.181778684
5-Hydroxykynurenine,NC(CC(=O)C1=C(N)C=CC(O)=C1)C(O)=O,18.78814,1.236605365
N-Acetyldopamine,CC(O)=NCCC1=CC(O)=C(O)C=C1,18.80352,9.169673175
Glycyl-Tyrosine,NCC(O)=NC(CC1=CC=C(O)C=C1)C(O)=O,18.813036,1.462227013
"PS(MonoMe(9,5)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.84232,2.526630834
"8E, 10E-Octadecadienoic acid",[H]\C(CCCCCCC)=C(\[H])/C(/[H])=C(\[H])CCCCCCC(O)=O,18.846737,33.21295679
Alpha-CEHC,CC1=C(O)C(C)=C2CCC(C)(CCC(O)=O)OC2=C1C,18.849348,15.85989594
"PS(MonoMe(11,5)/MonoMe(13,5))",CCCCCC1=CC(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C=C(CCCCC)O2)COP(O)(=O)OCC(N)C(O)=O)O1,18.85694,2.526630834
"10E, 12E-Octadecadienoic acid",[H]\C(CCCCC)=C(\[H])/C(/[H])=C(\[H])CCCCCCCCC(O)=O,18.86832,33.21295679
Dihydrozeatin-9-N-glucoside-O-glucoside,[H]C(C)(CCNC1=C2N=CN(C2=NC=N1)[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)CO[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,18.89373,0.489387196
Gamma-CEHC,CC1=C(O)C=C2CCC(C)(CCC(O)=O)OC2=C1C,18.913174,15.40516764
Arg-Thr-Lys-Arg,CC(O)C(N=C(O)C(N)CCCNC(N)=N)C(O)=NC(CCCCN)C(O)=NC(CCCNC(N)=N)C(O)=O,18.938644,0.171800074
Hydroxybupropion,CC(NC(C)(C)CO)C(=O)C1=CC(Cl)=CC=C1,18.942802,15.34890234
Arg-Arg-Arg,NC(CCCNC(N)=N)C(O)=NC(CCCNC(N)=N)C(O)=NC(CCCNC(N)=N)C(O)=O,18.948385,0.154548779
Leu-Arg-Asn-Arg,CC(C)CC(N)C(O)=NC(CCCNC(N)=N)C(O)=NC(CC(O)=N)C(O)=NC(CCCNC(N)=N)C(O)=O,18.967617,0.17127716
5-(4'-Hydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide,CC1C(C)C(OC2=CC=C(CC3CCC(=O)O3)C=C2)OC(C(O)O)C1C,18.973333,9.276106954
4-Carboxyphenylglycine,NC(C(O)=O)C1=CC=C(C=C1)C(O)=O,18.974686,3.679189086
Docosatrienoic acid,[H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCCCCCC(O)=O,19.01465,14.27914053
Alpha-Linolenic acid,[H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(O)=O,19.01733,31.22401536
Hydroxyprolyl-Tyrosine,OC1CNC(C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,19.026981,1.725153625
Ureidosuccinic acid,NC(=O)N[C@@H](CC(O)=O)C(O)=O,19.057226,3.07706967
N-Acetylglutamic acid,CC(=O)N[C@@H](CCC(O)=O)C(O)=O,19.058035,2.21988894
5b-Pregnanediol,CCC1CCC2C3CCC4CCCCC4(C)C3CCC12C,19.066048,18.51920187
N-Acetyl-L-aspartic acid,CC(=O)N[C@@H](CC(O)=O)C(O)=O,19.074291,2.541767061
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate,CC1=NC=C(C=O)C(C(O)=O)=C1O,19.092,5.569066852
"5,8-Tetradecadienoic acid",[H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCC(O)=O,19.092194,39.34167624
"4-(2-Aminophenyl)-2,4-dioxobutanoic acid",NC1=C(C=CC=C1)C(=O)CC(=O)C(O)=O,19.096758,3.84394154
5-Amino-6-(5'-phosphoribitylamino)uracil,NC1=C(NCC(O)C(O)C(O)COP(O)(O)=O)NC(=O)NC1=O,19.11257,0.267615938
trans-15-Octadecenoic acid,[H]\C(CC)=C(\[H])CCCCCCCCCCCCCC(O)=O,19.118776,32.10213482
11-Oxo-androsterone glucuronide,CC12CC(=O)C3C(CCC4CC(CCC34C)OC3OC(C(O)C(O)C3O)C(O)=O)C1CCC2=O,19.135933,1.718503237
"TG(18:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,19.141676,11.6237618
"3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide",CC(O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O,19.14664,2.291185781
3-Methyluridine,CN1C(=O)C=CN(C2OC(CO)C(O)C2O)C1=O,19.166153,3.838298842
trans-13-Octadecenoic acid,[H]\C(CCCC)=C(\[H])CCCCCCCCCCCC(O)=O,19.173347,32.10213482
"TG(16:0/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]C(CC)=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,19.175097,8.980572969
1-Hydroxypyrene,OC1C=CC2=CCC3=C4C(C=CC1=C24)=CC=C3,19.182323,22.90336639
Asparaginyl-Phenylalanine,NC(CC(N)=O)C(=O)NC(CC1=CC=CC=C1)C(O)=O,19.189173,0.870204158
Naphthalene epoxide,O1C2C=CC3=CC=CC=C3C12,19.192982,21.4381516
Cys-Cys-Asp-Pro,NC(CS)C(O)=NC(CS)C(O)=NC(CC(O)=O)C(=O)N1CCCC1C(O)=O,19.193878,0.435624598
Valyl-Arginine,CC(C)C(N)C(O)=NC(CCCNC(N)=N)C(O)=O,19.204908,0.605092803
7Z-tetradecenoic acid,[H]\C(CCCCCC)=C(/[H])CCCCCC(O)=O,19.22675,35.51417887
"1,3-Dimethyluracil",CN1C=CC(=O)N(C)C1=O,19.234268,19.52283233
"TG(16:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]C(CC)=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,19.235626,8.980572969
Glucosylceramide,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC,19.275763,1.583807915
Lycopodic acid,[H]\C(CCCC)=C(\[H])CCCCCCCCCC(O)=O,19.276903,30.9610188
Isopyridoxal,CC1=NC=C(C=O)C(CO)=C1O,19.277475,7.655072957
p-Coumaric acid sulfate,OC(=O)\C=C\C1=CC=C(OS(O)(=O)=O)C=C1,19.306465,2.695734054
"Estrone-2,3-quinone",C[C@]12CCC3C(CCC4=CC(=O)C(=O)C=C34)C1CCC2=O,19.307861,26.0119468
Lactosylceramide (d18:1/26:0),[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC,19.32581,1.234751567
Lactosylceramide (d18:1/25:0),[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC,19.3277,1.234751567
Lactosylceramide (d18:1/12:0),[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCC,19.329721,1.140988152
"3-Hydroxy-2-methylpyridine-4,5-dicarboxylate",CC1=NC=C(C(O)=O)C(C(O)=O)=C1O,19.338617,2.700489759
"8,11,14,17-Eicosatetraenoic acid",[H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(O)=O,19.34599,27.70136595
trans-16-Octadecenoic acid,[H]\C(C)=C(\[H])CCCCCCCCCCCCCCC(O)=O,19.349174,32.10213482
Adenosine diphosphate ribose,NC1=C2N=CN(C3OC(COP(O)(=O)OP(O)(=O)OCC4OC(O)C(O)C4O)C(O)C3O)C2=NC=N1,19.350565,0.492345449
4-Hydroxyestrone,C[C@@]12CCC3C(CCC4=C3C=CC(O)=C4O)C1CCC2=O,19.359049,15.94222486
Cysteinyl-Phenylalanine,NC(CS)C(=O)NC(CC1=CC=CC=C1)C(O)=O,19.371325,2.832462825
L-Dihydroorotic acid,OC(=O)[C@@H]1CC(=O)NC(=O)N1,19.379492,2.918739989
N-Acetyl-6-O-L-fucosyl-D-glucosamine,[H][C@](O)(COC1([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(C=O)N=C(C)O,19.386345,0.361610739
Asparaginyl-Tyrosine,NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,19.386898,0.61530997
9E-tetradecenoic acid,[H]\C(CCCC)=C(\[H])CCCCCCCC(O)=O,19.390726,34.02625024
"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,19.391039,9.221322834
"TG(16:1(9Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,19.391804,8.827061951
Methionyl-Phenylalanine,CSCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,19.39878,2.495058626
"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:3n6)",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,19.401396,9.425200522
N-Acetylmannosamine,[H]C1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])N=C(C)O,19.40224,4.352724925
16-Oxoestrone,C[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC(=O)C2=O,19.410885,23.35453928
Pyrogallol-2-O-sulphate,OC1=CC=CC(O)=C1OS(O)(=O)=O,19.423918,2.406025678
Tsuzuic acid,[H]\C(CCCCCCCCC)=C(\[H])CCC(O)=O,19.448055,35.39243937
Adrenic acid,[H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCC(O)=O,19.455076,15.81230462
N'-Formylkynurenine,NC(CC(=O)C1=CC=CC=C1NC=O)C(O)=O,19.456617,2.477202192
D-Altrose,[H]C1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O,19.461227,1.781210862
2-Hydroxy-3-methoxyestrone,COC1=C(O)C=C2C3CC[C@]4(C)C(CCC4=O)C3CCC2=C1,19.469551,22.04286754
D-Glucose,[H]C1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,19.479723,1.781210862
Cysteinyl-Tyrosine,NC(CS)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,19.483446,4.730950296
Chondroitin 4-sulfate,CC(=O)NC1C(O)OC(CO)C(OS(O)(=O)=O)C1OC1OC(C(O)C(O)C1O)C(O)=O,19.49032,0.296783517
"TG(18:1(11Z)/22:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,19.490793,11.6237618
trans-12-Hexadecenoic acid,[H]\C(CCC)=C(\[H])CCCCCCCCCCC(O)=O,19.491768,30.9610188
beta-Lactose,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,19.49729,0.510054035
Alpha-N-Phenylacetyl-L-glutamine,NC(=O)CC[C@H](NC(=O)CC1=CC=CC=C1)C(O)=O,19.49881,2.308491245
3-O-a-L-Fucopyranosyl-D-glucose,[H][C@](O)(CO)[C@@]([H])(O)[C@@]([H])(O[C@]1([H])O[C@]([H])(C)[C@]([H])(O)[C@]([H])(O)[C@]1([H])O)C([H])(O)C=O,19.50176,0.340001192
Talose,[H]C1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@]1([H])O,19.503782,1.781210862
"TG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,19.510822,9.425200522
Glucose oxime,[H]\C(=N/O)[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO,19.512613,0.965791568
"TG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,19.51783,9.221322834
"TG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2n6)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,19.518164,8.827061951
N-Acetyl-L-glutamate 5-semialdehyde,CC(=O)N[C@@H](CCC=O)C(O)=O,19.52233,5.505328625
14Z-octadecenoic acid,[H]\C(CCC)=C(/[H])CCCCCCCCCCCCC(O)=O,19.52351,32.10213482
N-Acetylvanilalanine,COC1=CC(CC(NC(C)=O)C(O)=O)=CC=C1O,19.524393,3.016561083
Not Found,CCC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(CCSC)NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CSSCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(N)C(C)O,19.526121,0.512645021
lactobionic acid,[H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C(O)=O,19.528688,0.233936659
13(S)-HODE,[H]\C(CCCCCCCC(O)=O)=C(/[H])\C(\[H])=C(/[H])[C@]([H])(O)CCCCC,19.533733,14.54785466
Sophorose,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,19.554388,0.510054035
"6,7-Dimethyl-8-(1-D-ribityl)lumazine",CC1=C(C)N(CC(O)C(O)C(O)CO)C2=NC(=O)NC(=O)C2=N1,19.565672,1.835822314
N-Acetylserine,CC(=O)N[C@@H](CO)C(O)=O,19.567787,4.193286598
trans-14-Octadecenoic acid,[H]\C(CCC)=C(\[H])CCCCCCCCCCCCC(O)=O,19.569647,32.10213482
Methionyl-Tyrosine,CSCCC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,19.57217,2.127763815
4-Pyridoxic acid,CC1=NC=C(CO)C(C(O)=O)=C1O,19.592354,3.983961791
(R)-3-Hydroxyoctanoic acid,[H][C@@](O)(CCCCC)CC(O)=O,19.597301,29.83242273
"3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid",COC1=C(C=C2C=CC(=O)OC2=C1)C1OC1C(C)(C)OC1OC(C(O)C(O)C1O)C(O)=O,19.598824,0.960624684
(S)-Ureidoglycolic acid,NC(=O)N[C@@H](O)C(O)=O,19.600376,1.03337504
Leucyl-Histidine,CC(C)CC(N)C(=O)NC(CC1=CN=CN1)C(O)=O,19.609245,2.848829329
Aspartyl-Tyrosine,NC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,19.610655,0.764048379
N-Acetylleucine,CC(C)C[C@H](NC(C)=O)C(O)=O,19.629,13.1800279
Glycyl-L-leucine,CC(C)C[C@H](NC(=O)CN)C(O)=O,19.636948,2.257613838
cis-12-Octadecenoic acid,[H]\C(CCCCC)=C(/[H])CCCCCCCCCCC(O)=O,19.654942,32.10213482
Tyrosyl-Lysine,NCCCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,19.66337,0.494830124
(R)-3-Hydroxydecanoic acid,[H][C@@](O)(CCCCCCC)CC(O)=O,19.667809,38.84877861
Aspartyl-Arginine,NC(CC(O)=O)C(O)=NC(CCCNC(N)=N)C(O)=O,19.66845,0.406392803
PhosphoribosylformiminoAICAR-phosphate,NC(=O)C1=C(\N=C\NC2OC(COP(O)(O)=O)C(O)C2O)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O,19.672812,0.437640399
Tyrosyl-Methionine,CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,19.682564,2.127763815
Pyroglutamic acid,OC(=O)[C@@H]1CCC(=O)N1,19.682905,8.805833757
Stearidonic acid,[H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC(O)=O,19.684347,28.09040844
Alpha-linolenyl carnitine,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCOC(CC([O-])=O)C[N+](C)(C)C,19.686825,11.43119335
Chlordecone alcohol,OC1C2(Cl)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C(Cl)(Cl)C41Cl,19.691,6.586860865
Gamma-linolenyl carnitine,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCOC(CC([O-])=O)C[N+](C)(C)C,19.695948,11.43119335
Arginyl-Cysteine,NC(CCCNC(N)=N)C(O)=NC(CS)C(O)=O,19.704859,0.623481162
Pyridoxal 5'-phosphate,CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O,19.715405,2.703648061
(R)-3-Hydroxy-tetradecanoic acid,[H][C@@](O)(CCCCCCCCCCC)CC(O)=O,19.720915,26.2311399
D-Pipecolic acid,OC(=O)[C@H]1CCCCN1,19.726883,10.95927134
(R)-3-Hydroxydodecanoic acid,[H][C@@](O)(CCCCCCCCC)CC(O)=O,19.731472,30.02925813
Gadoleic acid,[H]\C(CCCCCCCCCC)=C(/[H])CCCCCCCC(O)=O,19.732552,24.46686625
D-Proline,OC(=O)[C@H]1CCCN1,19.739023,12.00482473
L-Proline,OC(=O)[C@@H]1CCCN1,19.739466,12.00482473
Lactosylceramide (d18:1/24:1(15Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,19.74198,1.307153143
endrin,ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,19.742733,11.58592999
L-Pipecolic acid,OC(=O)[C@@H]1CCCCN1,19.753017,10.95927134
Lactosylceramide (d18:1/26:1(17Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,19.75358,1.234751567
(R)-3-Hydroxy-hexadecanoic acid,[H][C@@](O)(CCCCCCCCCCCCC)CC(O)=O,19.755188,22.11420238
Tyrosyl-Alanine,CC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,19.756733,2.632636949
(R)-3-Hydroxy-Octadecanoic acid,[H][C@@](O)(CCCCCCCCCCCCCCC)CC(O)=O,19.760677,13.28374445
Threoninyl-Aspartate,CC(O)C(N)C(O)=NC(CC(O)=O)C(O)=O,19.768631,0.552885933
"2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine",NC1=NC(=O)C(N)=C(NCC(=O)C(O)C(O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1,19.778141,0.357106305
4-Pyridoxolactone,CC1=NC=C2COC(=O)C2=C1O,19.77856,8.097584546
2-Oxoarginine,NC(N)=NCCCC(=O)C(O)=O,19.789293,0.904595945
Erucic acid,[H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCC(O)=O,19.80558,16.17607921
"4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide",OC(CCC(=O)OCOC1OC(C(O)O)C(O)C(O)C1O)CC1=CC(O)=C(O)C=C1,19.808592,0.219760719
4-Hydroxyphenylacetylglutamic acid,OC(=O)CC[C@H](NC(=O)CC1=CC=C(O)C=C1)C(O)=O,19.810326,3.662437946
Civetic acid,[H]\C(CCCCCCCC)=C(/[H])CCCCCCC(O)=O,19.813513,32.10213482
"3,4,5-Trimethoxycinnamic acid",COC1=CC(\C=C\C(O)=O)=CC(OC)=C1OC,19.814438,21.73051089
Isoleucyl-Phenylalanine,CCC(C)C(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O,19.815662,3.538669273
8E-heptadecenoic acid,[H]\C(CCCCCCCC)=C(\[H])CCCCCCC(O)=O,19.824013,32.10213482
5'-phosphoribosyl-a-N-formylglycineamidine,OC=NCC(=N)NC1OC(COP(O)(O)=O)C(O)C1O,19.829273,0.543671241
cis-8-Oleic acid,[H]\C(CCCCCCCCC)=C(/[H])CCCCCCC(O)=O,19.84733,32.10213482
Gamma-Glutamyl-Se-methylselenocysteine,C[Se]CC(NC(=O)CCC(N)C(O)=O)C(O)=O,19.852737,2.233719081
"4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide",OC(CCC(=O)OCOC1OC(C(O)O)C(O)C(O)C1O)CC1=CC(O)=CC(O)=C1,19.8553,0.219760719
10E-heptadecenoic acid,[H]\C(CCCCCC)=C(\[H])CCCCCCCCC(O)=O,19.85545,32.10213482
(Z)-9-Heptadecenoic acid,[H]\C(CCCCCCC)=C(\[H])CCCCCCCC(O)=O,19.856367,32.10213482
"TG(18:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,19.871712,8.126619458
Glutaconyl-CoA,CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCC(O)=O,19.88429,0.733247818
Uridine diphosphate-N-acetylgalactosamine,CC(O)=NC1C(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=CC(O)=NC2=O)OC(CO)C(O)C1O,19.894232,0.356837711
Cysteinyl-Serine,NC(CS)C(O)=NC(CO)C(O)=O,19.897646,1.621669903
"TG(18:1(9Z)/20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H]C(CC)=C([H])C\C([H])=C(\[H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)OC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,19.905823,8.126619458
Isoleucyl-Tyrosine,CCC(C)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,19.914145,2.730332874
"TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,19.958054,9.425200522
2-Methylacetoacetyl-CoA,CC(C(C)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,19.975224,0.671196682
"TG(18:0/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,19.991304,9.221322834
Tyrosyl-Threonine,CC(O)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,19.991617,1.362489723
MG(0:0/24:1(15Z)/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,19.993319,8.319283277
Not Found,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCC,20.003529,1.394322142
Tyrosyl-Isoleucine,CCC(C)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O,20.023813,2.730332874
Not Found,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCC,20.031218,0.870894641
Not Found,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCC,20.03335,1.394322142
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.034765,1.706377417
Not Found,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,20.035425,1.394322142
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.038475,1.993004233
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.039995,1.988240331
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.040913,1.988240331
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.041208,1.988240331
(S)-3-Hydroxyisobutyryl-CoA,CC(CO)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,20.041273,0.700008078
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.042253,2.885143459
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.043556,2.008007281
Leucyl-Tyrosine,CC(C)CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O,20.050104,1.932713948
MG(0:0/22:1(13Z)/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,20.056223,9.327312559
MG(0:0/20:1(11Z)/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,20.05998,9.411153197
6-Demethylgriseofulvin,COC1=C2C(=O)C3(OC2=C(Cl)C(O)=C1)C(C)CC(=O)C=C3OC,20.069393,17.97883958
MG(0:0/18:1(11Z)/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCC\C=C/CCCCCC,20.078949,11.43408194
17beta-Estradiol 3-sulfate,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS(O)(=O)=O)C=C3CC[C@@]21[H],20.081726,12.80857027
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.085852,1.774119772
Daidzein,OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,20.088495,14.84003663
Tryptophyl-Serine,NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CO)C(O)=O,20.097795,3.583301976
Pyridoxine 5'-phosphate,CC1=NC=C(COP(O)(O)=O)C(CO)=C1O,20.118187,3.029664606
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H](O)\C=C\CCCCCCCCCCCCCCC,20.119282,1.578310877
TG(24:0/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,20.123236,5.733427405
MG(0:0/18:1(9Z)/0:0),[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCCCCCC,20.141054,11.43408194
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCC,20.14222,1.272286288
D-Pantethine,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO,20.161463,0.314749498
p-Lacto-N-hexaose,CC(=O)N[C@@H]1[C@@H](O)C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OCC1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O,20.163778,0.619959179
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCC,20.164028,1.394322142
Aflatoxin B1,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C3C=COC3OC2=C1,20.166582,28.03925872
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCC,20.172327,1.272286288
MG(0:0/16:1(9Z)/0:0),[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCCCC,20.172949,14.84490633
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,20.176554,1.258677617
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCC,20.184711,1.258677617
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCC,20.190584,1.665514521
"TG(18:2(9Z,12Z)/20:3n6/22:5(7Z,10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,20.195738,7.779162377
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC,20.201263,0.994849484
Tyrosyl-Proline,NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=O,20.202024,4.03088294
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC,20.213495,1.053183898
"TG(18:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCC,20.215681,8.126619458
DG(24:0/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,20.217918,5.418537557
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC,20.22598,1.338973269
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC,20.228601,1.154203806
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC,20.229992,1.053183898
MG(0:0/14:1(9Z)/0:0),[H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCC,20.235704,17.59675145
N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid,OC(=O)CC(NC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O,20.235872,3.459661081
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,20.253866,2.003798075
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC,20.273687,1.394322142
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,20.276497,2.136626467
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,20.282698,2.136626467
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,20.291414,1.68691501
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,20.304426,2.136626467
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,20.306273,1.670308784
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,20.30677,2.003798075
Not Found,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.314098,1.676611975
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.314133,1.676611975
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.314558,1.787751727
Prolyl-Histidine,OC(=O)C(CC1=CN=CN1)N=C(O)C1CCCN1,20.318882,3.098676912
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,20.319136,1.674311049
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.330606,1.787751727
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.331146,1.762470417
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.33162,1.676611975
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.332253,1.676611975
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.332596,1.547899097
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.333956,1.787751727
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.33405,1.676611975
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.334188,1.652902365
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.33473,1.451670378
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.335363,1.547899097
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,20.337477,1.676611975
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,20.340439,1.787751727
Lacto-N-hexaose,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)C1O,20.345142,0.619959179
TG(24:0/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,20.356886,5.925972015
3-Methoxytyrosine,COC1=C(O)C=CC(CC(N)C(O)=O)=C1,20.35795,3.152982146
Pantetheine 4'-phosphate,CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NCCS,20.393074,0.604004553
Aflatoxin B1 dialcohol,COC1=CC2=C(C(CO2)C(O)CO)C2=C1C1=C(C(=O)CC1)C(=O)C2,20.39417,2.96502132
Glycyl-Serine,NCC(O)=NC(CO)C(O)=O,20.410137,1.364956703
Formononetin,COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,20.421515,22.72377759
TG(24:0/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,20.423803,5.761946738
3-hydroxybenzoic acid-3-O-sulphate,OC(=O)C1=CC(OS(O)(=O)=O)=CC=C1,20.446484,2.768905647
TG(24:0/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,20.467354,6.019304693
5C-aglycone,CC(CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O)C(O)=O,20.467823,22.80514687
N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine,CC(=O)N[C@@H](CSCCC(=O)C(O)=O)C(O)=O,20.482351,2.16553919
TG(24:0/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,20.48721,5.937399343
Lacto-N-fucopentaose III,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,20.487535,0.56870752
TG(22:0/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,20.500252,5.925972015
Lacto-N-neohexaose,CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H]2O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)[C@H](O)C(O[C@@H]3O[C@H](CO)[C@@H](O)C(O[C@@H]4OC([C@H](O)CO)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O,20.510756,1.033668127
Genistein,OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,20.535263,9.6081011
4-phenylbutanic acid-O-sulphate,OS(=O)(=O)OC(=O)CCCC1=CC=CC=C1,20.535387,16.86009765
Lacto-N-fucopentaose-2,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,20.538958,0.56870752
"Estrone-3,4-quinone",C[C@]12CCC3C(CCC4=C3C=CC(=O)C4=O)C1CCC2=O,20.552933,26.07562542
Methionyl-Arginine,CSCCC(N)C(=O)NC(CCCNC(N)=N)C(O)=O,20.554707,0.307307532
Cysteinyl-Arginine,NC(CS)C(=O)NC(CCCNC(N)=N)C(O)=O,20.55842,0.432652514
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,20.58171,1.404108386
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,20.584646,1.404108386
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,20.58589,1.483213808
DG(17:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,20.58793,6.92435056
5-Hydroxyindoleacetylglycine,OC(=O)CNC(=O)CC1=CNC2=C1C=C(O)C=C2,20.596508,3.451480716
Prolyl-Tryptophan,OC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C1CCCN1,20.6052,4.197365418
TG(24:0/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,20.608147,5.761946738
Butyryl-CoA,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,20.608713,0.368049601
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,20.623512,1.791757904
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,20.631205,1.774119772
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,20.635838,1.774119772
3-Methoxy-4-Hydroxyphenylglycol sulfate,COC1=C(O)C=CC(=C1)C(CO)OS(O)(=O)=O,20.638432,4.375823587
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,20.638823,1.304765418
Mannosyl-inositol-phosphorylceramide,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC,20.640497,2.756402269
Octanoyl-CoA,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,20.642527,0.851907767
S-2-Octenoyl CoA,CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,20.6438,1.29883429
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,20.64672,1.304765418
Threoninyl-Gamma-glutamate,CC(O)C(N)C(=O)NC(=O)CCC(N)C(O)=O,20.654385,0.324726547
DG(19:0/19:0/0:0),[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,20.654564,6.92435056
5-Sulfosalicylic acid,OC(=O)C1=C(O)C=CC(=C1)S(O)(=O)=O,20.674551,2.737399191
Oxidized glutathione,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O,20.687496,0.113870564
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,20.689058,1.338973269
Lacto-N-difucohexaose,C[C@@H]1O[C@@H](O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O,20.689697,0.853303447
Not Found,[H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@]([H])(O[C@@H]2O[C@H](CO)[C@@H](O[C@]3([H])O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@]3([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)C=O,20.700865,0.853303447
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,20.702187,1.221781876
Ferulic acid 4-O-sulfate,COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1,20.707935,2.607990429
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)[C@@]([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,20.718023,1.394322142
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate,COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)CO,20.7232,4.480543733
trans-D-Decenoyl-CoA,CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,20.731348,1.503640134
TG(18:0/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,20.734552,5.761946738
Biochanin A,COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,20.74092,14.03850615
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,20.748795,1.053183898
DG(17:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,20.753841,6.92435056
O-Desmethylangolensin,CC(C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1,20.787617,14.24041688
3-hydroxyoctadecanoyl-CoA,CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,20.804197,2.474795654
Not Found,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,20.811636,1.385209523
Urolithin C,OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2,20.813217,5.744599923
DG(17:0/0:0/18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,20.813305,6.92435056
Pyridoxine,CC1=C(O)C(CO)=C(CO)C=N1,20.817202,7.137782127
DL-Dopa,NC(CC1=CC=C(O)C(O)=C1)C(O)=O,20.822166,1.769815572
Not Found,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](OC2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)C1O)C(O)=O)[C@H](O)[C@H](O)CO,20.823092,1.653143205
Hexacosanoyl-CoA,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,20.823563,1.10740494
TG(16:0/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,20.82824,6.019304693
3-ethylphenyl Sulfate,CCC1=CC(OS(O)(=O)=O)=CC=C1,20.835615,28.30604315
4-Oxo-4-(3-pyridyl)-butanamide,NC(=O)CCC(=O)C1=CN=CC=C1,20.836031,13.3994326
3-Oxooctadecanoyl-CoA,CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,20.847315,2.474795654
(2E)-Hexadecenoyl-CoA,CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,20.855911,2.976456843
DG(18:0/0:0/24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,20.857845,6.92435056
DG(17:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,20.860258,6.92435056
Dolichyl diphosphate,CC\C(C)=C\CCCC(C)CCOP(O)(=O)OP(O)(O)=O,20.86467,1.90262273
(S)-Hydroxyoctadecanoyl-CoA,CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1C=CN=C2N,20.870966,3.100232407
Benzoin,OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,20.87633,24.99205619
DG(18:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,20.880177,6.92435056
Porphobilinogen,NCC1=C(CC(O)=O)C(CCC(O)=O)=CN1,20.880978,1.7773645
(2E)-Dodecenoyl-CoA,CCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,20.894222,1.798993908
Urolithin A,OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2,20.898808,14.78856504
Inositol-P-ceramide,CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC,20.921003,2.046634443
DG(16:0/0:0/24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,20.921034,6.92435056
DG(22:0/0:0/24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,20.934752,5.418537557
DG(16:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,20.94004,6.92435056
Trihexosylceramide (d18:1/26:1(17Z)),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,20.942167,1.938635483
Oxoamide,CNC(=O)CCC(=O)C1=CN=CC=C1,20.94328,14.64948505
DG(17:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,20.94774,6.92435056
Trihexosylceramide (d18:1/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,20.947863,1.938635483
N-Phenylacetylphenylalanine,OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC1=CC=CC=C1,20.94824,15.98232239
Trihexosylceramide (d18:1/25:0),CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,20.948797,1.938635483
Trihexosylceramide (d18:1/20:0),CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,20.94892,1.938635483
Trihexosylceramide (d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,20.95036,1.938635483
Trihexosylceramide (d18:1/16:0),CCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,20.952549,2.057797648
Trihexosylceramide (d18:1/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC,20.960993,1.938635483
Protocatechuic acid 3-O-sulfate,OC(=O)C1=CC(OS(O)(=O)=O)=C(O)C=C1,20.961176,1.704258099
Homovanillic acid sulfate,COC1=C(OS(O)(=O)=O)C=CC(CC(O)=O)=C1,20.967346,3.141660616
5-cis-8-cis-Tetradecadienoyl-CoA,CCCCC\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,20.975906,1.495785825
Urolithin B,OC1=CC2=C(C=C1)C1=C(C=CC=C1)C(=O)O2,20.977198,23.00748825
Dihydrodaidzein,OC1=CC=C(C=C1)C1COC2=C(C=CC(O)=C2)C1=O,20.98431,15.56128263
Hydroxymethoxyphenylcarboxylic acid-O-sulphate,COC1=CC(O)=C(C=C1)C(O)OS(O)(=O)=O,21.017666,3.177697212
DG(17:0/22:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,21.05268,6.92435056
"2,6-Dimethylheptanoyl-CoA",CC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,21.062683,1.017033309
DG(16:0/0:0/17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,21.071772,6.749132276
Linoleoyl-CoA,CCCCC\C=C\C\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,21.07319,2.577709593
"(3R,3'R,6'R,9-cis)-Carotene-3,3'-diol",[H]/C(=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])[C@]1([H])C(C)=C[C@]([H])(O)CC1(C)C)/C(/[H])=C(\C)/C(/[H])=C(\[H])/C(/[H])=C(/C)C([H])=C([H])C1=C(C)C[C@@]([H])(O)CC1(C)C,21.090744,3.037679754
2-Acetamido-2-deoxy-6-O-a-L-fucopyranosyl-D-glucose,CC1OC(OCC(O)C(O)C(O)C(NC(C)=O)C=O)C(O)C(O)C1O,21.105503,0.361610739
"(3R,3'R,6'R,13-cis)-b,e-Carotene-3,3'-diol",[H]/C(=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])[C@]1([H])C(C)=C[C@]([H])(O)CC1(C)C)/C(/[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])C1=C(C)C[C@@]([H])(O)CC1(C)C,21.106245,3.037679754
N-Acetylserotonin,CC(=O)NCCC1=CNC2=C1C=C(O)C=C2,21.132702,7.380319387
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,21.144981,1.988573931
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,21.147783,1.304453705
(R)-2-Benzylsuccinate,OC(=O)C[C@H](CC1=CC=CC=C1)C(O)=O,21.148176,17.11455286
Maltopentaose,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,21.149158,0.503503578
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,21.162647,1.304453705
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,21.177061,1.304453705
DG(17:0/21:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,21.182661,6.92435056
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,21.185703,1.304453705
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,21.187109,1.988573931
2-Phenylglycine,NC(C(O)=O)C1=CC=CC=C1,21.193665,8.264908195
Trihexosylceramide (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCC\C=C\CCCCCCCC,21.219353,1.938635483
Glutaminyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CCC(N)=O)C(O)=O,21.220663,0.358464336
p-Cresol sulfate,CC1=CC=C(OS(O)(=O)=O)C=C1,21.238266,21.80726826
Trihexosylceramide (d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCC\C=C\CCCCCCCC,21.250221,1.938635483
DG(17:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,21.266758,4.503183812
DG(17:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,21.268745,5.90515621
Dihydrogenistein,OC1=CC=C(C=C1)C1COC2=CC(O)=CC(O)=C2C1=O,21.284592,12.01707721
"5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide",OC1C(O)C(O)C(C(OC2=C(O)C=CC(CC3CCC(=O)O3)=C2)C1O)C(O)=O,21.287962,0.521752378
Glutamyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CCC(O)=O)C(O)=O,21.295832,0.289151049
MG(0:0/a-17:0/0:0)[rac],[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC(C)CC,21.309616,10.79924181
DG(17:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,21.314024,5.90515621
Asparaginyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(O)=O,21.315783,0.361183099
MG(0:0/a-15:0/0:0)[rac],[H]C(CO)(CO)OC(=O)CCCCCCCCCCC(C)CC,21.335402,16.96159244
MG(0:0/a-21:0/0:0)[rac],[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,21.339336,9.44231227
4-Ethylphenylsulfate,CCC1=CC=C(OS(O)(=O)=O)C=C1,21.340305,28.30604315
MG(0:0/a-13:0/0:0)[rac],[H]C(CO)(CO)OC(=O)CCCCCCCCC(C)CC,21.341341,18.57077777
MG(0:0/a-25:0/0:0)[rac],[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,21.346613,8.232198656
Maltohexaose,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,21.347536,0.386088411
TG(22:0/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,21.348427,5.761946738
Norpropoxyphene,CCC(=O)OC(CC1=CC=CC=C1)(C(C)CNC)C1=CC=CC=C1,21.349152,19.64256316
MG(0:0/i-16:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC(C)C,21.351303,14.70393836
DG(15:0/0:0/24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,21.354752,6.92435056
DG(19:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,21.369728,6.92435056
Enterolactone,OC1=CC=CC(CC2COC(=O)C2CC2=CC(O)=CC=C2)=C1,21.375153,12.17309311
DG(17:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,21.376657,5.90515621
MG(0:0/i-24:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,21.378109,8.170762658
MG(0:0/i-14:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCC(C)C,21.380371,18.57077777
MG(0:0/i-20:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC(C)C,21.38177,9.44231227
MG(0:0/i-12:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCC(C)C,21.383368,24.04124588
DG(17:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,21.384907,5.90515621
MG(0:0/i-15:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCC(C)C,21.389116,20.79266608
"5,6-Dihydroxyindole-2-carboxylic acid",OC(=O)C1=CC2=C(N1)C=C(O)C(O)=C2,21.391188,4.197793454
MG(0:0/i-17:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCC(C)C,21.392887,9.60822776
(R)-Salsolinol,CC1NCCC2=C1C=C(O)C(O)=C2,21.395157,7.797043771
MG(0:0/i-18:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCC(C)C,21.400963,10.26224345
MG(0:0/i-19:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCC(C)C,21.401295,9.305408597
Aspartyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CC(O)=O)C(O)=O,21.4101,0.303796213
p-Methylhippuric acid,CC1=CC=C(C=C1)C(=O)NCC(O)=O,21.415709,6.856931746
MG(0:0/i-21:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,21.420372,9.44231227
MG(0:0/i-13:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCC(C)C,21.422792,22.6020813
TG(15:0/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,21.439625,5.937399343
TG(20:0/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,21.453434,5.761946738
2(N)-Methyl-norsalsolinol,CN1CCC2=CC(O)=C(O)C=C2C1,21.453524,15.85498005
Not Found,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,21.455368,1.226112153
Lactitol,OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,21.466558,0.195310579
DG(17:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,21.46693,5.663807318
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,21.471098,1.988573931
Glycyl-Asparagine,NCC(=O)NC(CC(N)=O)C(O)=O,21.473082,0.561156822
Glycyl-Glutamine,NCC(=O)NC(CCC(N)=O)C(O)=O,21.475739,0.415724842
Adrenochrome,CN1CC(O)C2=CC(=O)C(=O)C=C12,21.476559,10.76557338
Not Found,COC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7N)[C@H](O)[C@H]6N)[C@H](O)[C@H]5N)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](N)[C@H](O[C@H]2[C@H](O)[C@@H](N)[C@H](O)O[C@@H]2CO)O[C@@H]1CO,21.48672,0.671500759
DG(15:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,21.48679,6.92435056
"5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl",COS(=O)(=O)OC1=CC(O)=CC(CC2CCC(=O)O2)=C1,21.494818,7.167458534
Not Found,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,21.496225,1.988573931
TG(22:0/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,21.503475,6.019304693
DG(18:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,21.531431,6.92435056
DG(20:0/0:0/24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,21.567122,6.92435056
2-Methylhippuric acid,CC1=C(C=CC=C1)C(=O)NCC(O)=O,21.56797,6.985300779
DG(15:0/0:0/17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,21.59449,7.029240578
Glycyl-Gamma-glutamate,NCC(=O)NC(=O)CCC(N)C(O)=O,21.607002,0.263022422
Cysteic acid,NC(CS(O)(=O)=O)C(O)=O,21.60758,1.315773837
DG(17:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,21.609716,5.90515621
Canavaninosuccinate,NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O,21.609716,0.312146335
Xanthurenic acid,OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1,21.617508,5.510282144
DG(19:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,21.64834,6.92435056
Not Found,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3[C@@H](O)C(CO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,21.67668,2.17558071
5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate,OS(=O)(=O)OC1=CC=CC(CC2CCC(=O)O2)=C1,21.692545,14.43119496
TG(18:0/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,21.704529,6.019304693
Ceramide (d18:1/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,21.708435,5.965895951
Methionyl-Lysine,CSCCC(N)C(=O)NC(CCCCN)C(O)=O,21.715101,0.263295393
DG(19:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,21.716171,5.663807318
Ceramide (d18:1/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,21.722658,5.965895951
Ceramide (d18:1/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,21.723167,6.751224399
Homocysteinesulfinic acid,NC(CCS(O)=O)C(O)=O,21.724575,2.290301025
Ceramide (d18:1/25:0),CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,21.728428,5.965895951
Ceramide (d18:1/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,21.728926,6.751224399
Homolanthionine,NC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=O,21.731512,0.37361579
Thymol Sulfate,CC(C)C1=C(OS(O)(=O)=O)C=C(C)C=C1,21.740992,19.22587007
S-(3-oxo-3-carboxy-n-propyl)cysteine,NC(CSCCC(=O)C(O)=O)C(O)=O,21.741547,2.015346475
Not Found,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](C[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OO[C@H]2O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,21.750889,1.452542655
DL-O-Phosphoserine,NC(COP(O)(O)=O)C(O)=O,21.754053,0.817175675
Ceramide (d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,21.765512,6.427527964
Ceramide (d18:1/16:0),CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC,21.768425,7.605812699
Not Found,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)C5O)[C@H](NC(C)=O)C4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)C4O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,21.77546,2.17558071
Glycyl-Glutamate,NCC(=O)NC(CCC(O)=O)C(O)=O,21.778238,2.06046477
Cysteinyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CS)C(O)=O,21.78374,0.291539868
MG(0:0/14:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCC,21.795654,16.6455552
DG(13:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,21.79883,7.029240578
MG(0:0/12:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCC,21.82023,22.78030068
Allantoin,NC(=O)NC1NC(=O)NC1=O,21.827679,0.794799719
DG(17:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,21.83482,5.90515621
DG(19:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,21.835142,5.90515621
TG(22:0/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,21.83856,5.937399343
Glycylproline,NCC(=O)N1CCC[C@H]1C(O)=O,21.84736,6.494479626
TG(18:0/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,21.861616,6.147347391
Glycyl-Aspartate,NCC(=O)NC(CC(O)=O)C(O)=O,21.865637,1.914012618
DG(16:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,21.874191,6.92435056
2-Phosphoglyceric acid,OCC(OP(O)(O)=O)C(O)=O,21.884699,2.39902623
DG(19:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,21.892523,6.92435056
Not Found,[H]C(CCCCCCCCCCCCC)=C([H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCC,21.896574,1.285049785
Phenyl-Leucine,[H][C@@](CC(C)C)(NC1=CC=CC=C1)C(O)=O,21.901142,20.11199743
DG(16:0/0:0/18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,21.906126,6.92435056
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,21.909657,1.252895128
Isopentenyl pyrophosphate,CC(=C)CCOP(O)(=O)OP(O)(O)=O,21.914272,2.373485081
"Ne,Ne dimethyllysine",CN(C)CCCCC(N)C(O)=O,21.917683,7.62982145
DG(21:0/21:0/0:0),[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,21.920229,6.92435056
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,21.920702,1.676611975
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,21.922022,1.451670378
Hydroxyurea,NC(=O)NO,21.92621,2.63896659
TG(24:0/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,21.930498,5.937399343
Not Found,C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](C)[C@H](OC([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O,21.936579,2.17558071
DG(21:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,21.94252,6.92435056
Not Found,CCCCCCCCCCCCC\C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@H](O3)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,21.943214,1.391006354
"DG(14:0/18:2(9Z,12Z)/0:0)",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCC,21.944769,7.96405822
"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-O-methyl-O-sulphate",OC1=CC(CC2CCC(=O)O2)=CC(OCOS(O)(=O)=O)=C1O,21.945236,3.578697145
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,21.94952,1.676611975
DG(22:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,21.949804,5.90515621
MG(0:0/10:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCC,21.9503,26.37532055
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,21.951273,1.676611975
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,21.951649,1.676611975
DG(21:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,21.952938,5.579292774
DG(18:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,21.953,6.92435056
MG(0:0/20:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCC,21.960117,9.411153197
MG(0:0/15:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCC,21.965296,19.70210522
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,21.965448,1.618248411
Not Found,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,21.969208,2.17558071
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCC,21.975616,1.988573931
Benzeneacetamide-4-O-sulphate,NC(=O)CC1=CC=C(OS(O)(=O)=O)C=C1,21.979277,2.879237011
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,21.980963,1.323481277
TG(22:0/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,21.981958,5.761946738
Leucyl-Aspartate,CC(C)CC(N)C(O)=NC(CC(O)=O)C(O)=O,21.983591,1.624696516
DG(19:0/20:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,21.99344,6.92435056
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@]([H])(O)[C@@]([H])(CO[C@]1([H])O[C@@]([H])(CO)[C@]([H])(O[C@@]2([H])O[C@@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@]3([H])N=C(C)O)[C@@]([H])(OC[C@]3(C[C@@]([H])(O)[C@]([H])(N=C(C)O)[C@]([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,21.997637,2.188429423
N-a-Acetylcitrulline,CC(=O)NC(CCCNC(N)=O)C(O)=O,22.000566,1.340834051
MG(0:0/13:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCC,22.001043,21.41661793
MG(0:0/16:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCC,22.008818,14.53070045
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,22.009958,1.679242402
TG(22:0/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,22.010502,6.147347391
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCC,22.011229,1.988573931
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCC,22.012724,1.679242402
MG(0:0/22:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC,22.02273,9.327312559
DG(14:1(9Z)/18:0/0:0),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCCCCCCCCCC,22.028551,7.96405822
DG(18:0/21:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,22.029331,6.92435056
DG(13:0/0:0/17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,22.029446,5.588813126
LysoPC(P-16:0),CCCCCCCCCCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,22.036203,3.874970973
DG(22:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,22.037525,5.90515621
MG(0:0/18:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCC,22.037785,10.1422891
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC,22.03906,1.988573931
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC,22.046469,1.988573931
DG(14:1(9Z)/20:0/0:0),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCCCCCCCCCCCC,22.050577,7.84521997
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC,22.052576,1.988573931
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,22.054995,1.787751727
4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate,OC(CCC(O)=O)CC1=CC(OS(O)(=O)=O)=CC=C1,22.055153,2.310430259
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,22.060196,1.787751727
MG(0:0/17:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCC,22.063202,10.4070738
Cer(d18:0/16:0),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC,22.063526,8.67870748
DG(18:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,22.06554,5.90515621
MG(0:0/19:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCC,22.073477,9.274701029
MG(0:0/21:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCC,22.078684,9.411153197
DG(19:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,22.084757,5.90515621
O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose,[H][C@@](O)(CO[C@]1([H])O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])N=C(C)O)[C@]([H])(O)[C@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@@]([H])(C=O)N=C(C)O,22.085976,0.566029549
Kynurenic acid,OC(=O)C1=CC(=O)C2=CC=CC=C2N1,22.089254,18.1586355
Cer(d18:0/12:0),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCCCC,22.092278,6.67847842
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,22.093004,1.787751727
Not Found,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(OC[C@H]3O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,22.099558,1.653729379
Cer(d18:0/14:0),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCCCCCC,22.100359,8.67870748
DG(14:1(9Z)/18:1(9Z)/0:0),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,22.122517,7.96405822
Cer(d18:0/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC,22.13294,6.807459146
Cer(d18:0/23:0),CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC,22.135363,7.703567296
Cer(d18:0/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC,22.136877,7.703567296
Cer(d18:0/25:0),CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC,22.137913,6.807459146
Cer(d18:0/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC,22.138151,7.703567296
Cer(d18:0/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC,22.13821,7.334209979
Cer(d18:0/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)CCCCCCCCCCCCCCC,22.139761,6.807459146
TG(16:0/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,22.14276,5.937399343
Serylmethionine,CSCCC(N=C(O)C(N)CO)C(O)=O,22.159874,1.704869792
"5'-(3',4'-Dihydroxyphenyl)-gamma-valerolactone sulfate",OC1=CC=C(CC2CCC(=O)O2)C=C1OS(O)(=O)=O,22.162403,5.49983643
Alpha-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp,[H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)[C@]1([H])O)[C@]([H])(O)[C@]([H])(C=O)N=C(C)O,22.164486,0.354695297
Cuminaldehyde,[H]C(=O)C1=CC=C(C=C1)C(C)C,22.17654,63.02141547
DG(18:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,22.182924,6.92435056
N-Carbamoylsarcosine,CN(CC(O)=O)C(O)=N,22.183441,2.985205129
L-4-Hydroxyglutamine,NC(CC(O)C(O)=N)C(O)=O,22.183887,0.473859301
DG(18:0/20:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,22.189987,6.92435056
Leucyl-Alanine,CC(C)CC(N)C(O)=NC(C)C(O)=O,22.19543,2.758788876
4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate,OC(CCC(O)=O)CC1=CC=C(OS(O)(=O)=O)C=C1,22.197033,2.310430259
Not Found,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO,22.204746,1.38352979
DG(16:0/22:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,22.215935,6.92435056
DG(21:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,22.222734,5.90515621
Methionyl-Glycine,CSCCC(N)C(=O)NCC(O)=O,22.226088,2.30343435
Aspartyl-Valine,CC(C)C(N=C(O)C(N)CC(O)=O)C(O)=O,22.246857,4.103241116
"5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate",OC1=CC(CC2CCC(=O)O2)=CC(O)=C1OS(O)(=O)=O,22.25149,3.448297083
Acetyl-D-carnitine,[H][C@](CC([O-])=O)(C[N+](C)(C)C)OC(C)=O,22.26614,22.18172848
MG(0:0/24:0/0:0),[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,22.268576,8.319283277
TG(18:0/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,22.269764,5.841717869
(+)-(S)-Carvone,CC(=C)[C@H]1CC=C(C)C(=O)C1,22.278652,61.32598519
Indoleacetic acid,OC(=O)CC1=CC2=CC=CC=C2N1,22.280018,15.31806439
DG(22:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,22.282917,5.90515621
Valyl-Gamma-glutamate,CC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O,22.286356,0.260104751
TG(16:0/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,22.290916,5.841717869
Not Found,[H]C1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])C[C@@]([H])(O)[C@]12C)O[C@@]1([H])C[C@]([H])(O)[C@]([H])(O[C@@]2([H])C[C@]([H])(O)[C@]([H])(O[C@@]3([H])C[C@]([H])(O)[C@]([H])(O)[C@@]([H])(C)O3)[C@@]([H])(C)O2)[C@@]([H])(C)O1)C1=CC(=O)OC1,22.291197,1.01387687
DG(15:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,22.299324,6.92435056
DG(16:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,22.29944,6.92435056
DG(19:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,22.3251,5.90515621
O-Propanoyl-D-carnitine,[H][C@](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CC,22.332697,25.39534867
PC(O-14:0/2:0),[H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O,22.338446,5.150292441
Alanylglycine,CC(N)C(=O)NCC(O)=O,22.351967,1.582471468
DG(16:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,22.356407,6.92435056
5-Hydroxymethyl-4-methyluracil,CC1=C(CO)C(=O)NC(=O)N1,22.35761,4.131237045
4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate,OC(CCC(=O)OS(O)(=O)=O)CC1=CC=CC=C1,22.369074,5.966618657
DG(18:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,22.370361,5.90515621
DG(20:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,22.371737,6.92435056
Threoninyl-Valine,CC(C)C(N=C(O)C(N)C(C)O)C(O)=O,22.372044,1.938260533
Leucyl-Serine,CC(C)CC(N)C(O)=NC(CO)C(O)=O,22.381409,1.505268924
Isoleucyl-Gamma-glutamate,CCC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O,22.389948,0.40888642
Pimelylcarnitine,C[N+](C)(C)[C@H](CCC([O-])=O)OC(=O)CCCCCC(O)=O,22.392052,11.70218214
"5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate",OC(=O)CCC1C(O)=CC(=NC1=O)C(O)=O,22.393055,2.034917101
Ureidoisobutyric acid,CC(CNC(N)=O)C(O)=O,22.398779,2.079094201
L-isoleucyl-L-proline,CCC(C)C(N)C(=O)N1CCCC1C(O)=O,22.401415,7.64677301
4-Vinylphenol sulfate,OS(=O)(=O)OC1=CC=C(C=C)C=C1,22.411076,27.57663727
DG(18:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,22.4229,4.503183812
3-Indolebutyric acid,OC(=O)CCCC1=CNC2=C1C=CC=C2,22.42596,18.28863919
Isoleucyl-Arginine,CCC(C)C(N)C(=O)NC(CCCNC(N)=N)C(O)=O,22.427639,0.305046863
DG(20:0/22:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,22.453503,6.92435056
TG(20:0/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,22.46041,5.761946738
Methylgallic acid-O-sulphate,CC1=C(C=C(O)C(O)=C1O)C(=O)OS(O)(=O)=O,22.467947,2.047561668
5-Hydroxyindoleacetic acid,OC(=O)CC1=CNC2=C1C=C(O)C=C2,22.470873,9.620422125
DG(15:0/0:0/16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,22.471134,5.588813126
TG(20:1(11Z)/15:0/20:2n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,22.474796,7.528623194
Phenol sulphate,OS(=O)(=O)OC1=CC=CC=C1,22.483957,19.78163272
"TG(20:1(11Z)/15:0/22:2(13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,22.48624,7.730449736
DG(19:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,22.49071,5.90515621
TG(18:0/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,22.508327,5.937399343
Menadione,CC1=CC(=O)C2=CC=CC=C2C1=O,22.51824,23.45285267
3-Indolepropionic acid,OC(=O)CCC1=CNC2=C1C=CC=C2,22.524277,17.38268435
DG(19:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,22.528763,5.90515621
Mevalonolactone,C[C@]1(O)CCOC(=O)C1,22.528934,18.57298464
Asparaginyl-Threonine,CC(O)C(NC(=O)C(N)CC(N)=O)C(O)=O,22.529589,0.592360832
"TG(18:1(9Z)/15:0/22:2(13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,22.555134,7.528623194
DG(22:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,22.560852,5.90515621
DG(18:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,22.570335,5.90515621
DG(22:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,22.571535,5.90515621
Leucyl-Leucine,CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=O,22.572653,1.951263286
DG(15:0/0:0/18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,22.58021,6.749132276
DG(22:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,22.617434,4.620983452
"TG(22:1(13Z)/15:0/22:2(13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,22.622246,7.399930805
DG(8:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,22.625437,5.4581929
Mesna,OS(=O)(=O)CCS,22.628868,14.52074945
TG(22:1(13Z)/15:0/20:2n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,22.637465,7.730449736
Leucyl-Gamma-glutamate,CC(C)CC(N)C(=O)NC(=O)CCC(N)C(O)=O,22.639385,0.306677376
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate,OC(CC(=O)OS(O)(=O)=O)C1=CC(O)=CC=C1,22.647873,2.490378171
2-Isopropyl-3-oxosuccinate,CC(C)[C@H](C(O)=O)C(=O)C(O)=O,22.652355,3.433552757
(S)-Succinyldihydrolipoamide,NC(=O)CCCC[C@H](CCS)SC(=O)CCC(O)=O,22.657715,2.634234354
"TG(24:1(15Z)/15:0/22:2(13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,22.659101,7.399930805
DG(18:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,22.661886,5.90515621
Cysteinyl-Threonine,CC(O)C(NC(=O)C(N)CS)C(O)=O,22.672617,2.237098664
TG(15:0/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,22.678648,6.147347391
Leucyl-Arginine,CC(C)CC(N)C(=O)NC(CCCNC(N)=N)C(O)=O,22.682777,0.305046863
Valyl-Leucine,CC(C)CC(N=C(O)C(N)C(C)C)C(O)=O,22.7034,1.534909569
Isoleucyl-Lysine,CCC(C)C(N)C(=O)NC(CCCCN)C(O)=O,22.705263,0.314791361
TG(18:0/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,22.717466,5.841717869
Glycyl-Threonine,CC(O)C(NC(=O)CN)C(O)=O,22.720459,2.080005966
Dodecanedioylcarnitine,C[N+](C)(C)[C@H](CCC([O-])=O)OC(=O)CCCCCCCCCCC(O)=O,22.723759,14.21270519
DG(15:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,22.726091,6.92435056
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,22.727255,1.734911278
Isoleucyl-Glycine,CCC(C)C(N)C(=O)NCC(O)=O,22.72945,2.640762366
Aspartyl-Threonine,CC(O)C(NC(=O)C(N)CC(O)=O)C(O)=O,22.734241,0.457043899
TG(16:0/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,22.738464,5.841717869
TG(20:0/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,22.74179,5.937399343
DG(18:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,22.746572,5.90515621
2-Isopropylmalic acid,CC(C)[C@@](O)(CC(O)=O)C(O)=O,22.751078,2.531004883
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,22.755018,1.734911278
3-Aminoisobutanoic acid,CC(CN)C(O)=O,22.755701,8.909198642
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,22.77737,1.849915646
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,22.778816,1.734911278
"TG(15:0/22:2(13Z,16Z)/20:1(11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.783503,7.730449736
DG(16:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,22.7849,5.90515621
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,22.795343,1.734911278
3-Methoxytyramine,COC1=C(O)C=CC(CCN)=C1,22.799261,6.661831588
TG(16:0/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,22.801638,6.147347391
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,22.801855,1.734911278
TG(15:0/20:2n6/20:1(11Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.803171,7.528623194
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCC,22.80633,1.272286288
"TG(15:0/20:1(11Z)/22:2(13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.807457,7.730449736
"TG(15:0/22:2(13Z,16Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.83328,7.528623194
Methionyl-Methionine,CSCCC(N)C(=O)NC(CCSC)C(O)=O,22.835234,2.032723464
TG(15:0/20:1(11Z)/20:2n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.838425,7.528623194
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCC,22.842375,1.272286288
DG(20:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,22.843449,6.92435056
DG(16:0/16:1(9Z)/0:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCCCC,22.847641,7.96405822
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,22.849638,1.272286288
"TG(15:0/22:2(13Z,16Z)/22:1(13Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.850536,7.399930805
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,22.853106,1.849915646
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCC,22.85413,0.912291929
"TG(15:0/22:1(13Z)/22:2(13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.862782,7.399930805
DG(13:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,22.868896,6.92435056
L-beta-aspartyl-L-threonine,CC(O)C(NC(=O)CC(N)C(O)=O)C(O)=O,22.871078,0.457043899
"TG(15:0/18:1(9Z)/22:2(13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.8717,7.528623194
"TG(15:0/22:2(13Z,16Z)/24:1(15Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.873611,7.399930805
DG(8:0/0:0/17:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,22.873634,6.529863924
DG(16:1(9Z)/18:0/0:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCCCCCCCCCC,22.874697,7.84521997
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCC,22.875025,0.8952084
"TG(15:0/24:1(15Z)/22:2(13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.876394,7.399930805
TG(15:0/20:2n6/22:1(13Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.877687,7.730449736
DG(15:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,22.880384,6.92435056
3-Oxoalanine,NC(C=O)C(O)=O,22.881409,4.949403182
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,22.886625,1.849915646
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC,22.889303,1.304453705
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC,22.892014,1.304453705
TG(15:0/22:1(13Z)/20:2n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.89801,7.730449736
TG(15:0/20:2n6/24:1(15Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.902878,7.399930805
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC,22.918938,1.304453705
TG(15:0/24:1(15Z)/20:2n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,22.92395,7.399930805
TG(14:0/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,22.928188,5.937399343
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCC,22.93576,1.272286288
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCC,22.938131,1.272286288
2-Aminoisobutyric acid,CC(C)(N)C(O)=O,22.943647,5.90913929
DG(i-21:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,22.944101,5.579292774
S-aminomethyldihydrolipoamide,NCSCCC(S)CCCCC(N)=O,22.947132,8.038847148
TG(20:0/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,22.950542,6.147347391
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,22.959637,1.272286288
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC,22.965565,1.304453705
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCC,22.966896,0.912291929
TG(16:0/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,22.96893,5.841717869
Methionyl-Isoleucine,CCC(C)C(NC(=O)C(N)CCSC)C(O)=O,22.97695,1.092278864
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCC,22.978931,0.8952084
4-Oxoproline,[O-]C(=O)C1CC(=O)CN1,22.979782,10.60849726
3 Hydroxycoumarin,OC1=CC2=CC=CC=C2OC1=O,22.980211,27.05492675
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC,22.9821,1.304453705
TG(15:0/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,22.98518,5.841717869
Glycyl-Isoleucine,CCC(C)C(N=C(O)CN)C(O)=O,22.989893,3.219532967
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC,23.00481,1.304453705
"3,4-Dimethoxyphenylethylamine",COC1=C(OC)C=C(CCN)C=C1,23.0059,15.71367234
DG(19:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,23.0127,5.579292774
Not Found,[H][C@@](O)(CO)[C@@]([H])(O)C1([H])O[C@@](C[C@]([H])(O)[C@@]1([H])N=C(C)O)(O[C@@]1([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]2([H])[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]3([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]([H])(O)C=O)[C@]3([H])O)[C@]2([H])N=C(C)O)[C@]1([H])O)C(O)=O,23.024841,0.497037405
DG(16:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,23.037165,4.176246747
(S)-2-Acetolactate,CC(=O)[C@](C)(O)C(O)=O,23.03808,13.82187307
Not Found,[H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)[C@]([H])(O3)C([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@@]1([H])N=C(C)O)[C@@]([H])(O)C=O,23.043697,0.497037405
Cyclamic acid,OS(=O)(=O)NC1CCCCC1,23.04581,14.62101787
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])C([H])(O)C([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)[C@]([H])(O3)C([H])(O)C([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,23.046625,1.421384886
DG(i-24:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,23.072088,5.90515621
DG(17:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,23.072939,4.176246747
DG(22:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,23.091583,5.90515621
Not Found,[H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)C([H])(N=C(C)O)[C@@]([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O[C@]2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@@]1([H])N=C(C)O)[C@@]([H])(O)C=O,23.116592,0.497037405
Isoleucyl-Methionine,CCC(C)C(N)C(=O)NC(CCSC)C(O)=O,23.119083,1.092278864
Not Found,[H][C@@](O)(CO)[C@@]([H])(O)[C@]1([H])O[C@@](C[C@]([H])(O)[C@@]1([H])N=C(C)O)(OC[C@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O[C@@]3([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]([H])(O)C=O)[C@]3([H])O)[C@]([H])(N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O)C(O)=O,23.126284,0.497037405
TG(20:0/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,23.128263,6.019304693
D-4'-Phosphopantothenate,CC(C)(COP(O)(O)=O)C(O)C(O)=NCCC(O)=O,23.131056,0.503937248
Not Found,[H][C@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@@]([H])(O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@]([H])(O)[C@]1([H])O)[C@@]([H])(O)C=O,23.137949,0.62536262
DG(i-24:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,23.145184,4.955971614
DG(16:1(9Z)/20:1(11Z)/0:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC,23.153248,7.84521997
Prolyl-Arginine,NC(=N)NCCCC(NC(=O)C1CCCN1)C(O)=O,23.160736,0.714051025
Isoleucyl-Glutamate,CCC(C)C(N)C(=O)NC(CCC(O)=O)C(O)=O,23.16282,0.960002281
Not Found,[H][C@@](O)(CO)[C@@]([H])(O)[C@]1([H])O[C@@](C[C@]([H])(O)[C@@]1([H])N=C(C)O)(O[C@]1([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O[C@@]3([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]([H])(O)C=O)[C@]3([H])O)[C@]([H])(N=C(C)O)[C@@]2([H])O)[C@]1([H])O)C(O)=O,23.166199,0.497037405
DG(13:0/0:0/16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,23.167698,5.183058232
N-Acetylvaline,CC(C)C(NC(C)=O)C(O)=O,23.17472,13.30333948
DG(13:0/0:0/18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,23.185753,5.588813126
DG(8:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,23.193346,5.588813126
Not Found,[H]C(O)(CO)[C@]([H])(O[C@]1([H])O[C@@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@@]3([H])O)[C@]([H])(O[C@@]3([H])O[C@]([H])(C)[C@]([H])(O)[C@]([H])(O)[C@]3([H])O)[C@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O,23.19531,0.56870752
Isoleucyl-Glutamine,CCC(C)C(N)C(=O)NC(CCC(N)=O)C(O)=O,23.195753,0.465713441
DG(21:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,23.198168,5.90515621
TG(15:0/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,23.199707,5.841717869
Leucyl-Lysine,CC(C)CC(N)C(=O)NC(CCCCN)C(O)=O,23.199793,0.213256734
DG(17:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,23.207361,4.503183812
TG(20:0/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.21244,5.841717869
DG(i-19:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,23.21392,5.663807318
DG(13:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,23.216185,6.92435056
Not Found,[H][C@@](O)(CO)[C@@]([H])(O)[C@]1([H])O[C@@](C[C@]([H])(O)C1([H])N=C(C)O)(O[C@@]1([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O[C@@]3([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]([H])(O)C=O)[C@]3([H])O)[C@]([H])(N=C(C)O)[C@@]2([H])OC2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]1([H])O)C(O)=O,23.224535,0.729272701
TG(15:0/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.232407,5.841717869
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCC,23.23361,1.679242402
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCC,23.24221,1.679242402
DG(16:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,23.251331,5.90515621
Not Found,[H][C@@](O)(CO)[C@@]([H])(O)C1([H])O[C@@](C[C@]([H])(O)[C@@]1([H])N=C(C)O)(O[C@]1([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]2([H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@@]([H])(CO)O[C@@]([H])(O[C@@]3([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]([H])(O)C=O)[C@]3([H])O)[C@]2([H])N=C(C)O)[C@]1([H])O)C(O)=O,23.253431,0.729272701
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,23.257566,1.421384886
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCC,23.265749,1.618609577
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCC,23.266375,1.869419031
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCC,23.27423,1.988573931
DG(i-17:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,23.277546,4.503183812
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC,23.278238,1.988573931
Not Found,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@@]([H])(O)[C@@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC,23.281624,1.988573931
DG(i-21:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,23.28466,5.90515621
DG(19:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,23.285936,5.90515621
Methionyl-Glutamine,CSCCC(N)C(=O)NC(CCC(N)=O)C(O)=O,23.296053,0.354119926
"TG(24:0/15:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.298092,8.280465752
DG(21:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,23.301746,4.955971614
Not Found,[H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@]3([H])O[C@]3([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O,23.30263,0.62536262
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,23.308342,1.676611975
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,23.308537,1.676611975
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,23.308884,1.572314277
6-Hydroxydopamine,NCCC1=C(O)C=C(O)C(O)=C1,23.310158,3.261360526
Isoleucyl-Cysteine,CCC(C)C(N)C(=O)NC(CS)C(O)=O,23.312569,2.455825731
DG(i-15:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,23.31351,4.39793691
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.314404,1.676611975
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.316666,1.676611975
N-Methyl-a-aminoisobutyric acid,CNC(C)(C)C(O)=O,23.31804,11.53517663
Isoleucyl-Aspartate,CCC(C)C(N)C(=O)NC(CC(O)=O)C(O)=O,23.321577,1.481889002
3-Chlorotyrosine,NC(CC1=CC(Cl)=C(O)C=C1)C(O)=O,23.322323,6.543418765
DG(14:0/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.323387,7.84521997
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,23.325214,1.676611975
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,23.32684,1.676611975
DG(14:0/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.329119,7.84521997
4-hydroxybenzoic acid-4-O-sulphate,OC(=O)C1=CC=C(OS(O)(=O)=O)C=C1,23.335527,2.67420765
DG(18:0/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.34208,7.84521997
Isoleucyl-Alanine,CCC(C)C(N)C(=O)NC(C)C(O)=O,23.343988,2.287826687
DG(18:0/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.350061,7.84521997
TG(16:0/14:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCC,23.350939,7.431530952
DG(16:0/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.35544,7.84521997
DG(15:0/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.362757,7.84521997
DG(18:0/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,23.36448,7.84521997
Methionyl-Cysteine,CSCCC(N)C(=O)NC(CS)C(O)=O,23.367437,2.296629176
DG(20:0/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.368704,7.84521997
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,23.372992,1.734911278
DG(16:0/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.37465,7.84521997
DG(15:0/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.376282,7.84521997
Dopamine quinone,NCCC1=CC(=O)C(=O)C=C1,23.380898,19.03044283
DG(14:0/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,23.383787,7.96405822
DG(15:0/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,23.387442,7.84521997
DG(16:0/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,23.391438,7.84521997
DG(13:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,23.392204,6.749132276
TG(15:0/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,23.39534,5.841717869
TG(20:0/14:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCC,23.395468,7.431530952
TG(22:0/14:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCC,23.399353,7.431530952
DG(20:0/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,23.401245,7.84521997
Isoleucyl-Asparagine,CCC(C)C(N)C(=O)NC(CC(N)=O)C(O)=O,23.402475,0.361961313
DG(22:0/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.40296,6.139148772
Propyl alcohol,CCCO,23.403067,35.39647162
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.413197,1.734911278
DG(22:0/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.416553,7.84521997
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.423637,1.734911278
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,23.423874,1.734911278
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,23.426558,1.734911278
gamma-Carboxyglutamic acid,NC(CC(C(O)=O)C(O)=O)C(O)=O,23.428123,1.448455825
Formylanthranilic acid,OC(=O)C1=CC=CC=C1NC=O,23.435833,12.96967268
TG(18:0/14:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCC,23.438213,7.431530952
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,23.444544,1.793336123
Dihydrolipoamide,OC(=N)CCCCC(S)CCS,23.444773,40.24841785
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,23.447084,1.766674779
DG(22:0/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,23.452166,7.84521997
DG(18:0/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,23.468714,7.84521997
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,23.46944,1.734911278
L-beta-aspartyl-L-alanine,CC(NC(=O)CC(N)C(O)=O)C(O)=O,23.472298,1.391709968
DG(i-21:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,23.476093,5.90515621
Hydroxyprolyl-Arginine,NC(=N)NCCCC(NC(=O)C1CC(O)CN1)C(O)=O,23.478668,0.665705511
DG(18:0/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,23.47887,7.84521997
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,23.479336,1.498455647
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,23.481768,1.766674779
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,23.481997,1.734911278
DG(i-21:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,23.484509,5.90515621
Cysteinyl-Cysteine,NC(CS)C(=O)NC(CS)C(O)=O,23.486492,2.573308162
Not Found,[H]C(O)(CO)[C@@]([H])(O[C@]1([H])C[C@]([H])(CO)[C@]([H])(OC2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O[C@]1([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O)[C@@]([H])(O)C=O,23.488356,0.766564673
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.488894,1.728573255
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.496021,1.783235744
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,23.497517,2.003798075
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.49841,1.766674779
Tyrosyl-Glutamine,NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(N)=O)C(O)=O,23.506416,0.649405411
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.508753,1.766674779
DG(13:0/0:0/15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,23.51005,5.4581929
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,23.51038,1.766674779
DG(22:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,23.519207,5.90515621
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,23.519554,1.793336123
Aminomalonic acid,NC(C(O)=O)C(O)=O,23.520784,0.637532491
TG(20:0/16:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,23.525156,7.431530952
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,23.526249,2.003798075
DG(12:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,23.535608,5.588813126
Alloxan,O=C1NC(=O)C(=O)C(=O)N1,23.536558,2.455041558
DG(16:0/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,23.53776,7.84521997
TG(22:0/16:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,23.537903,8.395817876
DG(15:0/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,23.543129,7.64669925
DG(i-24:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,23.546719,5.90515621
TG(14:1(9Z)/20:2n6/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C([H])=C(\[H])CCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,23.547178,7.440286875
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,23.547733,1.883784682
Isoleucyl-Threonine,CCC(C)C(N)C(=O)NC(C(C)O)C(O)=O,23.547817,2.080439962
Not Found,[H]C(CCCCCCCCCCCCC)=C([H])C([H])(O)C([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)[C@@]([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(O)CO)[C@@]([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC,23.554523,1.921436377
Not Found,[H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@@]([H])(CO[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O,23.555761,0.619959179
"Trans-2, 3, 4-Trimethoxycinnamate",COC1=CC=C(\C=C\C(O)=O)C(OC)=C1OC,23.561378,21.73051089
DG(20:0/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,23.56279,7.84521997
DG(15:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,23.578691,4.39793691
"TG(15:0/22:2(13Z,16Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,23.583057,8.424472064
DG(20:1(11Z)/22:0/0:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC,23.58447,7.84521997
"TG(15:0/22:2(13Z,16Z)/24:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,23.6019,8.280465752
N-Formyl-L-glutamic acid,OC(=O)CC[C@H](NC=O)C(O)=O,23.603582,2.220420539
DG(10:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,23.605793,5.183058232
TG(18:0/16:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,23.609268,7.431530952
DG(i-24:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,23.614023,5.90515621
Not Found,[H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O[C@]3([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O,23.614077,0.619959179
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,23.619713,1.883784682
DG(i-19:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,23.622732,5.579292774
Tyrosyl-Glutamate,NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(O)=O)C(O)=O,23.633125,0.684496481
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,23.633379,1.883784682
DG(16:0/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,23.637846,7.84521997
TG(15:0/20:2n6/22:0),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,23.647673,8.650314063
DG(i-19:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,23.651487,5.90515621
DG(14:0/16:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,23.660368,5.588813126
DG(20:0/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,23.66324,7.84521997
DG(15:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,23.664682,5.90515621
DG(i-21:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,23.672073,5.90515621
O-Succinylcarnitine,C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC(O)=O,23.675425,8.080691099
"TG(15:0/24:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,23.67582,8.280465752
DG(18:0/16:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,23.679073,7.84521997
"1,3-Glyceryl dinitrate",OC(CON(=O)=O)CON(=O)=O,23.680346,2.317453176
Cysteinyl-Aspartate,NC(CS)C(=O)NC(CC(O)=O)C(O)=O,23.68854,2.170916647
DG(16:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,23.694939,5.90515621
DG(15:0/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,23.696486,7.64669925
DG(21:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,23.69959,5.90515621
DG(22:0/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,23.699604,7.84521997
TG(15:0/O-18:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,23.703428,6.618607789
3-Aminobutanoic acid,CC(N)CC(O)=O,23.70386,7.071746886
DG(20:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,23.705996,5.90515621
TG(15:0/22:0/20:2n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,23.706684,8.650314063
DG(i-24:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,23.709522,5.90515621
DG(20:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,23.7103,5.438110232
TG(15:0/20:2n6/20:0),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,23.71186,8.424472064
trans-Ferulic acid,COC1=C(O)C=CC(\C=C\C(O)=O)=C1,23.714985,13.19132447
O-Methylmalonylcarnitine,CC(C([O-])=O)C(=O)OC(CC(O)=O)C[N+](C)(C)C,23.715475,9.639583528
Tyrosyl-Asparagine,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(N)=O)C(O)=O,23.716825,0.61530997
5-Amino-6-ribitylamino uracil,NC1=C(NCC(O)C(O)C(O)CO)NC(=O)NC1=O,23.718163,0.786278863
Cysteinyl-Glutamate,NC(CS)C(=O)NC(CCC(O)=O)C(O)=O,23.721598,1.827586256
DG(24:0/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,23.722136,6.139148772
TG(15:0/18:1(11Z)/O-18:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,23.72446,7.414897531
TG(22:0/18:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,23.726574,8.424472064
TG(22:0/15:0/20:2n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.727196,8.650314063
TG(20:0/18:1(9Z)/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,23.731785,8.395817876
DG(17:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,23.740988,5.90515621
trans-Coniferylaldehyde,COC1=C(O)C=CC(\C=C\C=O)=C1,23.743778,27.68384814
"TG(15:0/18:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,23.745394,8.424472064
Not Found,[H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O[C@]5([H])OC([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]5([H])O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O,23.752522,1.033668127
DG(i-17:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,23.754698,5.663807318
Glycerylphosphorylethanolamine,OCCN(CC(O)CO)P(O)(O)=O,23.760862,1.351285912
DG(21:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,23.763115,5.90515621
"TG(18:0/15:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.763723,8.424472064
DG(8:0/0:0/16:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCC,23.765163,7.828702778
TG(20:0/15:0/20:2n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.767832,8.424472064
DG(8:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,23.76921,5.183058232
TG(15:0/20:0/20:2n6),[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,23.770468,8.424472064
DG(24:0/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,23.770473,6.139148772
L-Aspartyl-4-phosphate,NC(CC(=O)OP(O)(O)=O)C(O)=O,23.781652,0.897033047
"TG(20:0/15:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.787699,8.650314063
Cysteinyl-Glutamine,NC(CS)C(=O)NC(CCC(N)=O)C(O)=O,23.791958,0.336640654
DG(8:0/0:0/13:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCC,23.792854,8.644927293
Phenylbutyrylglutamine,NC(=O)CCC(NC(=O)CCCC1=CC=CC=C1)C(O)=O,23.796515,1.604926586
4-Methoxycinnamic acid,COC1=CC=C(\C=C\C(O)=O)C=C1,23.80792,29.08459902
DG(21:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,23.814568,5.90515621
DG(22:0/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,23.816278,7.84521997
Not Found,[H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(COC2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O[C@]3([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)C([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(O[C@]3([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O,23.816938,1.290827617
DG(16:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,23.819523,5.579292774
DG(24:0/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,23.825846,7.84521997
Coniferyl alcohol,COC1=CC(\C=C\CO)=CC=C1O,23.831343,17.78624207
DG(8:0/0:0/15:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCC,23.833107,6.922450662
DG(8:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,23.83917,5.4581929
3-Phosphoglyceric acid,OC(COP(O)(O)=O)C(O)=O,23.839767,1.950517483
Beta-Tyrosine,NC(CC(O)=O)C1=CC=C(O)C=C1,23.840858,8.010543138
DG(17:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,23.840893,5.90515621
TG(18:1(11Z)/15:0/24:1(15Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC\C([H])=C(\[H])CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.850586,8.650314063
TG(22:0/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,23.85219,6.147347391
o-Tyrosine,NC(CC1=CC=CC=C1O)C(O)=O,23.862099,7.431748509
DG(19:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,23.863207,5.90515621
DG(13:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,23.872076,4.327557236
TG(18:1(11Z)/15:0/22:1(13Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,23.874475,8.424472064
TG(22:0/16:1(9Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,23.877695,8.424472064
Tyrosyl-Aspartate,NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(O)=O)C(O)=O,23.885975,0.764048379
DG(i-22:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,23.891695,5.90515621
Alpha-Hydroxyhippuric acid,OC(NC(=O)C1=CC=CC=C1)C(O)=O,23.891722,4.144392535
DG(16:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,23.895222,5.90515621
DG(i-22:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,23.903116,5.90515621
Cysteinyl-Isoleucine,CCC(C)C(NC(=O)C(N)CS)C(O)=O,23.907494,2.455825731
"TG(22:2(13Z,16Z)/15:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC,23.911537,8.290223032
DG(20:0/16:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,23.911936,7.84521997
Acetylhomoserine,CC(=O)OCCC(N)C(O)=O,23.915167,3.030034155
Quinolinic acid,OC(=O)C1=CC=CN=C1C(O)=O,23.920977,8.409857005
DG(8:0/0:0/18:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,23.921137,5.370846763
DG(12:0/0:0/17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,23.922047,5.183058232
DG(20:1(11Z)/22:1(13Z)/0:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC,23.923098,7.84521997
DG(i-24:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,23.928835,5.90515621
Tyrosyl-Cysteine,NC(CC1=CC=C(O)C=C1)C(=O)NC(CS)C(O)=O,23.932833,4.730950296
Not Found,[H][C@@](O)(CO)C([H])(O)[C@]1([H])O[C@@](C[C@]([H])(O)[C@@]1([H])N=C(C)O)(O[C@@]1([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O[C@@]3([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]4([H])[C@@]([H])(CO)OC([H])(O[C@@]5([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@]([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]([H])(O)C=O)[C@]5([H])O)[C@]([H])(N=C(C)O)[C@@]4([H])O)[C@]3([H])O)[C@]([H])(N=C(C)O)[C@@]2([H])O)[C@]1([H])O)C(O)=O,23.937752,1.194180828
Methionyl-Glutamate,CSCCC(N)C(=O)NC(CCC(O)=O)C(O)=O,23.942604,1.213049516
DG(14:0/14:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,23.943275,5.721065402
DG(15:0/16:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,23.9443,5.588813126
DG(17:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,23.948456,5.438110232
Not Found,[H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(OC3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O[C@]5([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]6([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]7([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]7([H])O)[C@@]6([H])N=C(C)O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O,23.956615,1.130973455
DG(18:0/14:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,23.960491,7.96405822
DG(14:0/0:0/19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,23.964201,6.749132276
TG(14:0/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,23.971151,6.147347391
N-Hydroxy-l-tyrosine,ONC(CC1=CC=C(O)C=C1)C(O)=O,23.982634,3.872910514
4-Trimethylammoniobutanoic acid,C[N+](C)(C)CCCC(O)=O,23.986383,15.97242057
Not Found,[H][C@@](O)(CO)C([H])(O)[C@]1([H])O[C@@](C[C@]([H])(O)[C@@]1([H])N=C(C)O)(OC[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O[C@@]3([H])[C@@]([H])(O)[C@@]([H])(CO[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O[C@]5([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O[C@]5([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]5([H])O)[C@@]4([H])N=C(C)O)O[C@@]([H])(O[C@]([H])([C@]([H])(O)CO)[C@]([H])(O)[C@@]([H])(O)C=O)[C@]3([H])O)[C@]([H])(N=C(C)O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O)C(O)=O,23.991652,1.653729379
DG(20:0/22:1(13Z)/0:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCCCCCCCC,23.99201,7.84521997
"TG(14:0/20:4(8Z,11Z,14Z,17Z)/14:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,23.993916,7.440286875
"Trans-2-all-cis-6,9,12,15,18,21-tetracosaheptaenoyl-CoA",CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,23.99783,2.385304682
Methionyl-Threonine,CSCCC(N)C(=O)NC(C(C)O)C(O)=O,23.998592,2.732815593
Leucyl-Glutamine,CC(C)CC(N)C(=O)NC(CCC(N)=O)C(O)=O,24.00197,0.357506843
Pyridoxal,CC1=NC=C(CO)C(C=O)=C1O,24.005669,8.570162952
Clupanodonyl CoA,CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,24.012615,2.205200866
PnC(16:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)CC[N+](C)(C)C,24.019783,9.495674819
"(R)-2,3-Dihydroxy-isovalerate",CC(C)(O)[C@@H](O)C(O)=O,24.02165,6.365116686
DG(i-19:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,24.023863,5.90515621
4-Hydroxy-4-(3-pyridyl)-butanoic acid,OC(CCC(O)=O)C1=CC=CN=C1,24.024212,9.963762015
D-Glyceraldehyde 3-phosphate,OC(COP(O)(O)=O)C=O,24.031324,3.568673506
"TG(15:0/20:0/22:2(13Z,16Z))",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,24.03689,8.650314063
DG(24:0/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,24.03797,7.84521997
DG(14:0/20:1(11Z)/0:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCC,24.039598,7.84521997
Beta-Glycerophosphoric acid,OCC(CO)OP(O)(O)=O,24.04743,4.012492299
Methionyl-Aspartate,CSCCC(N)C(=O)NC(CC(O)=O)C(O)=O,24.050764,1.3767533
Asparaginyl-Valine,CC(C)C(NC(=O)C(N)CC(N)=O)C(O)=O,24.051987,0.625464972
DG(14:0/18:1(9Z)/0:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(CO)COC(=O)CCCCCCCCCCCCC,24.064936,7.96405822
3-Dehydrocarnitine,C[N+](C)(C)CC(=O)CC([O-])=O,24.076902,25.728634
DG(22:0/16:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,24.07702,7.84521997
DG(8:0/0:0/10:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC,24.087109,14.44329768
"TG(15:0/22:2(13Z,16Z)/20:0)",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,24.088896,8.650314063
TG(15:0/24:1(15Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C([H])=C(\[H])CCCCCCCC,24.095497,8.650314063
TG(15:0/18:1(11Z)/24:1(15Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC\C([H])=C(\[H])CCCCCCCC,24.102093,8.650314063
DG(18:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,24.106686,5.90515621
DG(8:0/0:0/12:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC,24.108234,8.722634614
TG(15:0/22:1(13Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C([H])=C(\[H])CCCCCCCC,24.122211,8.424472064
TG(15:0/18:1(11Z)/22:1(13Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C([H])=C(\[H])CCCCCCCC,24.125793,8.424472064
DG(20:0/14:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,24.136919,7.84521997
DG(16:0/14:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,24.138655,5.588813126
DG(14:0/0:0/24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,24.13919,6.92435056
Leucyl-Asparagine,CC(C)CC(N)C(=O)NC(CC(N)=O)C(O)=O,24.146988,0.273370347
Dihydroxyacetone Phosphate Acyl Ester,OP(O)(=O)OCC(=O)COC=O,24.14719,5.137539282
L-beta-aspartyl-L-phenylalanine,NC(CC(=O)NC(CC1=CC=CC=C1)C(O)=O)C(O)=O,24.149,2.878306806
Normetanephrine,COC1=CC(=CC=C1O)C(O)CN,24.149927,7.138825208
Aspartyl-Isoleucine,CCC(C)C(NC(=O)C(N)CC(O)=O)C(O)=O,24.156132,1.481889002
DG(15:0/14:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,24.156296,5.183058232
Leucyl-Glycine,CC(C)CC(N)C(=O)NCC(O)=O,24.160555,1.470922586
Phytyl diphosphate,CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O,24.164162,3.372226655
Isoleucyl-Serine,CCC(C)C(N)C(=O)NC(CO)C(O)=O,24.167234,2.376456745
Leucyl-Glutamate,CC(C)CC(N)C(=O)NC(CCC(O)=O)C(O)=O,24.167719,0.698622223
DG(24:0/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,24.171652,7.84521997
4-Hydroxy-3-methylbenzoic acid,CC1=CC(=CC=C1O)C(O)=O,24.186237,20.31226605
TG(20:0/16:0/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,24.194818,7.431530952
TG(15:0/18:1(11Z)/18:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,24.19621,7.431530952
Methylnoradrenaline,CC(N)C(O)C1=CC(O)=C(O)C=C1,24.220646,4.620331898
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,24.241459,1.843236387
DG(i-24:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,24.243912,4.620983452
TG(18:0/18:0/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,24.256647,7.431530952
TG(20:0/15:0/14:1(9Z)),[H]\C(CCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,24.257364,7.431530952
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,24.25884,1.843236387
Acetylphosphate,CC(=O)OP(O)(O)=O,24.264498,5.303012207
DG(i-21:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C,24.268753,5.90515621
Asparaginyl-Leucine,CC(C)CC(NC(=O)C(N)CC(N)=O)C(O)=O,24.273426,0.273370347
Leucyl-Threonine,CC(C)CC(N)C(=O)NC(C(C)O)C(O)=O,24.273579,1.921279542
Leucyl-Cysteine,CC(C)CC(N)C(=O)NC(CS)C(O)=O,24.274918,1.573974639
L-Hexanoylcarnitine,CCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,24.283348,38.37964237
Asparaginyl-Lysine,NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O,24.287302,0.363542
DG(22:0/14:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,24.289366,7.84521997
Valerylcarnitine,CCCCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C,24.290642,30.1358819
DG(10:0/0:0/17:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,24.29443,5.4581929
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,24.29609,1.817170344
Phosphonoacetate,OC(=O)CP(O)(O)=O,24.29987,0.701624108
Dodecanoylcarnitine,CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,24.310163,25.93895793
Tetradecanoylcarnitine,CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,24.310266,12.58066446
p-Anisic acid,COC1=CC=C(C=C1)C(O)=O,24.311304,26.38288438
TG(14:0/18:1(11Z)/15:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,24.312584,7.431530952
Stearoylcarnitine,CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,24.315947,8.604305238
Cysteinyl-Valine,CC(C)C(NC(=O)C(N)CS)C(O)=O,24.328577,2.10281387
TG(16:0/16:0/18:1(9Z))[iso3],[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,24.332375,7.431530952
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,24.334764,1.843236387
L-Octanoylcarnitine,CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,24.335741,43.46880317
L-Palmitoylcarnitine,CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,24.33623,10.37827134
Isoleucyl-Isoleucine,CCC(C)C(N)C(=O)NC(C(C)CC)C(O)=O,24.34298,1.754914597
Isoleucyl-Valine,CCC(C)C(N)C(=O)NC(C(C)C)C(O)=O,24.343143,2.072050422
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,24.343153,1.843236387
DG(24:0/16:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,24.350206,7.84521997
TG(14:0/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,24.352354,5.841717869
DG(18:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,24.358494,5.438110232
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,24.35925,1.843236387
(9Z)-3-Hydroxyoctadecenoylcarnitine,[H]\C(CCCCCCCC)=C(/[H])CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,24.362501,7.226996124
TG(24:1(15Z)/15:0/20:2n6),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCC)OC(=O)CCCCCCCCCCCCCC,24.364582,7.730449736
Tyrosyl-Serine,NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(O)=O,24.369547,1.2564932
Hydroxyprolyl-Cysteine,OC1CNC(C1)C(=O)NC(CS)C(O)=O,24.37128,2.633178793
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,24.373617,1.843236387
TG(15:0/18:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,24.38493,7.431530952
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,24.38585,1.843236387
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,24.391243,1.843236387
DG(22:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,24.398623,5.90515621
DG(21:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,24.401487,5.90515621
DG(i-18:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,24.40663,4.503183812
Hydroxyprolyl-Glutamate,OC1CNC(C1)C(=O)NC(CCC(O)=O)C(O)=O,24.406654,2.400155738
TG(18:0/15:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,24.414293,7.431530952
TG(18:1(11Z)/18:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,24.41681,7.528623194
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,24.41706,1.728573255
TG(15:0/14:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,24.43378,7.431530952
DG(15:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,24.436033,5.579292774
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,24.44409,1.843236387
DG(i-22:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,24.444487,5.90515621
Leu-Pro-Ile,CCC(C)C(N=C(O)C1CCCN1C(=O)C(N)CC(C)C)C(O)=O,24.448856,2.563867159
Isoleucyl-Leucine,CCC(C)C(N)C(=O)NC(CC(C)C)C(O)=O,24.45627,1.114910562
Leucyl-Valine,CC(C)CC(N)C(=O)NC(C(C)C)C(O)=O,24.456816,1.226638909
DG(24:0/14:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,24.46637,7.84521997
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,24.475864,1.843236387
DG(22:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,24.478756,4.620983452
DG(i-24:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C,24.48141,5.90515621
DG(i-14:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,24.482046,4.39793691
DG(i-20:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,24.482418,5.438110232
Dimethyl sulfone,CS(C)(=O)=O,24.483316,31.53046668
Cysteinyl-Methionine,CSCCC(NC(=O)C(N)CS)C(O)=O,24.484243,2.296629176
DG(19:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,24.492872,4.955971614
LPA(P-16:0e/0:0),CCCCCCCCCCCCCC\C=C/OC[C@](O)([H])COP(=O)(O)O,24.499733,5.862851068
Cysteinyl-Lysine,NCCCCC(NC(=O)C(N)CS)C(O)=O,24.50113,0.521969423
TG(18:0/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,24.502403,5.841717869
TG(14:0/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,24.506258,5.841717869
Phosphoenolpyruvic acid,OC(=O)C(=C)OP(O)(O)=O,24.509941,0.924694259
Leucyl-Isoleucine,CCC(C)C(NC(=O)C(N)CC(C)C)C(O)=O,24.518188,1.114910562
TG(14:0/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,24.521393,5.841717869
DG(20:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,24.522364,5.90515621
Dimethyl sulfoxide,CS(C)=O,24.526556,53.05773616
TG(16:0/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,24.529848,5.841717869
DG(i-21:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,24.530025,5.90515621
4-Methoxytyramine,COC1=C(O)C=C(CCN)C=C1,24.531141,6.661831588
TG(20:0/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,24.565292,5.841717869
TG(14:0/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,24.578037,5.841717869
DG(16:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,24.578909,4.503183812
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,24.594988,1.965421252
DG(14:0/0:0/17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,24.597013,5.588813126
Trimethyl phosphate,COP(=O)(OC)OC,24.597132,55.15983701
Cysteinyl-Alanine,CC(NC(=O)C(N)CS)C(O)=O,24.5986,1.758042164
DG(21:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,24.619856,4.620983452
TG(15:0/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,24.620508,5.841717869
Methionyl-Serine,CSCCC(N)C(=O)NC(CO)C(O)=O,24.628302,2.825631574
Aspartyl-Leucine,CC(C)CC(NC(=O)C(N)CC(O)=O)C(O)=O,24.629122,1.046963595
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,24.643559,1.965421252
DG(i-22:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,24.645775,5.90515621
DG(15:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,24.645779,5.90515621
2-Hydroxy-3-(4-methoxyphenyl)propanoic acid,COC1=CC=C(CC(O)C(O)=O)C=C1,24.652645,8.567925543
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,24.657822,1.965421252
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,24.667038,1.766674779
4-O-Methylgallic acid,COC1=C(O)C=C(C=C1O)C(O)=O,24.668043,4.015658796
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,24.670132,1.766674779
Cysteinyl-Leucine,CC(C)CC(NC(=O)C(N)CS)C(O)=O,24.67509,1.573974639
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,24.695696,1.766674779
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,24.699318,1.766674779
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,24.700459,1.766674779
Metanephrine,CNCC(O)C1=CC(OC)=C(O)C=C1,24.709608,4.448406771
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,24.719997,1.766674779
DG(16:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,24.723494,5.90515621
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,24.724438,1.766674779
Methionyl-Valine,CSCCC(N)C(=O)NC(C(C)C)C(O)=O,24.734938,1.315411087
Vanillactic acid,COC1=CC(CC(O)C(O)=O)=CC=C1O,24.7398,3.783620521
DG(21:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,24.739967,5.90515621
3-Methoxybenzenepropanoic acid,COC1=CC=CC(CCC(O)=O)=C1,24.74404,28.80659699
"3,4-Dimethylbenzoic acid",CC1=C(C)C=C(C=C1)C(O)=O,24.744097,36.4330411
DG(i-21:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,24.758772,5.438110232
DG(i-21:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,24.763176,5.90515621
TG(14:0/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,24.767809,5.841717869
DG(15:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,24.771416,5.438110232
Vanillic acid,COC1=C(O)C=CC(=C1)C(O)=O,24.775455,16.173096
DG(21:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,24.794725,5.90515621
3-Cresotinic acid,CC1=C(O)C(=CC=C1)C(O)=O,24.827732,20.55656314
2-Methylbenzoic acid,CC1=C(C=CC=C1)C(O)=O,24.83318,37.77519166
L-beta-aspartyl-L-leucine,CC(C)CC(NC(=O)CC(N)C(O)=O)C(O)=O,24.836727,1.046963595
Hordenine,CN(C)CCC1=CC=C(O)C=C1,24.851013,33.14031959
DG(22:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,24.851795,5.90515621
L-gamma-glutamyl-L-leucine,CC(C)CC(NC(=O)CCC(N)C(O)=O)C(O)=O,24.862352,0.698622223
DG(18:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,24.869701,5.90515621
DG(10:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,24.89073,7.029240578
DG(20:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,24.898697,5.90515621
DG(22:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,24.899595,5.90515621
DG(i-22:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,24.910675,5.90515621
3-Methoxy-4-hydroxyphenylglycolaldehyde,COC1=C(O)C=CC(=C1)C(O)C=O,24.915304,5.927828699
Methionyl-Leucine,CSCCC(N)C(=O)NC(CC(C)C)C(O)=O,24.919895,1.027833484
DG(19:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,24.9427,5.90515621
DG(16:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,24.948158,5.438110232
Pro-Pro-Phe,OC(=O)C(CC1=CC=CC=C1)N=C(O)C1CCCN1C(=O)C1CCCN1,24.955505,6.422562152
DG(22:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,24.972063,5.579292774
DG(i-22:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,24.974442,5.90515621
DG(12:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,24.97741,6.92435056
DG(18:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,24.988054,5.90515621
DG(19:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,24.996033,5.438110232
DG(i-20:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,25.031038,5.90515621
Glycyl-Methionine,CSCCC(NC(=O)CN)C(O)=O,25.048456,3.191934526
Glycyl-Lysine,NCCCCC(NC(=O)CN)C(O)=O,25.051142,0.454102643
DG(10:0/0:0/18:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,25.061398,5.4581929
PA(16:0e/18:0),[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC,25.062605,7.894201577
"1,2,4-Trimethylbenzene",CC1=CC(C)=C(C)C=C1,25.066944,49.19535518
DG(20:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,25.079445,5.90515621
DG(19:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,25.084055,4.503183812
Aspartyl-Methionine,CSCCC(NC(=O)C(N)CC(O)=O)C(O)=O,25.121317,1.3767533
DG(i-24:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,25.12915,5.90515621
Glycyl-Cysteine,NCC(=O)NC(CS)C(O)=O,25.142189,2.027796954
Gamma-Aminobutyryl-lysine,NCCCCC(NC(=O)CCCN)C(O)=O,25.149223,0.50727115
Leucyl-Methionine,CSCCC(NC(=O)C(N)CC(C)C)C(O)=O,25.149908,1.027833484
DG(12:0/0:0/18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,25.15354,5.588813126
DG(15:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,25.15485,5.90515621
Serinyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C(N)CO)C(O)=O,25.157469,0.293799373
3-Methylphenylacetic acid,CC1=CC(CC(O)=O)=CC=C1,25.160765,37.59216964
N-Acetyl-L-methionine,CSCCC(NC(C)=O)C(O)=O,25.166403,10.69957912
DG(i-24:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,25.173672,5.90515621
DG(18:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,25.178576,5.90515621
5-Methoxysalicylic acid,COC1=CC(C(O)=O)=C(O)C=C1,25.184305,14.28573281
Aspartyl-Lysine,NCCCCC(NC(=O)C(N)CC(O)=O)C(O)=O,25.185278,0.359264622
DG(i-19:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,25.187134,5.90515621
Tyramine,NCCC1=CC=C(O)C=C1,25.19863,8.459080011
DG(14:0/0:0/22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,25.220907,6.92435056
DG(17:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,25.228584,4.503183812
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.229704,1.883784682
DG(20:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,25.234089,5.90515621
Aspartyl-Alanine,CC(NC(=O)C(N)CC(O)=O)C(O)=O,25.236675,1.391709968
DG(i-13:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,25.243992,6.668579578
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.244778,1.883784682
DG(21:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,25.246689,5.438110232
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.248148,1.883784682
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.25395,1.883784682
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.25742,1.883784682
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.26641,1.883784682
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.268482,1.883784682
L-phenylalanyl-L-hydroxyproline,NC(CC1=CC=CC=C1)C(=O)N1CC(O)CC1C(O)=O,25.29285,4.774300754
DG(12:0/0:0/16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,25.295315,5.4581929
DG(i-19:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,25.302479,5.438110232
LysoPE(0:0/24:0),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,25.307041,4.717065766
DG(i-19:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,25.316599,4.503183812
DG(10:0/0:0/16:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,25.319483,5.370846763
DG(12:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,25.32516,6.749132276
DG(10:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,25.331146,5.588813126
DG(16:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,25.3372,5.90515621
DG(17:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,25.350496,5.663807318
DG(21:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,25.360409,5.90515621
DG(i-20:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,25.363384,5.90515621
3-Methylfuran,CC1=COC=C1,25.375135,38.67840171
o-Cresol,CC1=CC=CC=C1O,25.376324,39.72696364
DG(18:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,25.39818,4.503183812
DG(i-24:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,25.400356,5.90515621
DG(14:0/0:0/18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,25.401474,7.029240578
DG(10:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,25.404413,5.588813126
DG(17:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,25.408834,5.579292774
Capsaicin,COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1,25.413874,13.40161413
Hydroxyprolyl-Proline,OC1CNC(C1)C(=O)N1CCCC1C(O)=O,25.415125,3.764908388
"2,4-Dichlorophenol",OC1=CC=C(Cl)C=C1Cl,25.423386,30.53098023
Benzyl alcohol,OCC1=CC=CC=C1,25.430471,38.49169612
DG(i-18:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,25.43053,5.438110232
m-Cresol,CC1=CC=CC(O)=C1,25.433468,37.3623997
DG(16:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,25.435146,5.90515621
2-Methylthiophene,CC1=CC=CS1,25.440414,32.60958791
LysoPE(0:0/22:0),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,25.44392,5.439592525
DG(15:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,25.445963,5.90515621
LysoPE(0:0/16:0),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,25.448933,0.963366684
LysoPE(0:0/18:0),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,25.45293,1.372440811
Pyrocatechol,OC1=CC=CC=C1O,25.456997,30.34192324
DG(12:0/0:0/13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC,25.46903,6.529863924
DG(12:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,25.469654,7.029240578
LysoPE(0:0/15:0),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,25.476906,1.1279664
DG(14:0/0:0/16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,25.48182,5.588813126
DG(12:0/0:0/15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,25.50246,5.4581929
DG(18:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,25.508654,5.663807318
DG(15:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,25.516268,5.663807318
Lanthionine ketimine,OC(=O)C1CSCC(=N1)C(O)=O,25.527897,5.607293174
DG(i-22:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C,25.532227,5.90515621
4-Hydroxystyrene,OC1=CC=C(C=C)C=C1,25.533295,40.80008566
DG(i-20:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,25.540672,5.90515621
DG(i-17:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,25.547157,4.503183812
DG(10:0/0:0/13:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCC,25.548126,6.922450662
Pyrroline hydroxycarboxylic acid,OC1CC(N=C1)C(O)=O,25.56017,11.48653701
DG(20:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,25.570414,5.90515621
DG(14:0/0:0/21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,25.575733,6.92435056
DG(10:0/0:0/12:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC,25.577026,8.455269039
DG(14:0/0:0/20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,25.595428,6.92435056
"L-2,3-Dihydrodipicolinate",OC(=O)C1CC=CC(=N1)C(O)=O,25.607483,6.699157506
O-Adipoylcarnitine,C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCC(O)=O,25.608244,10.05373299
1-Pyrroline-4-hydroxy-2-carboxylate,OC1CN=C(C1)C(O)=O,25.608389,10.97544134
LysoPE(0:0/20:0),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,25.60917,2.304294892
DG(10:0/0:0/15:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,25.612597,6.529863924
9-Decenoylcholine,C[N+](C)(C)CCOC(=O)CCCCCCCC=C,25.615732,61.0265851
DG(i-16:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,25.63386,4.176246747
9-Decenoylcarnitine,C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCC=C,25.65278,48.15154374
DG(20:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,25.656078,5.90515621
Hexadecanedioic acid mono-L-carnitine ester,C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCCCC(O)=O,25.658947,9.433326125
DG(i-18:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,25.679998,5.90515621
DG(i-17:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,25.691317,5.438110232
DG(15:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,25.693304,4.503183812
DG(i-15:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,25.693592,4.176246747
DG(8:0/0:0/14:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCC,25.695572,8.455269039
DG(14:0/0:0/15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,25.711235,5.183058232
DG(13:0/0:0/14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,25.722736,5.4581929
Dimethylglycine,CN(C)CC(O)=O,25.733248,21.70378864
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.738852,1.965421252
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.739977,1.965421252
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.741219,1.965421252
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.74719,1.937627606
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.749851,1.965421252
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.753012,1.965421252
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,25.754652,1.701731794
LysoPE(0:0/14:0),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,25.762064,1.409150474
Not Found,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.770927,1.843236387
DG(15:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,25.776932,5.90515621
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.797146,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.805258,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.806562,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.812428,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.813896,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.814758,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.822063,1.728573255
DG(i-20:0/i-18:0/0:0),[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,25.82492,5.90515621
Pseudooxynicotine,CNCCCC(=O)C1=CC=CN=C1,25.845821,37.36315668
DG(i-20:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,25.864384,5.90515621
DG(19:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,25.864977,5.663807318
DG(16:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,25.87826,4.503183812
Not Found,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.88529,1.766674779
Ureidopropionic acid,NC(=O)NCCC(O)=O,25.885944,1.596264169
5-Hydroxypyrazinamide,NC(=O)C1=CNC(=O)C=N1,25.896648,3.806983307
Hydroxyisocaproic acid,CC(C)C[C@H](O)C(O)=O,25.899887,17.21619964
DG(i-17:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,25.90019,4.176246747
DG(i-20:0/i-17:0/0:0),[H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,25.904985,5.90515621
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.906874,1.766674779
Enol-phenylpyruvate,OC(=O)C(\O)=C\C1=CC=CC=C1,25.90784,21.435
Cinnamic acid,OC(=O)\C=C/C1=CC=CC=C1,25.915358,42.62012243
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.932384,1.766674779
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.93883,1.766674779
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.939747,1.766674779
DG(20:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,25.940992,5.90515621
trans-Cinnamic acid,OC(=O)\C=C\C1=CC=CC=C1,25.94394,42.62012243
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.944548,1.766674779
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.95194,1.766674779
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,25.954165,1.766674779
DG(8:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,25.95645,4.176246747
DG(i-15:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,25.95767,4.39793691
DG(i-22:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,25.959259,5.90515621
Orotic acid,OC(=O)C1=CC(=O)NC(=O)N1,25.984749,1.765770279
DG(22:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,26.008217,5.90515621
DG(20:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,26.014631,4.955971614
3-Hydroxypicolinic acid,OC(=O)C1=C(O)C=CC=N1,26.017769,11.15202308
Imidazolepropionic acid,OC(=O)CCC1=CNC=N1,26.019245,4.956433922
DG(13:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,26.023874,5.579292774
Glycyl-glycine,NCC(=O)NCC(O)=O,26.037022,2.100357227
Imidazoleacetic acid,OC(=O)CC1=CN=CN1,26.03807,4.565352574
LysoPE(24:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN,26.064278,4.971525073
L-beta-aspartyl-L-glycine,NC(CC(=O)NCC(O)=O)C(O)=O,26.07082,0.826025289
m-Coumaric acid,OC(=O)\C=C\C1=CC(O)=CC=C1,26.07909,22.75474519
DG(i-22:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,26.083015,5.90515621
D-Leucic acid,CC(C)C[C@@H](O)C(O)=O,26.08477,17.21619964
DG(10:0/0:0/14:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCC,26.088547,7.828702778
DG(8:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,26.09662,5.663807318
DG(16:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,26.100355,4.39793691
Tetrahydrodipicolinate,OC(=O)C1CCCC(=N1)C(O)=O,26.106226,7.423095405
Sumiki's acid,OCC1=CC=C(O1)C(O)=O,26.112148,13.26696873
DG(8:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,26.121584,4.39793691
DG(8:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC(C)C,26.133802,8.751513809
Cer(t18:0/16:0),[H][C@@](O)(C(O)CCCCCCCCCCCCCC)[C@]([H])(CO)NC(=O)CCCCCCCCCCCCCCC,26.138794,4.029830918
Allysine,NC(CCCC=O)C(O)=O,26.148643,6.076801196
DG(8:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,26.150791,6.831377745
Asparaginyl-Proline,NC(CC(N)=O)C(=O)N1CCCC1C(O)=O,26.193478,1.440712251
3-Pyridinebutanoic acid,OC(=O)CCCC1=CC=CN=C1,26.200092,28.61970961
DG(12:0/0:0/14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,26.20098,5.370846763
DG(21:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,26.20365,5.579292774
4-Hydroxycinnamic acid,OC(=O)\C=C\C1=CC=C(O)C=C1,26.204472,22.75474519
DG(8:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,26.214066,4.327557236
Methionyl-Proline,CSCCC(N)C(=O)N1CCCC1C(O)=O,26.239561,5.405897647
DG(8:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,26.24149,5.438110232
S-Acetyldihydrolipoamide-E,CC(=O)SCCC(S)CCCCC(N)=O,26.267632,26.11620128
Pyrrole-2-carboxylic acid,OC(=O)C1=CC=CN1,26.270796,18.26491356
DG(8:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,26.283499,6.668579578
DG(22:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,26.283543,5.90515621
2-Hydroxycinnamic acid,OC(=O)\C=C\C1=C(O)C=CC=C1,26.284285,20.61717361
DG(8:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC(C)C,26.294102,7.943159342
Palmitic amide,CCCCCCCCCCCCCCCC(N)=O,26.301212,44.65253055
Aminoadipic acid,NC(CCCC(O)=O)C(O)=O,26.30461,1.634621434
Aspartyl-Glutamine,NC(CC(O)=O)C(=O)NC(CCC(N)=O)C(O)=O,26.310793,0.319034723
N-Methylnicotinamide,CNC(=O)C1=CN=CC=C1,26.313612,14.40293342
Aspartyl-Asparagine,NC(CC(O)=O)C(=O)NC(CC(N)=O)C(O)=O,26.32078,0.30228456
Cysteinyl-Proline,NC(CS)C(=O)N1CCCC1C(O)=O,26.328827,6.898272038
DG(13:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,26.330305,5.663807318
Aspartyl-Aspartate,NC(CC(O)=O)C(=O)NC(CC(O)=O)C(O)=O,26.33338,0.240055891
Aspartyl-Glutamate,NC(CC(O)=O)C(=O)NC(CCC(O)=O)C(O)=O,26.34132,0.253357831
DG(8:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,26.34855,4.39793691
DG(13:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,26.348763,5.90515621
Picolinic acid,OC(=O)C1=CC=CC=N1,26.384418,12.58793324
DG(8:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,26.3894,4.503183812
DG(13:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,26.398176,5.90515621
S-Acetyldihydrolipoamide,CC(=O)SC(CCS)CCCCC(N)=O,26.40046,26.11620128
DG(i-18:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,26.411526,5.579292774
DG(13:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,26.440962,4.39793691
DG(15:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,26.44114,4.39793691
Aspartyl-Proline,NC(CC(O)=O)C(=O)N1CCCC1C(O)=O,26.46011,2.370453626
4-Hydroxybenzaldehyde,OC1=CC=C(C=O)C=C1,26.463366,37.06208766
DG(i-18:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,26.46717,5.663807318
DG(8:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC(C)CC,26.468937,8.673549443
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid,OC(=O)C(\O)=C\C1=CC=C(O)C=C1,26.471573,6.086681411
Acrylamide,NC(=O)C=C,26.475348,34.20960903
"keratan sulfate II (core 2-linked), degradation product 1",OC1=CC=C(C=O)C(O)=C1,26.48153,10.43591723
Aspartyl-Glycine,NC(CC(O)=O)C(=O)NCC(O)=O,26.486214,0.826025289
DG(15:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,26.49053,4.176246747
Pantothenic acid,CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O,26.50082,4.18209061
5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone,COC1=C(O)C=CC(CC2CCC(=O)O2)=C1,26.501045,21.15231007
"3,4-Dihydroxy-trans-cinnamate",OC(=O)\C=C/C1=CC(O)=C(O)C=C1,26.506025,6.499186158
DG(i-20:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,26.5115,5.90515621
DG(21:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,26.51372,5.90515621
DG(22:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,26.51818,5.90515621
Caffeic acid,OC(=O)\C=C\C1=CC(O)=C(O)C=C1,26.529774,6.499186158
DG(i-16:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,26.533361,4.503183812
"3,4-Dihydroxyphenylglycol O-sulfate",OCC(O)C1=CC(O)=C(OS(O)(=O)=O)C=C1,26.534239,2.838961408
DG(8:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,26.53865,7.572990656
DG(19:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,26.552214,5.90515621
4-Hydroxycrotonic acid,OC\C=C\C(O)=O,26.555862,19.5009023
DG(i-20:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,26.572273,5.579292774
Aspartyl-Cysteine,NC(CC(O)=O)C(=O)NC(CS)C(O)=O,26.579027,2.170916647
DG(20:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,26.592264,5.663807318
DG(i-22:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,26.594337,5.579292774
L-beta-aspartyl-L-aspartic acid,NC(CC(=O)NC(CC(O)=O)C(O)=O)C(O)=O,26.596117,0.253357831
DG(21:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,26.597048,5.90515621
4-Hydroxy-L-glutamic acid,NC(CC(O)C(O)=O)C(O)=O,26.611761,1.426920574
DG(19:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,26.612118,5.579292774
DG(13:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,26.629002,4.503183812
Asparaginyl-Serine,NC(CC(N)=O)C(=O)NC(CO)C(O)=O,26.664045,0.412736833
L-beta-aspartyl-L-glutamic acid,NC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O,26.666687,0.253357831
DG(i-20:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,26.67762,5.663807318
DL-2-Aminooctanoic acid,CCCCCCC(N)C(O)=O,26.704044,7.208280265
S-Glutaryldihydrolipoamide,NC(=O)CCCCC(S)CCSC(=O)CCCC(O)=O,26.729172,2.893857658
DG(i-18:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,26.736355,4.503183812
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,26.740465,1.843236387
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,26.740759,1.843236387
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,26.769222,1.843236387
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,26.772554,1.843236387
DG(i-14:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,26.775427,4.327557236
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,26.778547,1.843236387
L-beta-aspartyl-L-serine,NC(CC(=O)NC(CO)C(O)=O)C(O)=O,26.783363,0.468957005
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,26.790981,1.817170344
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,26.79823,1.843236387
PS(18:0/18:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,26.803158,3.031138889
DG(8:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,26.805922,6.831377745
PG(18:0/18:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,26.806475,2.581516281
Vanilpyruvic acid,COC1=C(O)C=CC(CC(=O)C(O)=O)=C1,26.811169,5.218047649
PG(18:0/16:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,26.819054,2.581516281
PG(16:0/18:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,26.819975,2.581516281
DG(22:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,26.825401,5.90515621
PS(16:0/18:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,26.828518,3.031138889
PS(18:0/16:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,26.829443,3.031138889
PG(16:0/16:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,26.833801,2.704787813
PC(O-16:0/2:0),CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O,26.849953,5.241734535
DG(15:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,26.869862,5.90515621
PS(18:0/20:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC)C(O)=O,26.88401,3.031138889
"1,2,3-Trihydroxybenzene",OC1=CC=CC(O)=C1O,26.895975,6.71467036
DG(i-24:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,26.90889,4.620983452
Ribose-1-arsenate,OCC1OC(O[As](O)(O)=O)C(O)C1O,26.90889,1.77579876
DG(8:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,26.912823,4.176246747
DG(20:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,26.944801,5.579292774
N-Methylhydantoin,CN1CC(=O)NC1=O,26.951368,14.59525675
DG(a-25:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,26.954977,5.90515621
PS(18:0/14:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,26.955988,3.175880387
DG(13:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,26.95859,5.438110232
PS(14:0/18:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,26.965109,3.175880387
DG(20:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,26.97415,5.90515621
PS(16:0/14:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,26.975834,3.175880387
PS(14:0/16:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,26.97957,3.175880387
DG(18:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,26.983961,5.579292774
DG(i-21:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,26.98609,5.579292774
LysoPC(28:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,26.987892,6.916507334
4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphate,OC(CCC(=O)OS(O)(=O)=O)CC1=CC(O)=C(O)C=C1,26.98988,4.053330794
DG(a-25:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,27.014854,4.620983452
PC(O-18:0/24:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,27.03756,4.586581886
4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate,OC(CCC(=O)OCOS(O)(=O)=O)CC1=CC(O)=C(O)C=C1,27.038187,2.758527733
PC(O-14:0/22:0),[H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,27.05522,5.531541258
PS(14:0/14:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,27.05735,3.362102807
LysoPC(P-18:0/0:0),[H][C@@](O)(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,27.064892,4.08462733
DG(19:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,27.080837,5.90515621
PC(O-20:0/22:0),[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,27.082527,4.586581886
PC(o-16:0/22:0),[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,27.08748,5.200943351
Aspartyl-Serine,NC(CC(O)=O)C(=O)NC(CO)C(O)=O,27.097725,0.468957005
PC(O-17:0/17:0),[H][C@@](COCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,27.10373,5.531541258
L-alpha-glutamyl-L-hydroxyproline,NC(CCC(O)=O)C(=O)N1CC(O)CC1C(O)=O,27.105082,1.235155389
DG(13:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.1094,5.90515621
PC(O-18:0/22:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,27.115778,4.586581886
DG(i-21:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,27.139082,5.90515621
S-(2-carboxypropyl)-Cysteamine,CC(CSCCN)C(O)=O,27.16098,6.344886124
3-Mercaptolactic acid,OC(CS)C(O)=O,27.165422,10.97173467
DG(i-16:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,27.167652,4.503183812
DG(8:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,27.178354,6.668579578
PC(O-20:0/18:0),[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,27.18609,5.200943351
LysoPC(24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,27.18788,6.916507334
PC(o-14:0/16:0),[H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,27.190147,5.531541258
N-Acetylaspartylglutamic acid,CC(=O)NC(CC(O)=O)C(=O)NC(CCC(O)=O)C(O)=O,27.192236,1.457337011
N-(2-Oxohexanoyl)homoserine lactone,[H][C@@]1(CCOC1=O)NC(=O)C(=O)CCCC,27.194033,9.704016894
PC(o-16:0/18:0),[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,27.197842,5.531541258
DG(21:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,27.198875,5.90515621
L-alpha-Aspartyl-L-hydroxyproline,NC(CC(O)=O)C(=O)N1CC(O)CC1C(O)=O,27.220854,0.749815628
DG(16:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,27.238297,5.663807318
Dihydrouracil,O=C1CCNC(=O)N1,27.241224,7.839095592
PC(O-20:0/16:0),[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,27.241333,5.531541258
PC(o-18:0/18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,27.24342,5.531541258
DG(i-16:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,27.259058,4.39793691
TG(17:0/i-19:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,27.2596,4.81902808
TG(16:0/i-19:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,27.260326,4.802636802
TG(16:0/i-20:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,27.26122,4.81902808
TG(17:0/i-20:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,27.264587,4.81902808
"1,3-Dichloropropene",ClC\C=C\Cl,27.26559,53.16051841
DG(i-24:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,27.272655,5.90515621
TG(16:0/i-17:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,27.273977,4.802636802
DG(i-13:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,27.27515,4.327557236
PC(O-18:0/16:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,27.295574,5.531541258
LysoPC(0:0/18:0),[H][C@@](CO)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,27.31511,5.454070494
Hawkinsin,NC(CSC1CC(O)C=CC1(O)CC(O)=O)C(O)=O,27.350996,1.10884821
TG(16:0/i-18:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,27.359556,4.802636802
TG(17:0/i-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,27.38346,4.802636802
DG(13:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,27.385931,4.503183812
DG(a-25:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCC(C)C,27.390602,4.955971614
TG(16:0/i-22:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.390799,4.81902808
Bicine,OCCN(CCO)CC(O)=O,27.392673,7.096976042
Methyl propenyl ketone,C\C=C\C(C)=O,27.392876,76.28276348
Beta-Citryl-L-glutamic acid,OC(=O)CCC(NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O,27.39965,0.338313519
DG(i-19:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,27.400475,5.663807318
TG(16:0/i-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,27.411205,4.802636802
CDP-DG(16:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC,27.422983,1.930714585
DG(a-25:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCC(C)C,27.437452,5.90515621
DG(i-24:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,27.438986,4.955971614
"(E,E)-2,4-Hexadienal",C\C=C\C=C/C=O,27.441242,87.06008792
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,27.442978,1.843236387
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,27.443941,1.766674779
DG(i-21:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,27.446716,5.90515621
DG(i-21:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,27.447067,5.90515621
But-2-enoic acid,C\C=C\C(O)=O,27.447418,27.01566219
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,27.449545,1.766674779
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,27.453419,1.843236387
DG(13:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,27.455875,6.668579578
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,27.45607,1.843236387
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,27.461115,1.728573255
TG(16:0/i-20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,27.46286,4.802636802
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,27.463049,1.766674779
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,27.463327,1.766674779
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,27.465178,1.843236387
Not Found,[H][C@@]1(CCOC1=O)N=C(O)CC(=O)CCCCC,27.46994,22.54239619
LysoPC(26:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,27.486109,6.916507334
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,27.486599,1.766674779
TG(16:0/i-24:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,27.49715,5.057617277
DG(13:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,27.498554,5.579292774
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,27.501497,1.965421252
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,27.5024,1.965421252
DG(18:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,27.50276,4.503183812
DG(i-12:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,27.505508,6.668579578
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,27.507118,1.965421252
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,27.508575,1.617139764
TG(16:0/i-19:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,27.510191,4.802636802
DG(a-25:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCC(C)C,27.51201,5.90515621
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,27.513859,1.617139764
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,27.521313,1.617139764
TG(16:0/i-22:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.52644,5.057617277
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,27.531837,1.617139764
lysoPC(6:0),[H][C@@](O)(COC(=O)CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,27.544708,10.45029387
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,27.54652,1.617139764
PC(O-20:0/20:0),[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,27.554373,4.586581886
N-Methyltyramine,CNCCC1=CC=C(O)C=C1,27.562008,25.65308511
TG(17:0/i-22:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.562593,5.057617277
PC(o-16:0/20:0),[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,27.568497,5.531541258
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,27.574968,1.766674779
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,27.58183,1.617139764
DG(13:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,27.586899,4.39793691
Orcinol,CC1=CC(O)=CC(O)=C1,27.588984,32.63656199
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,27.59777,1.766674779
TG(16:0/i-24:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,27.60446,5.057617277
DG(18:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,27.616283,5.438110232
PC(o-18:0/20:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,27.617256,5.200943351
Not Found,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,27.641567,1.617139764
DG(12:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,27.652422,6.668579578
DG(16:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,27.666811,4.176246747
TG(17:0/i-24:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,27.666868,4.841376841
TG(17:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,27.670568,5.057617277
DG(a-25:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,27.673582,5.90515621
TG(16:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,27.681496,4.81902808
DG(15:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,27.686815,4.609746113
DG(a-25:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCC(C)C,27.694452,5.90515621
PC(O-18:0/12:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,27.704618,5.531541258
DG(a-25:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.716528,4.620983452
TG(16:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,27.72221,4.802636802
TG(17:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,27.732988,5.057617277
TG(16:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,27.734186,5.057617277
TG(15:0/i-20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,27.735275,4.802636802
PC(O-20:0/14:0),[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,27.745499,5.531541258
PC(O-16:0/14:0),[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,27.751886,5.531541258
TG(16:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,27.753065,5.057617277
TG(17:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,27.753832,6.375283003
TG(16:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,27.760084,4.81902808
DG(16:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,27.77563,4.503183812
TG(16:0/i-15:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,27.77885,4.802636802
TG(17:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,27.778967,4.802636802
TG(16:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,27.794456,5.057617277
2-Methyl-3-furanthiol,CC1=C(S)C=CO1,27.806458,40.44129252
TG(16:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,27.81118,5.057617277
DG(20:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,27.81645,5.438110232
TG(16:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,27.822765,6.375283003
TG(17:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,27.83299,4.841376841
TG(17:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,27.83594,5.057617277
DG(13:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,27.841406,4.327557236
TG(17:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.843027,4.841376841
4-Coumaryl alcohol,OC\C=C\C1=CC=C(O)C=C1,27.851608,25.66097975
DG(14:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,27.853258,4.39793691
TG(16:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,27.856646,5.057617277
TG(16:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,27.860228,4.802636802
TG(16:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.874641,4.841376841
TG(16:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,27.879095,5.057617277
4-Methylcatechol,CC1=CC=C(O)C(O)=C1,27.886309,32.36892223
Hydroxyprolyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C1CC(O)CN1)C(O)=O,27.886396,0.757923955
TG(16:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.90585,4.841376841
PS(16:0/14:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,27.913637,3.175880387
TG(17:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,27.92462,4.81902808
DG(15:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,27.924915,4.503183812
TG(15:0/i-21:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,27.926275,4.802636802
TG(17:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,27.926313,5.057617277
TG(16:0/i-16:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,27.930674,4.802636802
TG(17:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,27.941368,5.057617277
DG(i-24:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,27.943342,5.90515621
DG(16:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,27.944242,5.438110232
2-Furanmethanethiol,SCC1=CC=CO1,27.946888,45.22744715
Prolyl-Gamma-glutamate,NC(CCC(=O)NC(=O)C1CCCN1)C(O)=O,27.969814,1.213921048
TG(16:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,27.969944,4.841376841
Phosphatidylcholine O-34:2,CCOP(=S)(OCC)SCSCC,27.97062,18.15033704
TG(15:0/i-19:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,27.971224,4.802636802
Homovanillin,COC1=C(O)C=CC(CC=O)=C1,27.979752,27.62992978
TG(16:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,27.986017,5.057617277
DG(i-24:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,27.991972,5.90515621
DG(a-25:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,27.997358,4.955971614
Homovanillic acid,COC1=CC(CC(O)=O)=CC=C1O,27.99824,10.16155556
TG(15:0/i-18:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,28.002285,4.802636802
TG(16:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,28.013147,4.81902808
LysoPC(22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,28.018755,6.653202325
DG(i-19:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,28.028858,5.579292774
DG(10:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,28.035532,6.831377745
TG(17:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,28.04116,5.057617277
DG(18:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,28.055141,5.90515621
DG(20:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,28.056644,5.90515621
TG(17:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,28.064102,4.841376841
L-glycyl-L-hydroxyproline,NCC(=O)N1CC(O)CC1C(O)=O,28.066061,2.84125749
DG(i-19:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,28.075134,5.90515621
DG(a-25:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,28.092674,4.620983452
D-Sedoheptulose 7-phosphate,OCC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O,28.09884,0.162670424
Sorbitol-6-phosphate,OCC(O)C(O)C(O)C(O)COP(O)(O)=O,28.105785,0.190527143
TG(17:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,28.107834,5.057617277
2-Methylerythritol,CC(O)(CO)[C@@H](O)CO,28.11889,6.535998732
TG(17:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,28.121439,5.057617277
DG(15:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,28.123892,4.503183812
TG(17:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,28.128593,6.375283003
Isohomovanillic acid,COC1=CC=C(CC(O)=O)C=C1O,28.130562,10.16155556
PS(18:0/14:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,28.14014,3.175880387
TG(16:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,28.143408,5.057617277
DG(a-25:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,28.146399,5.90515621
DG(a-13:0/20:0/0:0),[H][C@@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,28.14724,5.438110232
TG(17:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,28.151754,4.81902808
TG(17:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,28.15382,4.81902808
TG(16:0/i-21:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,28.156992,4.81902808
TG(15:0/i-22:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,28.183697,4.81902808
DG(i-17:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,28.195002,4.503183812
TG(16:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,28.198278,4.81902808
DG(13:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,28.218525,4.609746113
TG(17:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,28.225199,5.057617277
2-Methylfuran,CC1=CC=CO1,28.22861,46.55372202
TG(16:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,28.23526,4.81902808
DG(i-17:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,28.24089,5.663807318
DG(a-21:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,28.24551,5.579292774
LysoPC(16:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,28.251867,3.937045857
TG(17:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,28.253702,4.841376841
LysoPC(18:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,28.256094,5.454070494
DG(a-15:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,28.262943,4.609746113
TG(16:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,28.265999,4.841376841
TG(17:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,28.268946,5.057617277
LysoPC(15:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,28.271084,5.5257231
DG(15:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,28.277489,5.663807318
PS(14:0/14:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,28.286737,3.362102807
DG(i-15:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,28.29887,4.609746113
TG(15:0/i-24:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,28.314009,5.057617277
Cyclohexylamine,NC1CCCCC1,28.318007,36.97024584
DG(i-15:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,28.349184,4.503183812
DG(20:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,28.352251,5.90515621
TG(16:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,28.364338,4.81902808
DG(a-25:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,28.36948,5.90515621
DG(a-25:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCC(C)CC,28.375849,5.90515621
Not Found,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,28.379969,1.843236387
Mesaconic acid,C\C(=C/C(O)=O)C(O)=O,28.38005,16.15620852
TG(17:0/i-21:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,28.381155,5.057617277
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,28.383242,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,28.390217,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,28.391459,1.728573255
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,28.393553,1.965421252
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,28.397102,1.843236387
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,28.398348,1.843236387
2-Methoxy-4-vinylphenol,COC1=CC(C=C)=CC=C1O,28.399292,31.63002729
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,28.399403,1.843236387
Hydroxyprolyl-Glutamine,NC(=O)CCC(NC(=O)C1CC(O)CN1)C(O)=O,28.401943,0.980495661
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,28.403688,1.843236387
Hydroxyprolyl-Isoleucine,CCC(C)C(NC(=O)C1CC(O)CN1)C(O)=O,28.404158,2.215497568
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,28.40447,1.766674779
Vanillin,COC1=CC(C=O)=CC=C1O,28.406067,28.50236893
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,28.408585,1.965421252
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,28.409006,1.701731794
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,28.409498,1.965421252
Citraconic acid,C\C(=C\C(O)=O)C(O)=O,28.410357,16.15620852
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,28.412298,1.937627606
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,28.412502,1.965421252
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,28.415356,1.965421252
DG(20:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,28.42504,5.90515621
Cinnamoylglycine,OC(=O)CNC(=O)\C=C\C1=CC=CC=C1,28.428888,7.766928524
DG(i-17:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,28.432589,5.579292774
DG(12:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,28.440056,5.438110232
DG(a-25:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,28.449944,5.90515621
Hydroxyprolyl-Asparagine,NC(=O)CC(NC(=O)C1CC(O)CN1)C(O)=O,28.451006,0.640134886
TG(16:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,28.454948,5.057617277
DG(12:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,28.470564,4.39793691
Hydroxyprolyl-Methionine,CSCCC(NC(=O)C1CC(O)CN1)C(O)=O,28.473055,3.006702103
Hydroxyprolyl-Lysine,NCCCCC(NC(=O)C1CC(O)CN1)C(O)=O,28.473724,1.411124691
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,28.478712,1.766674779
"3-Hydroxyadipic acid 3,6-lactone",[H]OC(=O)CC1([H])CCC(=O)O1,28.490755,14.64231163
Eugenol,COC1=CC(CC=C)=CC=C1O,28.5045,31.63002729
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,28.50541,1.766674779
TG(17:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,28.505817,4.841376841
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,28.50866,1.766674779
TG(17:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,28.513702,4.841376841
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,28.51387,1.766674779
Hydroxyprolyl-Valine,CC(C)C(NC(=O)C1CC(O)CN1)C(O)=O,28.518562,2.297977917
TG(17:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,28.521029,4.81902808
4-Methoxyphenylacetic acid,COC1=CC=C(CC(O)=O)C=C1,28.522085,27.21594572
DG(a-25:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCC(C)C,28.52694,5.90515621
Hydroxyprolyl-Leucine,CC(C)CC(NC(=O)C1CC(O)CN1)C(O)=O,28.529137,1.892301254
Malabaricone C,OC1=CC=CC(O)=C1C(=O)CCCCCCCCC1=CC(O)=C(O)C=C1,28.535166,5.058128759
Homocysteine thiolactone,NC1CCSC1=O,28.543371,19.91232634
Pantetheine,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCS,28.543861,1.19736325
Homoveratric acid,COC1=CC=C(CC(O)=O)C=C1OC,28.546104,18.38028282
TG(15:0/i-17:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,28.548584,4.802636802
TG(16:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,28.55617,4.81902808
Dimethylsulfide,CSC,28.558922,43.1126833
3-Amino-2-piperidone,NC1CCCNC1=O,28.564264,12.92148381
Hydroxyprolyl-Threonine,CC(O)C(NC(=O)C1CC(O)CN1)C(O)=O,28.56437,1.450106874
cis-2-Methylaconitate,C\C(C(O)=O)=C(/CC(O)=O)C(O)=O,28.580616,1.634342037
DG(13:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,28.587133,4.503183812
DG(14:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,28.587187,5.90515621
Hydroxyprolyl-Serine,OCC(NC(=O)C1CC(O)CN1)C(O)=O,28.635681,1.268703677
N-Acetylarylamine,CC(=O)NC1=CC=CC=C1,28.642412,61.89630032
trans-Aconitic acid,OC(=O)C\C(=C/C(O)=O)C(O)=O,28.643148,1.814052276
TG(17:0/i-17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,28.644655,4.802636802
TG(17:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,28.65711,5.057617277
MG(14:0/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCC,28.66235,16.64501578
Hydroxyprolyl-Alanine,CC(NC(=O)C1CC(O)CN1)C(O)=O,28.667086,2.798144892
TG(20:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,28.670828,4.841376841
TG(15:0/i-21:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,28.67822,4.802636802
trans-Hex-2-enoic acid,CCC\C=C\C(O)=O,28.678251,35.67484915
Prolyl-Threonine,CC(O)C(NC(=O)C1CCCN1)C(O)=O,28.696793,2.424179576
TG(16:0/i-17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,28.7002,4.802636802
cis-Aconitic acid,OC(=O)C\C(=C\C(O)=O)C(O)=O,28.70076,1.814052276
PS(14:1(9Z)/16:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,28.706497,3.175880387
Prolyl-Glutamine,NC(=O)CCC(NC(=O)C1CCCN1)C(O)=O,28.70959,1.904146373
3-Methylglutaconic acid,C\C(CC(O)=O)=C/C(O)=O,28.718485,18.21677387
TG(20:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,28.72491,5.969008431
TG(20:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,28.732542,6.375283003
DG(i-22:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,28.73617,5.90515621
2-Hydroxyphenethylamine,NCC(O)C1=CC=CC=C1,28.736242,9.576643258
PGP(16:0/16:1(9Z)),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,28.737284,2.19596643
p-Cresol,CC1=CC=C(O)C=C1,28.738987,37.3623997
trans-trans-Muconic acid,OC(=O)\C=C\C=C\C(O)=O,28.739517,19.78218108
PGP(18:0/16:1(9Z)),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,28.741892,2.19596643
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,28.74201,1.883784682
Prolyl-Valine,CC(C)C(NC(=O)C1CCCN1)C(O)=O,28.74426,5.705193058
"cis,cis-Muconic acid",OC(=O)\C=C/C=C\C(O)=O,28.746973,19.78218108
DG(i-22:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,28.751432,5.90515621
"2,6-bis(1,1-dimethyl) Phenol",CC1=CC=CC(C)=C1O,28.754086,36.30670309
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,28.760538,1.883784682
(E)-2-Methylglutaconic acid,C\C(=C/CC(O)=O)C(O)=O,28.76684,20.45200467
"2,6-Di-tert-butylbenzoquinone",CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,28.774582,22.09347486
Benzamide,NC(=O)C1=CC=CC=C1,28.778425,26.58992112
MG(15:0/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCC,28.78282,16.90720916
DG(12:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,28.78713,5.90515621
N-Methylphenylethanolamine,CNCC(O)C1=CC=CC=C1,28.790047,18.1371063
PGP(16:1(9Z)/18:0),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,28.792526,2.19596643
DG(13:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,28.793253,4.176246747
2-Butyl-thiophene,CCCCC1=CC=CS1,28.79593,51.5632093
2-(Furan-2-ylmethyldisulfanylmethyl)furan,C(SSCC1=CC=CO1)C1=CC=CO1,28.802946,30.22102118
MG(20:0/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCC,28.804552,9.411153197
TG(20:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,28.807486,4.841376841
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,28.81036,1.883784682
PGP(18:1(9Z)/16:0),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,28.81489,2.19596643
PGP(16:1(9Z)/16:0),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,28.821527,2.19596643
DG(a-17:0/0:0/i-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,28.82153,4.503183812
"4-(1,1,3,3-Tetramethylbutyl)-phenol",CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1,28.821678,20.8778128
DG(14:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,28.822634,5.90515621
Guaiacol,COC1=C(O)C=CC=C1,28.823915,29.9259454
DG(i-14:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,28.827728,4.176246747
DG(i-22:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,28.842402,5.90515621
MG(16:0/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCC,28.854588,17.81271547
DG(i-22:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,28.861433,5.90515621
Prolyl-Lysine,NCCCCC(NC(=O)C1CCCN1)C(O)=O,28.878555,3.235254437
Vanylglycol,COC1=CC(=CC=C1O)C(O)CO,28.89521,6.212896854
DG(i-14:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,28.908861,4.39793691
Prolyl-Methionine,CSCCC(NC(=O)C1CCCN1)C(O)=O,28.921734,5.342165381
DG(14:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,28.928564,5.663807318
DG(i-18:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,28.931452,4.503183812
DG(14:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,28.93527,5.90515621
DG(14:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,28.951603,5.438110232
2-Phenylacetamide,NC(=O)CC1=CC=CC=C1,28.952593,30.55589199
PS(16:0/16:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,28.960958,3.175880387
TG(16:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,28.970018,4.841376841
PS(14:1(9Z)/18:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,28.977043,3.175880387
TG(16:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,28.977951,4.802636802
PS(16:0/18:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,28.98741,3.031138889
Nicotinuric acid,OC(=O)CNC(=O)C1=CN=CC=C1,28.989561,3.553150594
TG(15:0/i-19:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,28.99214,4.802636802
TG(17:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,28.993511,4.81902808
DG(i-18:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,28.996977,5.438110232
Hydroquinone,OC1=CC=C(O)C=C1,28.99966,36.64640188
DG(12:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,29.017319,5.90515621
DG(14:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,29.041134,4.176246747
TG(16:0/i-13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,29.045809,4.802636802
Nicotinic acid,OC(=O)C1=CN=CC=C1,29.100496,11.69911698
DG(12:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,29.102865,4.503183812
LysoPE(22:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN,29.10339,5.733028054
TG(15:0/i-18:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,29.104033,4.802636802
3-Dehydrosphinganine,CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO,29.106768,11.91590205
PS(14:1(9Z)/14:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,29.11006,3.362102807
"3,4-Dihydroxymandelic acid",OC(C(O)=O)C1=CC=C(O)C(O)=C1,29.12121,2.618166246
Dihydrothymine,CC1CNC(=O)NC1=O,29.13106,7.412205637
PS(18:0/16:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,29.131996,3.031138889
DG(i-18:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,29.140121,5.90515621
"3,4-Dihydroxyphenylacetaldehyde",OC1=C(O)C=C(CC=O)C=C1,29.14721,9.190879762
LysoPE(18:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN,29.149729,1.445409562
LysoPE(16:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OCCN,29.153875,1.014586072
Thymine,CC1=CNC(=O)NC1=O,29.15502,5.821520463
TG(19:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,29.175167,6.375283003
LysoPE(20:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCN,29.18512,2.335618436
DG(i-20:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,29.187769,5.438110232
3-Hydroxymandelic acid,OC(C(O)=O)C1=CC(O)=CC=C1,29.194927,6.133364141
Methane,C,29.199389,36.60072386
Formaldehyde,C=O,29.20127,35.9611243
TG(15:0/i-17:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,29.203083,4.802636802
2-Pyrocatechuic acid,OC(=O)C1=C(O)C(O)=CC=C1,29.208199,3.283507004
LysoPE(15:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COP(O)(=O)OCCN,29.209377,1.187937055
Lipoic acid,OC(=O)CCCC[C@@H]1CCSS1,29.216364,33.24271142
DG(14:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,29.224873,5.579292774
DG(10:0/0:0/i-21:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,29.22633,4.503183812
PS(14:0/18:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,29.233265,3.175880387
TG(20:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,29.239355,4.841376841
DG(12:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,29.246132,4.327557236
DG(a-21:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCC(C)C,29.25397,5.90515621
TG(15:0/i-22:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,29.254421,4.802636802
PS(14:0/16:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,29.256937,3.175880387
MG(18:0/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC,29.258862,10.1422891
TG(19:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,29.262295,4.841376841
3-Pyridylacetic acid,OC(=O)CC1=CN=CC=C1,29.27405,15.16438723
TG(20:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,29.277363,4.841376841
DG(i-20:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,29.283329,5.90515621
2-Phenylpropionate,CC(C(O)=O)C1=CC=CC=C1,29.285173,34.28047597
DG(12:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,29.291073,4.503183812
Prolyl-Serine,OCC(NC(=O)C1CCCN1)C(O)=O,29.296755,2.700509503
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,29.297619,1.617139764
p-Hydroxymandelic acid,OC(C(O)=O)C1=CC=C(O)C=C1,29.301243,6.133364141
2-Phenylbutyric acid,CCC(C(O)=O)C1=CC=CC=C1,29.305086,34.28047597
TG(19:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,29.31274,4.841376841
TG(20:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,29.32341,4.841376841
Tropic acid,OCC(C(O)=O)C1=CC=CC=C1,29.328848,9.021078795
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,29.336329,1.617139764
TG(15:0/i-20:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,29.337095,4.802636802
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,29.343996,1.617139764
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,29.352549,1.617139764
PS(16:1(9Z)/16:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,29.352665,3.175880387
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCC\C=C/CCCCCC,29.355469,1.617139764
TG(20:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,29.372658,6.375283003
Tyrosol,OCCC1=CC=C(O)C=C1,29.375628,13.86426091
Hydroxyphenyllactic acid,OC(CC1=CC=C(O)C=C1)C(O)=O,29.378262,6.938484311
TG(16:0/i-21:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,29.381361,4.81902808
Phenyllactic acid,OC(CC1=CC=CC=C1)C(O)=O,29.381891,12.10277528
TG(19:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,29.383661,4.841376841
DG(a-21:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCC(C)C,29.385876,5.90515621
Prolyl-Alanine,CC(NC(=O)C1CCCN1)C(O)=O,29.387178,4.280240089
DG(12:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,29.394386,4.176246747
MG(12:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCC,29.395346,24.13603812
Gentisate aldehyde,OC1=CC(C=O)=C(O)C=C1,29.403355,10.43591723
3-Succinoylpyridine,OC(=O)CCC(=O)C1=CC=CN=C1,29.413492,24.59235638
DG(12:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,29.417551,5.663807318
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC,29.42222,1.724337041
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC,29.428593,1.724337041
m-Chlorohippuric acid,OC(=O)CNC(=O)C1=CC(Cl)=CC=C1,29.433279,9.19701159
Not Found,CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC,29.442184,1.724337041
MG(10:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCC,29.45753,29.5522213
DG(a-21:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCC(C)C,29.465704,5.90515621
DG(14:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,29.476208,4.503183812
MG(13:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCC,29.491966,23.59886169
DG(14:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,29.495794,5.90515621
DG(12:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,29.506836,4.39793691
Phosphatidylethanolamine,[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,29.51174,3.911914676
m-Chlorobenzoic acid,OC(=O)C1=CC(Cl)=CC=C1,29.511786,38.62223923
TG(19:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,29.512337,5.057617277
DG(i-20:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,29.51889,5.90515621
MG(22:0/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC,29.519587,9.327312559
PE(24:0/P-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,29.521954,4.718028381
Terephthalic acid,OC(=O)C1=CC=C(C=C1)C(O)=O,29.540688,14.36058879
TG(20:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,29.543434,5.969008431
TG(20:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,29.545324,5.969008431
TG(20:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,29.547707,4.841376841
MG(21:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCC,29.557085,9.411153197
PS(16:1(9Z)/18:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,29.566277,3.031138889
PE(24:0/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,29.57016,4.718028381
PE-NMe2(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCCCCCCCCCC,29.581696,8.589105308
PE-NMe(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCCCCCCCCCC,29.585821,7.963077724
PE(14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,29.587837,4.718891531
PE(P-16:0e/0:0),[H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN,29.59042,1.061173063
Prolyl-Glutamate,OC(=O)CCC(NC(=O)C1CCCN1)C(O)=O,29.591461,3.359898925
DG(i-20:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,29.594973,5.90515621
MG(17:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCC,29.59895,12.4395296
PE(18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,29.603699,4.098714516
MG(19:0/0:0/0:0),[H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCC,29.603817,9.274701029
PS(18:1(9Z)/16:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,29.60925,3.031138889
PE(16:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,29.614698,4.718891531
DG(12:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,29.61822,5.579292774
TG(17:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,29.620207,4.841376841
PE(14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,29.632032,3.911914676
Prolyl-Tyrosine,OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1CCCN1,29.636988,2.328524366
DG(12:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,29.644579,5.438110232
4-Hydroxybenzyl alcohol,CC(=O)OCC1=CC=C(OC(C)=O)C=C1,29.64551,40.4176861
DG(14:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,29.651209,5.90515621
"2,4-Dichlorophenoxyacetic acid",OC(=O)COC1=C(Cl)C=C(Cl)C=C1,29.65451,30.16735911
MG(24:0/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,29.656538,8.319283277
DG(12:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,29.66033,7.572990656
TG(16:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,29.66116,4.841376841
DG(16:0e/18:0/0:0),[H][C@](CO)(COCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,29.661648,5.795936286
PE(15:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,29.663216,4.718891531
PE(18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,29.664904,3.911914676
DG(a-21:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCC(C)C,29.672523,5.90515621
DG(14:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,29.675308,4.39793691
DG(10:0/0:0/a-25:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,29.676313,5.90515621
DG(12:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,29.683403,6.668579578
"3-(3,4-Dihydroxyphenyl)lactic acid",OC(CC1=CC(O)=C(O)C=C1)C(O)=O,29.683537,2.087605558
DG(10:0/0:0/i-19:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,29.685432,4.176246747
"4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol",C[C@H](CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C(O)=O,29.68868,4.399387538
DG(10:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC(C)C,29.69094,7.943159342
Prolyl-Aspartate,OC(=O)CC(NC(=O)C1CCCN1)C(O)=O,29.697544,2.421765588
PS(16:1(9Z)/14:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,29.698738,3.175880387
PE(16:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,29.703945,3.911914676
DG(10:0/0:0/i-24:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,29.713158,5.579292774
PE(14:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,29.72583,4.718891531
L-prolyl-L-phenylalanine,OC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1,29.729313,5.959814414
PE(20:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,29.742718,3.911914676
PE(18:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,29.762589,4.098714516
DG(a-21:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,29.766504,5.438110232
"Cholestane-3,7,12,24,25-pentol",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC[C@H](O)C(C)(C)O,29.778503,4.401748627
"5a-Cholesta-8,24-dien-3-one",[H][C@@]12CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CCC2CC(=O)CC[C@]12C,29.778656,8.362486213
PE(14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,29.780584,4.098714516
DG(a-15:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,29.781218,4.39793691
DG(10:0/0:0/i-18:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,29.785004,4.39793691
DG(10:0/0:0/i-20:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,29.786839,4.503183812
PE(15:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,29.792126,3.911914676
TG(16:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,29.79795,5.057617277
DG(10:0/0:0/a-21:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,29.805721,4.503183812
TG(17:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,29.812197,5.057617277
DG(10:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,29.81234,6.831377745
"1-a,24R,25-Trihydroxyvitamin D2",C[C@H](\C=C\[C@@](C)(O)C(C)(O)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,29.814423,2.617530338
DG(10:0/0:0/i-15:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,29.815687,6.668579578
PS(18:1(9Z)/18:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,29.818327,3.031138889
DG(14:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,29.832987,4.327557236
1-(3-Aminopropyl)-4-aminobutanal,NCCCNCCCC=O,29.83409,11.0527955
DG(10:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,29.835678,6.668579578
TG(17:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,29.838583,4.841376841
TG(16:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,29.841839,5.057617277
7-Ketodeoxycholic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C,29.849508,5.096363649
PE(14:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,29.851969,3.911914676
PE(18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,29.852003,3.911914676
PE(14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,29.857567,4.718891531
4-Ethylphenol,CCC1=CC=C(O)C=C1,29.858084,33.72172117
PE(16:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,29.860334,4.200528935
TG(15:0/i-24:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,29.86793,4.81902808
DG(10:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,29.868172,7.572990656
DG(14:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,29.86975,4.503183812
"3,7-Dihydroxy-12-oxocholanoic acid",[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(=O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,29.879484,5.096363649
Prolyl-Cysteine,OC(=O)C(CS)NC(=O)C1CCCN1,29.880571,6.468516588
DG(14:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,29.895756,4.39793691
Gamma Hydroxybutyric Acid,OCCCC([O-])=O,29.896967,22.13282436
DG(14:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,29.899202,4.176246747
DG(12:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,29.909163,4.39793691
Formic acid,OC=O,29.92482,19.29790378
PE(18:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,29.928286,3.911914676
TG(21:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,29.93114,4.841376841
"PS(16:0/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,29.932825,2.898451127
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid,OC(CC(O)=O)C1=CC(O)=CC=C1,29.939552,7.367412746
PE(16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,29.942041,3.911914676
DG(10:0/0:0/i-22:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,29.943869,5.663807318
TG(18:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,29.950533,5.969008431
DG(12:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,29.968262,4.176246747
DG(10:0/0:0/i-17:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,29.973703,4.39793691
PS(18:1(9Z)/14:0),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,29.975473,3.175880387
Quinone,O=C1C=CC(=O)C=C1,29.97636,63.45055103
PE(18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,29.984219,3.911914676
"3,4-Dihydroxymandelaldehyde",OC(C=O)C1=CC(O)=C(O)C=C1,29.985592,6.283963472
PS(14:1(9Z)/14:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,29.98568,3.214927018
Benzaldehyde,O=CC1=CC=CC=C1,29.986853,81.65313005
TG(19:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,29.993614,5.969008431
PE(15:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,29.996626,4.718891531
"1,2-Benzoquinone",O=C1C=CC=CC1=O,29.998215,55.10511994
TG(21:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,30.004776,6.375283003
DG(10:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,30.01281,4.39793691
3-Phenylbutyric acid,CC(CC(O)=O)C1=CC=CC=C1,30.013668,34.56542492
DG(14:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,30.016548,4.503183812
PE(16:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,30.017187,3.911914676
Pentyl formate,CCCCCOC=O,30.02778,63.29817176
TG(21:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,30.034683,5.969008431
PE(20:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,30.038715,3.911914676
TG(15:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,30.049156,4.841376841
PE(15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,30.049435,4.098714516
PE(22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,30.051746,3.911914676
DG(a-21:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,30.069115,5.90515621
PE(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,30.07323,4.098714516
DG(i-16:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,30.079704,4.176246747
p-Synephrine,CNCC(O)C1=CC=C(O)C=C1,30.086866,8.731838316
TG(21:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,30.096869,4.841376841
CDP-DG(18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,30.097473,1.511848718
"PS(14:0/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,30.09947,3.036856651
5-Aminopentanoic acid,NCCCCC(O)=O,30.10062,5.545215309
CDP-DG(18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.10082,1.511848718
Nutriacholic acid,[H][C@@]12CCC([C@@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)C[C@]2([H])C[C@H](O)CC[C@]12C,30.105219,9.055538476
7-Hydroxy-3-oxocholanoic acid,[H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])CC(=O)CC[C@]12C,30.107964,9.055538476
DG(10:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,30.11016,4.327557236
Gamma-Aminobutyric acid,NCCCC(O)=O,30.110346,5.323995277
LysoPE(0:0/14:1(9Z)),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,30.118618,1.122867782
TG(21:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,30.13127,6.375283003
LysoPE(0:0/16:1(9Z)),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,30.135004,0.898808893
Hydroxypropionic acid,OCCC(O)=O,30.135794,16.60515815
TG(18:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,30.136997,4.841376841
3-Hydroxypropanal,OCCC=O,30.145905,30.21798432
TG(21:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,30.148367,5.969008431
6-Hydroxyhexanoic acid,OCCCCCC(O)=O,30.16886,23.9149496
Lithocholate 3-O-glucuronide,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,30.171986,2.567002922
PI(18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,30.178219,1.372329704
PE(15:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,30.180214,3.911914676
PI(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.182371,1.596181653
Glucosylceramide (d18:1/16:0),CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.183167,2.59931162
PI(18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.18389,1.45279821
PI(16:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCCCC,30.18607,1.372329704
PI(20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.191156,1.372329704
TG(20:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.191257,6.375283003
PE(15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,30.195814,4.200528935
TG(19:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,30.198675,6.375283003
TG(17:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,30.199593,5.057617277
Phenylacetaldehyde,O=CCC1=CC=CC=C1,30.205643,50.05146861
TG(19:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,30.206686,5.057617277
PE(20:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,30.20834,3.911914676
(R)-Mevalonic acid-5-pyrophosphate,C[C@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O,30.21615,1.051921584
DG(a-21:0/0:0/i-16:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCC(C)C,30.216501,5.90515621
"PS(18:2(9Z,12Z)/16:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,30.222338,2.898451127
DG(i-16:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,30.226282,4.503183812
TG(17:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,30.232365,5.057617277
TG(18:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,30.233433,6.375283003
TG(18:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,30.236488,4.841376841
TG(16:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,30.237429,5.057617277
6-Phosphonoglucono-D-lactone,O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC(=O)[C@@H]1O,30.241102,1.056986116
Hydantoin-5-propionic acid,OC(=O)CCC1NC(=O)NC1=O,30.241385,2.331479825
TG(19:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,30.249546,4.841376841
PE(22:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,30.251047,3.911914676
DG(a-15:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,30.251865,4.609746113
TG(15:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,30.253996,5.057617277
DG(a-21:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,30.254587,5.579292774
6-Hydroxynicotinic acid,OC(=O)C1=CN=C(O)C=C1,30.2569,10.55261493
Cholesterol sulfate,[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O,30.269564,2.56601721
DG(22:0/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.274483,5.418537557
DG(i-16:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,30.27526,5.438110232
TG(16:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,30.284245,5.057617277
TG(18:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,30.288288,5.057617277
TG(19:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.290018,6.375283003
TG(17:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,30.29123,5.057617277
"PS(18:2(9Z,12Z)/18:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,30.294088,2.898451127
TG(18:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,30.29687,5.057617277
TG(21:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.298544,5.969008431
TG(15:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,30.298923,4.841376841
PE(14:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.313442,3.911914676
TG(17:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,30.317837,4.81902808
PE(20:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,30.325314,3.911914676
4-Imidazolone-5-propionic acid,OC(=O)CCC1N=CNC1=O,30.334341,10.18807143
Propyl formate,CCCOC=O,30.344461,33.11884403
"4,5-Dihydroorotic acid",OC(=O)C1CC(=O)NC(=O)N1,30.347301,2.918739989
TG(18:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,30.34817,4.841376841
PIP3(18:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.357183,1.887632906
DG(20:0/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.35905,6.92435056
DG(16:0/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.365322,6.92435056
PE(18:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.376295,3.911914676
Tiglic acid,C\C=C(/C)C(O)=O,30.378971,28.07518244
DG(a-17:0/0:0/i-12:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,30.380571,4.176246747
TG(15:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,30.387798,5.057617277
N-Nitrosoproline,OC(=O)C1CCCN1N=O,30.391222,9.716191888
PE(20:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,30.396357,3.911914676
DG(15:0/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.398111,6.92435056
DG(18:0/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.400166,6.92435056
TG(19:0/19:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,30.411377,4.841376841
LysoPE(0:0/18:1(9Z)),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,30.414108,1.093615964
LysoPE(0:0/18:1(11Z)),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,30.422003,1.093615964
TG(19:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,30.424845,4.841376841
Ethanol,CCO,30.443039,33.2346648
TG(19:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,30.447432,4.841376841
TG(15:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,30.449162,4.802636802
PS(16:1(9Z)/14:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,30.451544,3.036856651
PE(20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,30.454489,3.911914676
PIP2(16:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.462566,2.25753244
TG(15:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,30.462786,4.81902808
TG(18:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,30.472443,5.057617277
TG(19:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,30.473885,5.969008431
2-Propyn-1-al,O=CC#C,30.47593,56.34323955
TG(18:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,30.4782,4.841376841
TG(19:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.47882,4.841376841
PIP2(16:0/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.479273,3.102659248
PIP(16:1(9Z)/18:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.482597,2.242497914
TG(19:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,30.483112,5.057617277
TG(15:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,30.48497,5.057617277
Galabiosylceramide (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC\C=C/CCCCCCCC,30.486858,1.421426609
TG(15:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,30.487885,4.81902808
3-Phenylpropionylglycine,OC(=O)CNCCC(=O)C1=CC=CC=C1,30.488125,7.002843171
Campestanol,[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)CC[C@]12C,30.489431,9.066490084
TG(18:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,30.49356,5.057617277
PIP(18:1(9Z)/16:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.493755,1.696156338
PE(P-16:0e/18:1(9Z)),[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,30.496088,5.57735078
TG(21:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,30.497698,5.057617277
Iso-Valeraldehyde,[H]C(=O)CC(C)C,30.499578,53.41742635
"PGP(18:2(9Z,12Z)/16:0)",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,30.500135,2.19596643
PIP(20:1(11Z)/16:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.501162,1.602208428
PIP(18:1(9Z)/18:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,30.503231,1.602208428
PE(22:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,30.504004,3.911914676
TG(18:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,30.505709,4.81902808
PIP2(18:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.507769,1.887632906
TG(18:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,30.512623,4.841376841
DG(a-17:0/0:0/i-14:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,30.512762,4.503183812
2-Methoxyestrone 3-glucuronide,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=CC(OC)=C(O[C@@H]4O[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)C=C3CC[C@@]21[H],30.513197,4.406759143
Fucose 1-phosphate,C[C@@H]1OC(OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,30.515282,1.104495861
Ribonic acid,OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O,30.515368,1.087143645
"PS(18:2(9Z,12Z)/14:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,30.515936,3.036856651
DG(a-21:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,30.518116,5.90515621
"PI(18:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,30.518307,1.087670121
Acetaminophen,CC(=O)NC1=CC=C(O)C=C1,30.519527,28.60620916
"PGP(18:2(9Z,12Z)/18:0)",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,30.521915,2.19596643
PE(16:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.523588,3.911914676
TG(15:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,30.524069,4.802636802
DG(24:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,30.525534,6.92435056
PI(16:1(9Z)/16:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.52607,1.596181653
TG(19:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.527897,4.841376841
TG(15:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,30.529436,4.81902808
PI(16:1(9Z)/18:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,30.52984,1.45279821
PI(18:1(11Z)/16:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,30.535025,1.45279821
TG(17:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,30.540087,4.841376841
DG(a-21:0/0:0/a-17:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCC(C)CC,30.5416,5.90515621
TG(16:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,30.54161,4.81902808
TG(18:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,30.542398,4.81902808
TG(15:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,30.546124,4.802636802
Not Found,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.548145,1.766674779
"5b-Cholestane-3a,7a,12a,24,25-pentol",[H][C@@]12CC[C@H]([C@H](C)CCC(O)C(C)(C)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C,30.553038,4.401748627
10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide,CCCCC\C=C/C[C@@H](O)[C@@H](CCCCCCCC(O)=O)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,30.55355,1.074637566
Benzoyl glucuronide (Benzoic acid),O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O,30.555698,2.575564571
DG(24:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,30.556044,5.418537557
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.559929,1.766674779
Glycolaldehyde,OCC=O,30.562284,27.74826288
LysoPE(0:0/22:1(13Z)),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,30.563814,4.450505227
PIP2(18:0/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.565758,2.25753244
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.570297,1.766674779
TG(15:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,30.572496,5.057617277
Pantothenol,CC(C)(CO)C(O)C(=O)NCCCO,30.57261,4.190751165
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.572847,1.766674779
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.57364,1.766674779
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.573982,1.766674779
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.574602,1.766674779
LysoPE(14:0/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COP(O)(=O)OCCN,30.576902,1.484070905
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,30.57794,1.766674779
1-Hexanol,CCCCCCO,30.583118,43.35625768
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,30.586561,1.883784682
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,30.588274,1.883784682
TG(19:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,30.588942,5.057617277
LysoPE(0:0/20:1(11Z)),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,30.59296,1.836154796
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,30.593426,1.883784682
Octanol,CCCCCCCCO,30.593523,43.60429645
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,30.594551,1.883784682
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,30.595451,1.883784682
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,30.596823,1.883784682
TG(18:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.597208,4.841376841
TG(20:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.59793,6.375283003
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,30.598404,1.883784682
DG(a-17:0/0:0/a-13:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,30.601032,4.503183812
TG(15:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,30.603226,5.057617277
TG(15:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.604095,5.057617277
TG(16:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,30.620226,4.81902808
TG(17:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,30.632118,4.841376841
TG(19:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,30.64776,5.057617277
PE(15:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.653446,3.911914676
5-Hydroxymethyluracil,OCC1=CNC(=O)NC1=O,30.660418,4.828239977
PIP(16:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.669506,1.696156338
LysoPE(0:0/24:1(15Z)),[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,30.670792,4.717065766
TG(18:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.671724,4.841376841
S-(2-Methylpropionyl)-dihydrolipoamide-E,CC(C)C(=O)SCCC(S)CCCCC(N)=O,30.672897,17.45929271
TG(15:0/i-21:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.67964,4.81902808
TG(16:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,30.680647,4.841376841
PIP(18:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.691956,1.602208428
TG(16:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,30.699667,5.057617277
PE(22:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,30.708385,3.911914676
"2,6-Dihydroxybenzoic acid",OC(=O)C1=C(O)C=CC=C1O,30.713556,3.712935746
PIP(18:0/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.720123,1.696156338
PIP2(16:0/20:1(11Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.720257,1.887632906
TG(21:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,30.733559,5.057617277
TG(18:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.736786,5.057617277
PIP[3'](16:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(O)(O)=O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCC,30.739857,1.696156338
S-(3-Methylbutanoyl)-dihydrolipoamide-E,CC(C)CC(=O)SCCC(S)CCCCC(N)=O,30.739914,18.64587367
"2,2,2-Trichloroethanol",OCC(Cl)(Cl)Cl,30.739943,34.83918011
DG(a-17:0/0:0/a-15:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,30.741108,5.663807318
PS(18:1(9Z)/14:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,30.751032,3.036856651
PE(22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,30.753998,3.911914676
TG(20:0/19:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,30.760014,4.841376841
Monobutylphthalate,CCCCOC(=O)C1=CC=CC=C1C(O)=O,30.76145,17.53094643
PE(22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,30.765211,3.911914676
TG(15:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.785778,5.057617277
TG(19:0/21:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,30.806356,6.375283003
PIP2(16:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.80834,2.25753244
TG(15:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,30.817575,4.81902808
L-prolyl-L-proline,OC(=O)C1CCCN1C(=O)C1CCCN1,30.838293,3.006974421
Aspirin,CC(=O)OC1=CC=CC=C1C(O)=O,30.839973,20.81652433
DG(24:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,30.843288,6.92435056
TG(15:0/i-20:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,30.851648,4.802636802
TG(17:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,30.852766,4.802636802
Salicyluric acid,OC(=O)CNC(=O)C1=C(O)C=CC=C1,30.853054,5.097992718
TG(19:0/20:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,30.862282,4.841376841
PS(14:1(9Z)/16:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,30.864166,3.036856651
TG(15:0/i-19:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,30.868732,4.802636802
PE(20:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,30.877737,3.911914676
TG(15:0/i-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,30.882404,4.802636802
TG(20:0/18:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,30.890522,4.841376841
TG(18:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,30.909233,5.057617277
PIP2(18:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.917257,1.887632906
TG(18:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,30.94586,5.057617277
PIP(16:0/20:1(11Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,30.953354,1.602208428
TG(18:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,30.957544,5.057617277
PA(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC,30.966814,6.801749766
TG(15:0/i-24:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,30.970985,5.057617277
TG(20:0/17:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,30.992783,4.841376841
TG(18:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,30.998781,4.841376841
TG(18:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,31.006567,4.841376841
PE(24:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,31.008614,3.911914676
TG(15:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,31.017544,4.81902808
TG(18:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,31.0307,5.057617277
TG(16:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,31.034931,4.802636802
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,31.037922,1.724337041
TG(15:0/i-22:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,31.03983,4.81902808
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,31.041807,1.724337041
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,31.042055,1.724337041
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,31.043522,1.724337041
DG(17:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,31.045012,6.92435056
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,31.046043,1.724337041
TG(18:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,31.049059,5.057617277
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,31.049227,1.724337041
TG(18:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,31.050478,4.841376841
PIP(16:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,31.050547,1.696156338
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC,31.054695,1.724337041
TG(18:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,31.07294,5.057617277
DG(21:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,31.076073,6.92435056
DG(24:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,31.076572,6.92435056
Not Found,CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,31.081514,1.617139764
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,31.08397,1.617139764
Not Found,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,31.084824,1.617139764
Not Found,CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,31.08509,1.617139764
TG(18:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,31.086079,6.375283003
TG(18:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,31.087025,5.057617277
Not Found,CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,31.087725,1.617139764
Not Found,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,31.090553,1.617139764
TG(15:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,31.090742,5.057617277
Not Found,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,31.093857,1.617139764
PS(14:1(9Z)/18:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,31.098312,3.036856651
PIP(18:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,31.099932,1.602208428
Not Found,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC,31.100058,1.617139764
TG(14:0/i-21:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,31.104786,4.802636802
Gentisic acid,OC(=O)C1=C(O)C=CC(O)=C1,31.107542,3.712935746
"2,6 dimethylheptanoyl carnitine",CC(C)CCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,31.11397,27.07334757
PE(24:0/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,31.124056,4.769897461
TG(20:0/16:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,31.129965,5.057617277
"4,8 dimethylnonanoyl carnitine",CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,31.14141,18.01106781
"PGP(18:3(6Z,9Z,12Z)/18:0)",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,31.141594,2.19596643
TG(15:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,31.145924,4.81902808
TG(16:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,31.147522,4.841376841
PE(22:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,31.147837,3.911914676
TG(18:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,31.150782,4.841376841
3-Hydroxyhippuric acid,OC(=O)CNC(=O)C1=CC=CC(O)=C1,31.160208,5.016887188
Hydroxyphenylacetylglycine,OC(=O)CNC(=O)CC1=CC=C(O)C=C1,31.165747,4.937049001
TG(17:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,31.166899,4.81902808
"PGP(18:3(6Z,9Z,12Z)/16:0)",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,31.170893,2.19596643
TG(15:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,31.179195,4.81902808
"PGP(16:0/20:3(5Z,8Z,11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,31.181265,2.19596643
"PGP(18:0/20:3(5Z,8Z,11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,31.192766,2.00082045
TG(18:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,31.19356,4.841376841
PE(24:0/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,31.198355,4.769897461
PE(24:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,31.199167,3.911914676
"PGP(18:3(9Z,12Z,15Z)/18:0)",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,31.206669,2.19596643
TG(19:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,31.209362,6.375283003
"PGP(16:0/20:3(8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,31.210068,2.19596643
PG(16:1(9Z)/18:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,31.211273,2.696717344
TG(16:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,31.211754,4.802636802
PG(18:1(9Z)/18:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,31.213408,2.696717344
TG(15:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,31.22091,4.802636802
PG(16:1(9Z)/16:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,31.225409,2.825489454
TG(15:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,31.234186,4.841376841
Hippuric acid,OC(=O)CNC(=O)C1=CC=CC=C1,31.234861,6.380907446
"PGP(18:3(9Z,12Z,15Z)/16:0)",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,31.235258,2.19596643
TG(15:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,31.242954,5.057617277
PG(18:1(9Z)/16:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,31.243553,2.696717344
TG(20:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,31.243755,6.375283003
"PGP(18:0/20:3(8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,31.24496,2.00082045
DG(21:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,31.246458,6.92435056
TG(20:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,31.250359,6.375283003
DG(17:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,31.259914,6.92435056
Spermidine,NCCCCNCCCN,31.263102,4.696139321
PE(24:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,31.272493,3.911914676
TG(18:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,31.273582,4.841376841
Phenylacetylglycine,OC(=O)CNC(=O)CC1=CC=CC=C1,31.274796,10.13615504
TG(18:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,31.286915,5.057617277
TG(15:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,31.290892,4.802636802
TG(15:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,31.292307,4.81902808
Phenylpropionylglycine,OC(=O)CNC(=O)CCC1=CC=CC=C1,31.29413,9.151444584
Methylhippuric acid,COC(=O)CNC(=O)C1=CC=CC=C1,31.29768,10.81466228
PE(24:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,31.303667,3.911914676
PE(24:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,31.308702,3.911914676
PE(24:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,31.319874,3.911914676
TG(18:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,31.343992,6.375283003
PE(22:0/P-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,31.346796,4.718028381
TG(20:0/15:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,31.373201,5.057617277
gallic acid,OC(=O)C1=CC(O)=C(O)C(O)=C1,31.374243,2.226837352
PE(22:0/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,31.3772,4.718028381
TG(15:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,31.381853,5.057617277
TG(15:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,31.397354,5.057617277
PG(18:1(11Z)/18:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,31.39836,2.696717344
TG(15:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,31.403791,4.81902808
Isobutyrylcarnitine,[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)C(C)C,31.41182,20.55801004
PG(18:1(11Z)/16:0),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,31.421299,2.696717344
PE(24:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,31.424564,3.911914676
LysoPC(14:1(9Z)),CCCC\C=C/CCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C,31.426556,6.878626347
TG(15:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,31.430727,5.057617277
TG(18:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,31.43227,6.375283003
PG(16:0/16:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,31.434053,2.825489454
TG(15:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,31.437962,4.802636802
Octadecanol,CCCCCCCCCCCCCCCCCCO,31.449722,35.32731533
PIP3(18:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,31.451914,1.887632906
DG(21:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,31.452663,6.92435056
TG(19:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,31.45553,4.841376841
PE(20:0/dm18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,31.459026,4.718028381
PIP3(18:1(11Z)/18:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,31.46415,1.887632906
PS(16:1(9Z)/16:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,31.471716,3.036856651
Iminoaspartic acid,OC(=O)CC(=N)C(O)=O,31.47689,0.741224177
DG(21:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,31.480923,6.92435056
DG(19:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,31.484503,6.92435056
Isovaleryl-L-carnitine,[H][C@@](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CC(C)C,31.485733,37.36586869
LysoPC(28:1(5Z)),CCCCCCCCCCCCCCCCCCCCCC\C=C\CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,31.48725,7.596518844
LysoPC(26:1(5Z)),CCCCCCCCCCCCCCCCCCCC\C=C\CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,31.493355,7.596518844
PG(18:0/16:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,31.494795,2.696717344
PE(20:0/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,31.496647,4.718028381
"PGP(16:0/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,31.500008,1.910258457
TG(19:0/22:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,31.500656,6.375283003
DG(19:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,31.502779,6.92435056
DG(17:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,31.507217,6.92435056
PG(16:0/18:1(11Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,31.509237,2.696717344
PI(16:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,31.513195,1.45279821
"PGP(18:0/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,31.513308,1.740502194
PE(18:0/P-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,31.520964,4.718028381
TG(19:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,31.522469,5.057617277
DG(24:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,31.524221,6.92435056
TG(17:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,31.526646,4.802636802
PE(15:0/P-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,31.532078,4.943321273
PG(18:0/18:1(11Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,31.538557,2.696717344
LysoPC(18:1(11Z)),CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C,31.539043,5.990299582
PE(16:0/P-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,31.539515,5.339091644
TG(17:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,31.5443,4.841376841
PI(16:0/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,31.549126,1.596181653
TG(15:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,31.554125,4.81902808
PE(14:0/P-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,31.556793,5.066116899
PE(18:0/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,31.55691,5.339091644
PE(15:0/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,31.562874,5.066116899
TG(16:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,31.5712,4.802636802
PI(18:0/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,31.572287,1.45279821
"PGP(16:0/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,31.573847,1.740502194
PE(16:0/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,31.578957,5.066116899
PG(16:0/18:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,31.57976,2.696717344
PE(14:0/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,31.582527,5.066116899
Monoethylhexyl phthalic acid,CCCCC(CC)COC(=O)C1=CC=CC=C1C(O)=O,31.586668,21.33927196
PG(18:0/18:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,31.599966,2.696717344
TG(15:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,31.601072,5.057617277
Monoisobutyl phthalic acid,CC(C)COC(=O)C1=CC=CC=C1C(O)=O,31.61827,17.7812621
"PGP(18:0/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,31.621824,1.468865294
LysoPC(24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C,31.622545,7.596518844
LysoPC(20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C,31.634443,7.828133553
TG(13:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,31.635647,5.057617277
LysoPC(22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@@]([H])(O)COP([O-])(=O)OCC[N+](C)(C)C,31.64773,7.307326794
TG(19:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,31.649635,5.057617277
Farnesyl pyrophosphate,[H]OP(=O)(O[H])OP(=O)(O[H])OC\C=C(/C)CC\C=C(/C)CCC=C(C)C,31.65275,3.081293404
Dimethyldisulfide,CSSC,31.653036,42.97399819
DG(14:0/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,31.665663,6.92435056
TG(15:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,31.670446,4.841376841
DG(17:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,31.674685,6.92435056
TG(18:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,31.674694,5.057617277
"3,4-Dihydroxyphenylglycol",OCC(O)C1=CC(O)=C(O)C=C1,31.685226,4.618545622
3-Hydroxybenzoic acid,OC(=O)C1=CC(O)=CC=C1,31.69067,17.79094487
DG(19:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,31.692156,6.92435056
Homogentisic acid,OC(=O)CC1=C(O)C=CC(O)=C1,31.701458,5.516906083
"3,5-Dihydroxybenzoic acid",OC(=O)C1=CC(O)=CC(O)=C1,31.716743,4.645502195
"3-(2,4-Dihydroxyphenyl)propanoic acid",OC(=O)CCC1=C(O)C=C(O)C=C1,31.718557,4.546247795
1-Pentanol,CCCCCO,31.726341,41.81062579
TG(15:0/i-17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,31.737661,4.802636802
PIP3(18:1(9Z)/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,31.75204,1.887632906
PIP3(18:1(9Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,31.757372,1.887632906
TG(13:0/i-21:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,31.762098,4.802636802
TG(15:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,31.777515,4.802636802
"PS(16:0/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,31.780941,2.757341415
TG(19:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,31.784754,5.057617277
TG(19:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,31.785393,4.841376841
DG(21:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,31.786598,6.92435056
"PS(16:0/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,31.789305,2.757341415
TG(13:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,31.789621,4.81902808
TG(18:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,31.790195,4.81902808
TG(21:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,31.792192,6.375283003
PIP2(18:1(11Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,31.79741,2.25753244
"PS(14:0/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,31.807041,2.889008448
PIP2(18:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,31.80746,1.887632906
Dodecanol,CCCCCCCCCCCCO,31.807867,57.24372268
"PS(14:0/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,31.817736,2.757341415
PIP2(16:1(9Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,31.822895,2.922981419
"PS(18:0/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,31.827755,2.757341415
PS(16:1(9Z)/18:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,31.829609,2.898451127
TG(21:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,31.829641,4.841376841
"PS(18:0/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,31.830435,2.757341415
TG(20:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,31.841446,4.81902808
"PS(18:3(9Z,12Z,15Z)/16:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,31.849058,2.757341415
DG(19:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,31.85641,6.92435056
TG(21:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,31.85758,4.841376841
DG(17:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,31.859903,6.92435056
"PS(20:3(8Z,11Z,14Z)/16:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,31.86026,2.757341415
PIP2(18:1(11Z)/18:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,31.861025,1.887632906
PIP2(18:1(11Z)/20:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC,31.864153,1.887632906
PIP2(16:1(9Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,31.87443,2.25753244
PIP2(16:1(9Z)/18:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,31.87471,2.25753244
TG(17:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,31.874771,4.81902808
4-Hydroxyphenylpyruvic acid,OC(=O)C(=O)CC1=CC=C(O)C=C1,31.880194,12.51221895
Alpha-Pinene-oxide,CC12OC1CC1CC2C1(C)C,31.880938,26.0969609
TG(15:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,31.886404,4.802636802
PIP2(18:1(9Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,31.894035,1.887632906
DG(21:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,31.894085,6.92435056
TG(13:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,31.895262,4.802636802
3-Hydroxyphenylpyruvic acid,OC(=O)C(=O)CC1=CC(O)=CC=C1,31.900526,12.51221895
"PS(18:3(9Z,12Z,15Z)/18:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,31.906551,2.757341415
DG(17:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,31.91599,6.92435056
1-Hexadecanol,CCCCCCCCCCCCCCCCO,31.92124,35.32731533
TG(18:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,31.935793,4.81902808
PIP2(20:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,31.936916,1.887632906
"PS(18:3(9Z,12Z,15Z)/14:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC)C(O)=O,31.940376,2.889008448
PIP2(18:1(9Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,31.944576,2.25753244
"PS(20:3(8Z,11Z,14Z)/18:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,31.946733,2.757341415
Phenylglyoxylic acid,OC(=O)C(=O)C1=CC=CC=C1,31.949852,15.47255516
PIP2(18:1(9Z)/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,31.961168,1.887632906
TG(21:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,31.965517,4.841376841
TG(16:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,31.967402,4.802636802
TG(21:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,31.969698,6.375283003
PIP2(20:1(11Z)/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,31.973,1.887632906
DG(17:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,31.979355,6.749132276
"PS(20:3(8Z,11Z,14Z)/14:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,31.979954,2.757341415
PS(18:1(9Z)/16:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,31.980652,2.898451127
DG(21:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,31.992329,6.92435056
3-Hydroxyphenylacetic acid,OC(=O)CC1=CC(O)=CC=C1,31.994402,18.25006157
TG(19:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,31.994617,5.057617277
Phenylpyruvic acid,OC(=O)C(=O)CC1=CC=CC=C1,32.009674,13.67378086
TG(22:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,32.01404,4.841376841
"LysoPE(0:0/18:2(9Z,12Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,32.02759,1.024428569
PC(O-18:0/14:1(9Z)),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,32.034714,6.075387076
PC(O-20:0/14:1(9Z)),[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,32.034737,6.075387076
Eucalyptol,CC12CCC(CC1)C(C)(C)O2,32.041035,26.17036104
PS(18:1(9Z)/18:1(9Z)),[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,32.042114,2.898451127
"3,4-Dihydroxybenzeneacetic acid",OC(=O)CC1=CC(O)=C(O)C=C1,32.042355,4.878834635
TG(21:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,32.048023,5.057617277
(+)-a-Pinene,CC1=CCC2CC1C2(C)C,32.04906,23.19765538
TG(19:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,32.056816,5.057617277
"3,5-Dihydroxyphenylpropionic acid",OC(=O)CCC1=CC(O)=CC(O)=C1,32.057587,4.84630391
PC(O-18:0/16:1(9Z)),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,32.058575,6.075387076
PIP2(18:1(9Z)/20:1(11Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,32.063923,1.887632906
TG(15:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,32.065212,4.841376841
PC(O-20:0/16:1(9Z)),[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,32.067112,6.075387076
Salicylic acid,OC(=O)C1=CC=CC=C1O,32.067677,19.32364106
TG(20:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.0719,5.057617277
PC(o-18:1(9Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,32.073322,5.712285638
TG(21:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,32.077137,5.969008431
"3,4-Dihydroxyhydrocinnamic acid",OC(=O)CCC1=CC(O)=C(O)C=C1,32.080017,6.365879625
Phenylpropiolic acid,OC(=O)C#CC1=CC=CC=C1,32.080017,47.65990078
"cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA",CC(C)C(=C)C\C([H])=C(/C)C(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C(O)([H])[C@]1([H])OP(O)(O)=O,32.081074,1.276298519
PC(0:0/18:1(9E)),[H][C@@](CO)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCCCC,32.08456,5.990299582
3-(3-Hydroxyphenyl)propanoic acid,OC(=O)CCC1=CC(O)=CC=C1,32.087425,23.66938144
Ortho-Hydroxyphenylacetic acid,OC(=O)CC1=C(O)C=CC=C1,32.087948,17.71444678
"LysoPE(0:0/22:2(13Z,16Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,32.091717,4.278980196
PC(O-14:0/18:1(9Z)),[H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,32.09822,6.075387076
TG(20:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,32.10225,5.969008431
PC(0:0/18:1(9Z)),[H][C@@](CO)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,32.119377,5.990299582
"trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA",CC(C)C(=C)C\C([H])=C(\C)C(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@](O)([H])C1([H])OP(O)(O)=O,32.12168,1.276298519
Decyl alcohol,CCCCCCCCCCO,32.12658,52.77292132
TG(14:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,32.133564,4.81902808
PC(O-18:0/18:1(9Z)),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,32.136658,6.075387076
"LysoPE(0:0/20:2(11Z,14Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,32.14209,1.209342014
PC(O-16:0/18:1(9Z)),[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,32.14644,6.075387076
TG(14:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,32.149254,4.81902808
"3,4-Dihydroxyphenylvaleric acid",OC(=O)CCCCC1=CC(O)=C(O)C=C1,32.149654,8.000707626
Arachidyl alcohol,CCCCCCCCCCCCCCCCCCCCO,32.155052,25.45083165
TG(21:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,32.156982,5.057617277
TG(17:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,32.15945,4.802636802
SM(d18:1/16:1(9Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCC,32.16336,4.657857493
"PS(16:0/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,32.17059,2.505633421
TG(22:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,32.170994,5.969008431
SM(d18:1/26:1(17Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,32.17571,3.937713802
TG(22:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,32.178177,6.375283003
"PS(18:0/20:4(8Z,11Z,14Z,17Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,32.179996,2.505633421
TG(21:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,32.1844,4.841376841
TG(22:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,32.188133,6.375283003
TG(16:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,32.19231,4.802636802
"PIP2(18:1(11Z)/18:2(9Z,12Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,32.20471,1.785373874
DG(19:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,32.209232,6.92435056
TG(22:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,32.21345,4.841376841
"2,5-Furandicarboxylic acid",OC(=O)C1=CC=C(O1)C(O)=O,32.24198,4.711528122
Dimethyl trisulfide,CSSSC,32.260567,28.00929248
PIP(16:1(9Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,32.266434,1.696156338
TG(8:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,32.284435,4.802636802
Tetradecanol,CCCCCCCCCCCCCCO,32.301155,42.32280254
DG(16:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,32.304497,6.92435056
11'-Carboxy-gamma-tocotrienol,C\C(CC\C=C(/C)CCC(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,32.312782,16.8756485
TG(17:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,32.32244,4.802636802
DG(22:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,32.323235,6.92435056
LysoPC(P-18:1(9Z)),CCCCCCCC\C=C/CCCCCC\C=C/OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,32.32758,4.08462733
DG(21:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,32.3295,6.92435056
DG(19:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,32.335365,6.92435056
9'-Carboxy-gamma-tocotrienol,C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,32.342304,14.67066407
PIP(18:1(9Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,32.347466,1.602208428
Pivalic acid,CC(C)(C)C(O)=O,32.34999,34.90430415
Ceramide (d18:1/12:0),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC,32.35058,5.852860585
PC(O-16:0/20:1(11Z)),[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,32.358513,6.075387076
TG(22:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,32.361282,4.841376841
9'-Carboxy-alpha-tocotrienol,C\C(CC\C=C(/C)C(O)=O)=C/CC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,32.364475,13.81618828
"15-Keto-13,14-dihydroprostaglandin A2",CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O,32.368237,15.51049799
TG(14:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,32.37082,5.057617277
TG(21:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,32.37439,5.969008431
Methanol,CO,32.380657,26.94182396
"PG(18:2(9Z,12Z)/16:0)",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,32.386402,2.927662618
TG(21:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,32.394985,5.057617277
PIP(20:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,32.407875,1.681016199
"PG(18:2(9Z,12Z)/18:0)",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,32.417038,2.927662618
TG(19:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,32.419613,4.81902808
PIP(18:1(9Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,32.419956,1.696156338
Alpha-Tocotrienol,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1,32.43529,8.076837659
Benzoquinoneacetic acid,OC(=O)CC1=CC(=O)C=CC1=O,32.449352,14.07789886
TG(22:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,32.45374,5.969008431
"PS(14:0/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,32.459633,2.505633421
TG(19:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,32.462296,4.81902808
Prostaglandin B2,CCCCC[C@@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1,32.472668,13.87757659
DG(22:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,32.47279,6.92435056
3-Hydroxy-11Z-octadecenoylcarnitine,CCCCCC\C=C/CCCCCCC[C@@H](O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,32.481052,7.226996124
Ceramide (d18:1/9Z-18:1),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC,32.483284,6.342960894
TG(17:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,32.490875,4.802636802
PIP(18:1(11Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,32.49287,1.696156338
"PIP2(20:1(11Z)/18:2(9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,32.498447,1.785373874
Ceramide (d18:1/26:1(17Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,32.50006,5.887402594
3-Hydroxy-9Z-octadecenoylcarnitine,CCCCCCCC\C=C/CCCCC[C@@H](O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,32.50172,7.226996124
PIP(18:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,32.50993,1.602208428
PIP(16:1(9Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,32.510624,2.003563009
(S)-Hydroxyoctanoyl-CoA,[H][C@](O)(CCCCC)CC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1([H])OP(O)(O)=O,32.515766,1.427992713
Ceramide (d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,32.516895,5.887402594
TG(19:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,32.54329,4.81902808
TG(17:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.543896,4.802636802
PIP(18:1(9Z)/20:1(11Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,32.560204,1.681016199
"PIP2(18:1(9Z)/18:2(9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,32.56531,1.785373874
DG(13:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,32.567596,7.029240578
Trichloroacetic acid,OC(=O)C(Cl)(Cl)Cl,32.569267,32.90677667
cis-Vaccenoyl CoA,[H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1([H])OP(O)(O)=O,32.579357,2.958872169
DG(13:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,32.595657,6.92435056
PIP(18:1(11Z)/18:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,32.596165,1.602208428
TG(20:0/14:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,32.613518,5.057617277
TG(16:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,32.614845,4.802636802
TG(14:0/i-19:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,32.61529,4.802636802
DG(19:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,32.616985,7.029240578
PIP(18:1(15Z)/20:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC,32.623543,1.681016199
TG(22:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,32.624477,5.057617277
TG(14:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,32.64385,4.802636802
Acetylcholine,CC(=O)OCC[N+](C)(C)C,32.647114,46.04943991
Trimethylaminoacetone,CC(=O)C[N+](C)(C)C,32.648216,45.69549859
PIP(16:1(9Z)/18:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,32.65915,1.696156338
"PG(18:3(9Z,12Z,15Z)/18:0)",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC,32.670708,2.927662618
TG(14:0/i-18:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,32.67196,4.802636802
TG(14:0/i-22:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,32.675087,4.802636802
12-Keto-tetrahydro-leukotriene B4,CCCCCCCCC(=O)CC\C=C\C=C/[C@@H](O)CCCC(O)=O,32.678905,10.66312343
TG(16:0/i-15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.696915,4.802636802
TG(17:0/i-15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.704617,4.802636802
TG(14:0/i-20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,32.704975,4.802636802
TG(14:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,32.717873,4.802636802
TG(20:0/13:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,32.71798,4.81902808
TG(14:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,32.73279,5.057617277
"PC(O-14:0/18:2(9Z,12Z))",[H][C@@](COCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,32.73751,6.075387076
TG(16:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.73775,4.802636802
TG(14:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,32.738213,5.057617277
"PG(18:3(9Z,12Z,15Z)/16:0)",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,32.751736,2.927662618
"PG(16:0/18:2(9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,32.75593,2.927662618
DG(22:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,32.761402,6.92435056
TG(14:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,32.761703,5.057617277
PE(22:0/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,32.76386,4.769897461
"PG(18:3(6Z,9Z,12Z)/18:0)",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,32.768085,2.927662618
"PG(18:0/18:2(9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,32.772465,2.927662618
DG(13:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,32.773594,5.370846763
TG(8:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,32.776733,4.802636802
TG(18:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,32.77773,4.802636802
TG(12:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,32.77957,4.802636802
"PC(O-20:0/18:2(9Z,12Z))",[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,32.78602,5.712285638
TG(15:0/i-15:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.78783,4.802636802
TG(14:0/i-17:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,32.793556,4.802636802
Propionylcholine,CCC(=O)OCC[N+](C)(C)C,32.811268,44.48839128
TG(15:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,32.81293,4.802636802
PE(20:0/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,32.8143,4.769897461
DG(22:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,32.816456,6.92435056
DG(13:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,32.81919,5.588813126
trans-Octadec-2-enoyl-CoA,[H]\C(CCCCCCCCCCCCCCC)=C(\[H])C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1([H])OP(O)(O)=O,32.821915,3.168774769
"PG(18:3(6Z,9Z,12Z)/16:0)",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,32.825188,2.927662618
DG(13:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,32.825706,6.92435056
Butyrylcholine,CCCC(=O)OCC[N+](C)(C)C,32.830864,76.36413574
DG(13:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,32.83241,5.588813126
DG(20:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,32.83631,6.92435056
PE(15:0/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,32.841194,4.997667298
DG(22:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,32.84859,6.92435056
TG(12:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,32.85487,4.802636802
Aminoacetone,CC(=O)CN,32.8572,23.312895
TG(15:0/i-16:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,32.857292,4.802636802
PE(22:0/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,32.857384,4.769897461
PE(18:0/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,32.858818,4.769897461
TG(17:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.861263,4.802636802
DG(16:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,32.865185,6.749132276
"LysoPC(20:2(11Z,14Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,32.865795,7.828133553
TG(17:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.87529,4.802636802
PE(16:0/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,32.879654,5.39778918
PE(20:0/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,32.885468,4.769897461
"PC(O-16:0/20:2(11Z,14Z))",[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,32.888454,6.075387076
PE(14:0/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,32.888588,5.121812969
"PC(O-18:0/20:2(11Z,14Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,32.893085,5.712285638
PE(15:0/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,32.90405,4.997667298
TG(14:0/i-24:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,32.914528,4.81902808
"PC(O-20:0/20:2(11Z,14Z))",[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,32.921806,5.037521943
TG(12:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,32.922794,4.81902808
PE(18:0/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,32.92744,4.769897461
TG(18:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,32.93616,4.81902808
TG(13:0/i-17:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,32.951008,4.802636802
PE(16:0/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,32.95859,5.39778918
PE(14:0/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,32.972214,5.121812969
TG(16:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,32.973087,4.802636802
2-Hydroxyhexadecanoylcarnitine,CCCCCC\C=C/CCCCCCCCCC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,32.97542,10.28632224
PGP(16:1(9Z)/16:1(9Z)),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,32.987713,2.19596643
TG(16:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,33.002743,4.802636802
DG(17:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,33.0052,5.588813126
TG(13:0/i-18:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,33.00952,4.802636802
Isopropylmaleate,CC(C)C(=C\C(O)=O)\C(O)=O,33.018696,18.40471029
PI(18:1(9Z)/16:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,33.019596,1.45279821
PGP(18:1(9Z)/16:1(9Z)),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,33.019978,2.19596643
TG(19:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,33.023613,4.81902808
TG(13:0/i-20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,33.023952,4.802636802
Pyrrolidonecarboxylic acid,OC(=O)C1CCC(=O)N1,33.024014,8.805833757
PC(18:1(9Z)e/2:0),CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O,33.033756,7.120726258
PIP(20:1(11Z)/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,33.03696,1.681016199
TG(13:0/i-19:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,33.046818,4.802636802
TG(18:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,33.055065,4.81902808
PC(P-18:0/14:0),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,33.055676,6.075387076
TG(17:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,33.058277,4.802636802
Pivaloylcarnitine,CC(C)(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,33.064754,29.44246531
PC(P-16:0/15:0),CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,33.071766,6.075387076
PGP(16:1(9Z)/18:1(11Z)),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,33.07211,2.19596643
PGP(16:1(9Z)/18:1(9Z)),[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,33.07379,2.19596643
CDP-DG(18:1(11Z)/16:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCCCCCCCC,33.07382,1.438245084
PIP(18:1(9Z)/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,33.080303,1.602208428
PC(P-16:0/14:0),CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,33.08201,6.075387076
"PIP(18:1(11Z)/18:2(9Z,12Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,33.085415,1.59090627
PC(P-18:0/15:0),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,33.08649,6.075387076
TG(8:0/i-21:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.09309,4.802636802
TG(16:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,33.093597,4.802636802
CDP-DG(18:1(11Z)/18:0),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,33.09967,1.438245084
DL-Acetylcarnitine,CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,33.104103,22.18172848
TG(15:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,33.10427,4.802636802
TG(18:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,33.1065,5.057617277
TG(18:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,33.110153,4.841376841
DG(13:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,33.11758,6.749132276
DG(21:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,33.122402,5.183058232
TG(13:0/i-22:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,33.126144,4.802636802
2-Isopropoxyphenol,CC(C)OC1=CC=CC=C1O,33.12803,38.34221363
"(S)-2,3-Epoxysqualene",CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C=C(/C)CC\C=C(\C)CC[C@]1([H])OC1(C)C,33.129128,12.42778599
TG(15:0/i-15:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,33.132732,4.802636802
Thymol,CC(C)C1=C(O)C=C(C)C=C1,33.153137,31.21887147
SM(d22:1(13Z)/22:1(13Z)),[H][C@@](O)(CCCCCCC\C=C/CCCCCCCC)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,33.157024,3.937713802
DG(18:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,33.164387,6.92435056
PE(24:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,33.16826,3.911914676
PE(24:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,33.174015,3.911914676
Ethylenediaminetetraacetic acid,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O,33.177105,1.438239124
PE(24:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,33.187843,3.911914676
PE(24:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,33.191273,3.911914676
PE(24:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,33.199215,3.911914676
TG(16:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,33.203476,4.802636802
PE(24:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,33.209854,3.911914676
PE(24:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,33.215843,3.911914676
DG(16:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,33.226734,6.92435056
DG(22:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,33.227608,6.92435056
TG(14:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.2309,5.057617277
"PIP2(18:0/16:2(9Z,12Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.23353,2.25753244
"PIP2(18:0/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.262344,1.887632906
"PIP2(16:0/16:2(9Z,12Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.26397,3.102659248
TG(18:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,33.265858,4.841376841
Perillic acid,CC(=C)C1CCC(=CC1)C(O)=O,33.269592,32.78465569
"(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate",OC(=O)C1CCCC=N1,33.270493,13.08468133
DG(20:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,33.271206,6.92435056
TG(18:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,33.273342,5.969008431
2-Ethylacryloylcarnitine,CCC(=C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,33.28224,31.74638748
TG(12:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,33.28345,4.802636802
Benzenebutanoic acid,OC(=O)CCCC1=CC=CC=C1,33.284138,39.81269598
"PIP2(18:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.291275,1.887632906
TG(13:0/i-24:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,33.295494,4.81902808
TG(18:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,33.29872,4.802636802
Propionylcarnitine,CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,33.304337,25.39534867
"PIP2(16:0/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.307747,1.887632906
DG(13:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCC,33.314137,8.644927293
1-Pyrroline-5-carboxylic acid,OC(=O)C1CCC=N1,33.314312,16.51281118
p-Cymene,CC(C)C1=CC=C(C)C=C1,33.320038,47.12747335
"PIP2(16:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.320145,1.887632906
"LysoPC(22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,33.336834,7.828133553
Phenylacetic acid,OC(=O)CC1=CC=CC=C1,33.337246,42.1746105
"PIP2(16:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.338104,2.25753244
Benzoic acid,OC(=O)C1=CC=CC=C1,33.34695,40.93779624
CDP-DG(18:1(9Z)/16:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCCCCCCCC,33.354473,1.438245084
PI(18:1(11Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,33.36376,1.45279821
TG(12:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,33.36489,4.802636802
DG(20:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,33.370758,6.92435056
Methylisocitric acid,CC(O)(C(CC(O)=O)C(O)=O)C(O)=O,33.374554,1.223728154
CDP-DG(18:1(9Z)/18:0),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,33.382538,1.438245084
PI(16:1(9Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC,33.385567,1.459453069
TG(18:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,33.393524,6.375283003
PI(18:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,33.39372,1.372329704
TG(12:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,33.395676,4.81902808
TG(10:0/i-21:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.396362,4.802636802
"3-trans,5-cis-Octadienoyl-CoA",[H]\C(CCC)=C(/[H])\C(\[H])=C(/[H])C(=O)SCCN=C(O)CCN=C(O)C([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])CP(O)(O)=O,33.398552,1.238265913
"trans,cis-Lauro-2,6-dienoyl-CoA",CCCCCC\C([H])=C(\[H])C\C([H])=C(/[H])C(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@](O)([H])C1([H])OP(O)(O)=O,33.399143,2.777218074
TG(18:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,33.399292,6.375283003
TG(18:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,33.40646,4.802636802
TG(18:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,33.409435,5.969008431
TG(18:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,33.41035,4.841376841
"PIP2(20:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.413086,1.887632906
PI(18:1(11Z)/18:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,33.415745,1.372329704
DG(8:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCC,33.41649,8.644927293
TG(12:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,33.420002,5.057617277
TG(13:0/i-21:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.42449,4.802636802
PI(16:1(9Z)/18:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,33.431206,1.45279821
PI(18:1(11Z)/20:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC,33.438282,1.372329704
Alpha-dimorphecolic,CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O,33.440636,14.54785466
TG(18:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,33.442825,5.057617277
Homocitric acid,OC(=O)CC[C@@](O)(CC(O)=O)C(O)=O,33.44922,1.518213842
DG(18:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,33.462357,6.92435056
Trioxilin A3,CCCCC\C=C/C[C@H](O)[C@H](O)\C=C\C(O)C\C=C/CCCC(O)=O,33.466362,4.834623635
OPC8-CoA,[H]\C(CC)=C(/[H])C[C@]1([H])C(=O)CC[C@@]1([H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1([H])OP(O)(O)=O,33.46649,2.237369865
OPC6-CoA,CC\C([H])=C(\[H])C[C@]1([H])C(=O)CC[C@@]1([H])CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@](O)([H])C1([H])OP(O)(O)=O,33.485542,2.383716777
OPC4-CoA,CC\C([H])=C(\[H])C[C@]1([H])C(=O)CC[C@@]1([H])CCCC(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@](O)([H])C1([H])OP(O)(O)=O,33.48577,2.203060128
3-Hydroxy-9-hexadecenoylcarnitine,CCCCCC\C=C/CCCCCC(O)CC(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C,33.48814,9.570904821
TG(10:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.495667,4.802636802
TG(20:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,33.498062,5.057617277
Hydrocinnamic acid,OC(=O)CCC1=CC=CC=C1,33.498962,39.81269598
LysoPC(10:0),[H][C@@](O)(COC(=O)CCCCCCCCC)COP(O)(=O)OCC[N+](C)(C)C,33.500835,7.353961468
LysoPC(18:1(9Z)/0:0),[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,33.501484,5.990299582
PC(18:1(9E)/0:0),[H][C@@](O)(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,33.51065,5.990299582
5-Phenylvaleric acid,OC(=O)CCCCC1=CC=CC=C1,33.51178,39.98856843
TG(13:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,33.511982,4.802636802
4-Hydroxybenzoic acid,OC(=O)C1=CC=C(O)C=C1,33.51579,17.79094487
TG(18:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,33.517838,5.057617277
DG(13:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,33.525394,5.183058232
TG(13:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,33.525703,4.802636802
TG(18:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,33.528687,5.057617277
DG(19:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,33.535652,6.92435056
DG(20:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,33.541138,6.92435056
DG(18:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,33.547512,6.92435056
DG(19:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,33.553898,6.92435056
"PIP(18:0/16:2(9Z,12Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.554146,1.696156338
Troxilin B3,CCCCC\C=C/C[C@@H](O)[C@H](O)C(O)\C=C/C\C=C/CCCC(O)=O,33.556915,6.101919711
"PS(18:2(9Z,12Z)/14:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,33.56286,2.889008448
TG(13:0/i-21:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.56447,4.802636802
"PG(16:0/18:3(6Z,9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,33.567757,2.927662618
Maleic acid,OC(=O)\C=C/C(O)=O,33.58598,17.37316847
"PIP(20:1(11Z)/18:2(9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,33.58653,1.669158041
trans-2-Enoyl-OPC6-CoA,CC\C([H])=C(\[H])C[C@]1([H])C(=O)CC[C@@]1([H])CCC\C([H])=C(/[H])C(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@](O)([H])C1([H])OP(O)(O)=O,33.58814,1.922058314
trans-2-Enoyl-OPC4-CoA,CC\C([H])=C(\[H])C[C@]1([H])C(=O)CC[C@@]1([H])C\C([H])=C(/[H])C(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@](O)([H])C1([H])OP(O)(O)=O,33.5888,1.748991571
DG(22:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,33.592922,6.92435056
Fumaric acid,OC(=O)\C=C\C(O)=O,33.59547,17.37316847
DG(15:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,33.596443,6.92435056
TG(20:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,33.602146,4.81902808
TG(13:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,33.602844,4.802636802
3-Furoic acid,OC(=O)C1=COC=C1,33.60635,20.72667927
trans-2-Enoyl-OPC8-CoA,CC\C([H])=C(\[H])C[C@]1([H])C(=O)CC[C@@]1([H])CCCCC\C([H])=C(/[H])C(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@](O)([H])C1([H])OP(O)(O)=O,33.61164,1.572801918
"PG(18:0/18:3(6Z,9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,33.617,2.927662618
TG(18:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,33.617638,4.81902808
DG(22:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,33.618374,6.92435056
TG(21:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,33.63606,4.81902808
p-Hydroxyphenylacetic acid,OC(=O)CC1=CC=C(O)C=C1,33.642483,18.25006157
Bisdemethoxycurcumin,OC1=CC=C(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(O)C=C2)C=C1,33.648693,19.42759156
PI(20:1(11Z)/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,33.65011,1.372329704
DG(i-13:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,33.65119,5.579292774
TG(13:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,33.652832,4.81902808
"9,12-Hexadecadienoylcarnitine",CCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O,33.65783,10.10402665
"PIP(18:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.658127,1.602208428
TG(18:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,33.658905,4.802636802
Spermic acid 2,OC(=O)CCNCCCCNCCC(O)=O,33.65996,1.191193331
TG(12:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,33.67029,4.81902808
DG(22:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,33.672073,6.92435056
8(R)-Hydroperoxylinoleic acid,CCCCC\C=C/C\C=C/[C@@H](CCCCCCC(O)=O)OO,33.672283,15.38666338
TG(10:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.673286,4.802636802
PI(18:1(9Z)/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,33.681293,1.372329704
"PG(16:0/20:3(8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,33.68821,2.927662618
"PIP(16:0/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.694405,1.602208428
TG(22:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,33.69474,5.969008431
TG(14:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,33.694878,4.81902808
DG(18:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,33.69617,6.92435056
"LysoPC(18:2(9Z,12Z)/0:0)",[H][C@@](O)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,33.70354,7.360478491
TG(13:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.705112,4.81902808
"PIP(18:1(9Z)/18:2(9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,33.707706,1.59090627
DG(22:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,33.71384,6.92435056
1-Pyrroline-2-carboxylic acid,OC(=O)C1=NCCC1,33.71597,16.51281118
TG(14:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.717514,4.81902808
"PIP(16:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.71863,1.681016199
"PIP(16:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.722828,1.696156338
Glutaconic acid,OC(=O)C\C=C\C(O)=O,33.72498,18.65731031
TG(15:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,33.729515,4.802636802
"LysoPC(18:3(9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,33.730743,7.360478491
TG(13:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,33.731266,4.802636802
"PS(14:1(9Z)/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,33.731552,2.889008448
"PG(18:0/20:3(8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,33.731804,2.927662618
Gamma-terpinene,CC(C)C1=CCC(C)=CC1,33.740364,50.20466447
TG(13:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,33.741474,5.057617277
Desaminotyrosine,OC(=O)CCC1=CC=C(O)C=C1,33.74203,23.66938144
DG(18:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,33.752975,6.92435056
TG(15:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,33.75874,4.81902808
DG(20:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,33.76223,6.92435056
"LysoPC(18:3(6Z,9Z,12Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,33.766212,7.360478491
12-Keto-leukotriene B4,CCCCC\C=C/CC(=O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,33.785305,12.10064664
CDP-DG(18:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,33.795788,1.438245084
DG(16:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,33.80198,6.92435056
DG(i-15:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,33.802406,5.90515621
"PIP(20:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,33.806755,1.681016199
DG(21:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,33.80874,6.92435056
TG(10:0/i-21:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.809742,4.802636802
"15-Deoxy-d-12,14-PGJ2",CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O,33.81099,15.16148448
CDP-DG(18:1(11Z)/18:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,33.818745,1.438245084
CDP-DG(18:0/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,33.8356,1.438245084
"PG(16:0/18:3(9Z,12Z,15Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,33.840103,2.927662618
"PS(18:2(9Z,12Z)/18:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,33.8414,2.757341415
TG(13:0/i-21:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,33.84657,4.802636802
"Docosa-4,7,10,13,16-pentaenoyl CoA",CCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)SCCN=C(O)CCN=C(O)[C@@](O)([H])C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@](O)([H])C1([H])OP(O)(O)=O,33.85918,1.666785404
DG(15:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,33.86216,6.92435056
Prostaglandin B1,CCCCC[C@H](O)\C=C\C1=C(CCCCCCC(O)=O)C(=O)CC1,33.863003,13.19570839
TG(16:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,33.868237,5.057617277
"PG(18:0/18:3(9Z,12Z,15Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,33.870956,2.927662618
Alpha-Linolenoyl-CoA,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@]1([H])OP(O)(O)=O,33.88161,2.701092884
TG(18:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,33.882378,4.81902808
3-Mercapto-2-pentanone,CCC(S)C(C)=O,33.889797,69.80121136
"LysoPC(18:4(6Z,9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,33.890522,6.926138699
TG(12:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,33.89528,4.802636802
Suberylcarnitine,[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)CCCCCCC(O)=O,33.89575,5.671778321
Tetracosahexaenoyl CoA,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@]1([H])OP(O)(O)=O,33.90097,2.011962421
CDP-DG(16:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,33.902145,1.438245084
2-Furoic acid,OC(=O)C1=CC=CO1,33.90544,20.72667927
Tetracosatetraenoyl CoA,[H]\C(CCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1([H])OP(O)(O)=O,33.906193,1.318003889
"LysoPC(22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,33.90824,6.892502308
"PS(16:1(9Z)/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,33.91079,2.757341415
CDP-DG(18:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,33.912243,1.438245084
Arachidonyl-CoA,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1([H])OP(O)(O)=O,33.917366,2.205200866
Stearidonoyl CoA,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1([H])OP(O)(O)=O,33.91864,2.382329293
Resolvin D2,CC\C=C/C[C@H](O)C(O)\C=C\C=C\C=C/C=C/[C@H](O)C\C=C/CCC(O)=O,33.92043,3.309839591
TG(13:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,33.922527,4.802636802
TG(22:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,33.923298,4.81902808
"LysoPC(20:4(8Z,11Z,14Z,17Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,33.92382,6.750816852
"PG(16:0/20:3(5Z,8Z,11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,33.924763,2.927662618
"PS(18:2(9Z,12Z)/16:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,33.927086,2.757341415
TG(15:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,33.927654,4.802636802
4-Hydroxycyclohexylcarboxylic acid,OC1CCC(CC1)C(O)=O,33.928883,11.92694828
DG(17:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,33.934307,7.029240578
DG(18:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,33.934364,6.92435056
TG(14:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,33.936775,4.841376841
TG(19:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,33.940254,4.802636802
D-1-Piperideine-2-carboxylic acid,OC(=O)C1=NCCCC1,33.940727,13.08468133
"PG(18:0/20:3(5Z,8Z,11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,33.956753,2.927662618
Neuroprotectin D1,CC\C=C/C[C@H](O)\C=C/C=C/C=C/[C@H](O)C\C=C/C\C=C/CCC(O)=O,33.956818,3.888235241
"PS(18:1(9Z)/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,33.956944,2.757341415
Resolvin D1,CC\C=C/C[C@H](O)\C=C\C=C/C=C/C=C/C(O)[C@@H](O)C\C=C/CCC(O)=O,33.958054,3.309839591
5-HETE,CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O,33.971825,11.02440134
DG(21:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,33.973583,6.92435056
TG(14:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,33.974262,5.057617277
8-HETE,CCCCC\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CCCC(O)=O,33.975464,11.02440134
TG(20:0/14:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,33.979477,4.841376841
5(S)-Hydroperoxyeicosatetraenoic acid,CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC(O)=O)OO,33.98089,11.2220414
"LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,33.985565,6.87180534
DG(8:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,33.992012,5.183058232
TG(13:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,33.992268,4.802636802
"LysoPC(22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,33.993504,8.319933712
"LPA(0:0/18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(CO)COP(O)(=O)O,33.997368,2.097035572
TG(13:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,33.997776,4.802636802
TG(14:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,34.001156,5.057617277
CDP-DG(18:1(9Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,34.003017,1.438245084
1-Furan-2-ylpropan-2-one,CC(=O)CC1=CC=CO1,34.00304,64.17642236
TG(13:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,34.008484,4.81902808
DG(19:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,34.008984,5.4581929
3-Mercaptolactate-cysteine disulfide,N[C@@H](CSSCC(O)C(O)=O)C(O)=O,34.01212,1.964451745
"LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@](O)([H])COP([O-])(=O)OCC[N+](C)(C)C,34.012184,8.319933712
DG(i-18:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,34.01438,5.90515621
Linoleyl carnitine,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,34.020138,10.04720628
DG(i-19:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,34.02309,5.90515621
TG(17:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,34.03118,4.802636802
TG(17:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,34.03147,4.81902808
DG(8:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,34.038105,5.588813126
TG(15:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,34.03828,4.81902808
DG(22:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,34.039497,6.92435056
DG(13:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,34.042088,5.721065402
TG(16:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,34.043488,4.81902808
"CDP-DG(18:1(11Z)/18:2(9Z,12Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.04504,1.438245084
DG(20:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.045967,6.92435056
"PI(18:1(11Z)/18:2(9Z,12Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.047382,1.362648979
TG(14:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,34.058067,4.802636802
TG(20:0/20:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.059513,5.057617277
Ethyl furoate,CCOC(=O)C1=CC=CO1,34.0631,49.08136725
TG(13:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,34.06453,4.802636802
TG(13:0/i-15:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,34.07059,4.802636802
TG(13:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.070675,4.81902808
TG(19:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,34.079,4.802636802
DG(i-19:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.082348,5.90515621
"PGP(18:2(9Z,12Z)/18:1(9Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,34.08402,2.19596643
"PGP(18:2(9Z,12Z)/18:1(11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,34.0874,2.19596643
"CDP-DG(18:1(9Z)/18:2(9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.08989,1.438245084
DG(i-22:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.095867,5.90515621
DG(i-21:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.10484,5.90515621
"LysoPC(20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,34.10664,5.943308026
TG(13:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.10848,5.057617277
DG(8:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,34.12885,5.4581929
DG(i-17:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,34.131626,5.90515621
TG(15:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,34.133335,4.802636802
Tiglylglycine,C\C=C(/C)C(=O)NCC(O)=O,34.135536,8.694900572
"PGP(18:2(9Z,12Z)/16:1(9Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,34.137894,2.19596643
TG(15:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,34.14102,4.81902808
DG(i-21:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.145866,5.90515621
DG(i-21:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.146755,5.90515621
"LysoPC(20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,34.149918,5.943308026
DG(15:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,34.155327,6.92435056
"PGP(16:1(9Z)/18:2(9Z,12Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,34.155975,2.19596643
TG(18:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,34.163692,4.802636802
TG(13:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.170444,5.057617277
TG(13:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,34.18067,4.802636802
"PS(18:0/18:2(9Z,12Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,34.18079,2.898451127
DG(i-21:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.186626,4.955971614
DG(i-18:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.189297,5.90515621
DG(i-21:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.19309,4.955971614
TG(13:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,34.20467,4.802636802
DG(i-21:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,34.204674,5.90515621
DG(i-21:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,34.206207,5.90515621
TG(13:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.214085,4.841376841
TG(20:0/18:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,34.2159,5.057617277
Farnesol,CC(C)=CCC\C(C)=C\CC\C(C)=C\CO,34.222404,40.84991515
"PI(20:1(11Z)/18:2(9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.222412,1.362648979
TG(13:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.224125,5.057617277
TG(13:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,34.22504,4.802636802
TG(20:0/16:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,34.22658,4.81902808
TG(15:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,34.230446,4.802636802
DG(i-24:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.233646,4.955971614
TG(13:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,34.241875,4.81902808
"CDP-DG(18:1(11Z)/22:3(10Z,13Z,16Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.24563,1.268513594
"CDP-DG(18:1(9Z)/22:3(10Z,13Z,16Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.264336,1.268513594
SM(d18:0/22:1(13Z)(OH)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NCCCCCCCC\C=C/CCCCCCCCCC(O)CC=O,34.26441,4.59578149
"PI(18:1(9Z)/18:2(9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.270447,1.362648979
DG(15:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,34.27098,7.029240578
SM(d18:0/24:1(15Z)(OH)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NCCCCCCCC\C=C/CCCCCCCCCCCC(O)CC=O,34.27127,4.706613719
DG(i-20:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.27376,5.90515621
DG(24:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,34.28743,6.92435056
DG(15:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,34.29339,6.749132276
DG(18:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.29511,6.92435056
PC(17:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,34.29529,5.107371882
TG(20:0/17:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,34.304333,4.81902808
DG(i-17:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.307106,5.90515621
TG(16:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,34.307297,4.81902808
SM(d18:0/16:1(9Z)(OH)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NCCCCCC\C=C/CCCCCC(O)CC=O,34.310535,4.59578149
2-Methylbutyroylcarnitine,CCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.312763,31.59131408
TG(22:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.31432,4.841376841
TG(18:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,34.314415,5.969008431
"CDP-DG(18:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,34.314842,1.438245084
TG(13:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,34.318466,4.802636802
SM(d18:0/14:1(9Z)(OH)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NCCCC\C=C/CCCCCC(O)CC=O,34.319355,5.200752616
TG(16:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,34.319736,5.057617277
"LysoPC(20:4(5Z,8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,34.321247,6.750816852
TG(20:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,34.321247,4.841376841
DG(i-21:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,34.322166,5.90515621
13-L-Hydroperoxylinoleic acid,CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC(O)=O,34.325157,15.38666338
PC(17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,34.328552,5.107371882
DG(i-24:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.333885,4.620983452
TG(15:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,34.33588,4.802636802
TG(22:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,34.33749,5.057617277
DG(20:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,34.34069,6.92435056
DG(i-21:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,34.341187,5.579292774
PC(17:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,34.3482,5.107371882
"LPA(18:2(9Z,12Z)/0:0)",CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP(O)(=O)O,34.3501,2.207166143
"CDP-DG(16:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,34.352364,1.438245084
TG(16:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,34.354156,4.802636802
PC(17:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,34.359528,5.107371882
DG(20:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,34.35957,6.92435056
TG(18:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,34.361362,4.802636802
TG(13:0/i-24:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.365623,4.802636802
PC(17:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,34.371117,5.107371882
TG(12:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.374397,4.802636802
DG(i-19:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.378967,5.90515621
DG(20:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,34.38008,6.749132276
TG(16:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,34.38089,4.802636802
TG(13:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.385635,5.057617277
TG(17:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,34.38979,4.802636802
DG(i-22:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.399677,4.620983452
DG(21:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,34.40189,6.92435056
TG(16:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,34.406513,4.802636802
TG(17:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,34.410255,5.057617277
DG(i-13:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.41818,5.579292774
TG(13:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,34.425205,4.802636802
TG(17:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,34.426334,4.81902808
DG(19:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,34.428833,6.92435056
DG(i-24:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,34.435886,5.90515621
TG(16:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,34.43717,4.802636802
DG(22:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,34.44043,6.92435056
TG(13:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.442924,4.81902808
DG(i-13:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,34.445274,4.327557236
N-Acetylglucosaminyl-diphosphodolichol,OC[C@H]1O[C@@H](OP(=O)(O)OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O,34.44666,1.309656259
3-Hydroxybutyrylcarnitine,CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.446697,11.1084789
TG(16:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,34.448822,4.802636802
TG(15:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,34.44897,4.802636802
13S-hydroxyoctadecadienoic acid,CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(O)=O,34.45179,14.54785466
Prostaglandin A2,CCCCC[C@H](O)\C=C\C1C=CC(=O)C1C\C=C\CCCC(O)=O,34.45196,13.12562972
DG(i-20:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.453194,5.90515621
DG(i-24:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.454327,5.90515621
DG(i-19:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.456432,5.90515621
"SM(d18:0/22:2(13Z,16Z)(OH))",CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NCCCCC\C=C/C\C=C/CCCCCCCCCC(O)CC=O,34.463783,4.349402338
"PIP(18:1(11Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,34.46493,1.33232642
TG(15:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,34.465595,4.802636802
DG(i-21:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.467056,5.90515621
DG(i-24:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.46919,4.620983452
"PIP(18:1(11Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.47764,1.33232642
DG(16:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,34.485706,6.92435056
TG(13:0/i-22:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.488155,4.802636802
DG(i-22:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.492275,5.90515621
DG(i-21:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,34.493717,5.90515621
Isovalerylcarnitine,CC(C)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.50904,37.36586869
DG(18:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,34.50992,6.92435056
TG(20:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,34.513847,4.81902808
TG(16:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.51388,4.81902808
TG(13:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,34.51492,4.802636802
TG(13:0/i-13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,34.51595,5.722453445
Hexanoylcarnitine,CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.52561,38.37964237
DG(i-19:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.531013,5.90515621
Arachidyl carnitine,CCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.5347,7.633364201
DG(16:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.53498,6.92435056
"SM(d16:0/18:2(9Z,11E))",CCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/C=C\CCCCCC,34.539963,4.657857493
TG(13:0/i-19:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.543354,4.802636802
"PIP(18:1(9Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,34.558216,1.33232642
TG(13:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,34.558975,4.802636802
PC(18:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,34.560555,5.107371882
DG(i-22:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.56118,5.90515621
TG(15:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,34.56625,4.802636802
"15H-11,12-EETA",CCCCC[C@H](O)\C=C\C1OC1C\C=C/C\C=C/CCCC(O)=O,34.571426,11.75725833
LysoPE(14:1(9Z)/0:0),[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCC)COP(O)(=O)OCCN,34.572952,1.302563399
DG(i-15:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.574062,5.90515621
"PIP(18:1(9Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.574142,1.33232642
TG(13:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.575016,4.802636802
beta-Damascenone,C\C=C\C(=O)C1=C(C)C=CCC1(C)C,34.581333,20.8907038
TG(16:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,34.582188,5.057617277
DG(i-15:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,34.58406,5.90515621
DG(i-18:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,34.587296,5.90515621
PC(18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,34.588646,5.107371882
TG(18:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,34.591328,4.802636802
DG(18:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,34.59155,6.92435056
DG(17:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,34.593372,6.749132276
DG(i-18:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.594284,5.90515621
DG(i-19:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,34.594368,5.90515621
TG(19:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,34.595974,5.057617277
PC(18:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,34.61049,5.107371882
TG(16:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,34.61122,6.375283003
DG(22:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,34.619595,6.92435056
TG(16:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,34.620277,4.802636802
"SM(d20:0/18:3(8E,10E,12Z))",CCCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCC\C=C/C=C\C=C/CCCCC,34.63106,3.894233704
TG(13:0/i-24:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.631153,4.802636802
TG(20:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,34.635517,5.057617277
Hexacosanoyl carnitine,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.635864,7.613268495
DG(i-22:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.63639,4.620983452
TG(16:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,34.63995,4.841376841
DG(15:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,34.647446,5.721065402
DG(20:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,34.65229,6.92435056
TG(13:0/i-22:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.65555,4.802636802
PC(18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,34.66126,5.107371882
TG(15:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,34.664337,4.802636802
TG(16:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.666225,5.057617277
TG(12:0/i-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,34.676044,4.81902808
DG(19:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,34.676453,7.029240578
Delta-Hexanolactone,CC1CCCC(=O)O1,34.678036,78.19057703
DG(i-20:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C,34.68003,5.90515621
DG(i-15:0/0:0/i-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,34.68793,5.663807318
TG(19:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,34.688,4.81902808
TG(16:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.68859,6.375283003
TG(20:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,34.694122,5.057617277
LysoPE(16:1(9Z)/0:0),[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OCCN,34.703114,1.157644764
DG(i-19:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,34.703423,5.90515621
DG(i-24:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,34.705093,5.90515621
TG(13:0/i-18:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,34.70619,4.802636802
DG(i-13:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,34.707455,5.90515621
TG(13:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,34.709923,4.802636802
TG(15:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.71615,4.802636802
DG(19:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,34.716343,6.92435056
TG(15:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,34.7206,5.057617277
TG(20:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,34.72468,4.841376841
"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid",NC1=C(C=CC=C1O)C(=O)CC(=O)C(O)=O,34.727676,2.837352268
"PI(18:1(9Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.728333,1.087670121
TG(15:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,34.729908,4.802636802
TG(15:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,34.73002,5.057617277
TG(18:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,34.734074,4.81902808
TG(13:0/i-19:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.734203,4.802636802
TG(15:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.735935,4.841376841
DG(i-24:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,34.739185,5.90515621
TG(18:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,34.739765,4.802636802
DG(22:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,34.741844,6.92435056
"PI(18:1(11Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.74566,1.087670121
DG(i-19:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,34.746292,5.90515621
DG(i-16:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,34.754765,5.90515621
"PI(18:1(11Z)/18:3(6Z,9Z,12Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.755646,1.151447278
TG(15:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.75671,5.057617277
"PI(18:1(9Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,34.75871,1.087670121
"PI(18:1(9Z)/18:3(6Z,9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,34.75915,1.151447278
PC(18:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,34.759563,4.313416407
Acetaldehyde,CC=O,34.759804,40.98907411
TG(22:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,34.762573,5.057617277
TG(16:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.766132,4.802636802
DG(i-17:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,34.77345,5.90515621
DG(15:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.77348,6.92435056
Methyl butyrate,CCCC(=O)OC,34.780666,80.96587658
DG(8:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,34.78075,6.529863924
TG(22:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,34.782196,5.057617277
DG(21:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,34.785843,6.92435056
"PS(18:3(9Z,12Z,15Z)/14:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,34.786644,2.625281177
TG(17:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.78691,5.057617277
"PI(18:1(11Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,34.79521,1.087670121
DG(i-18:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,34.797382,5.90515621
DG(i-18:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,34.7979,5.90515621
DG(i-13:0/0:0/i-15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,34.802166,4.39793691
TG(13:0/i-18:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,34.803955,4.802636802
DG(i-13:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,34.80436,4.609746113
TG(13:0/i-17:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,34.805344,4.802636802
TG(15:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,34.807613,4.841376841
TG(20:0/15:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.808094,4.841376841
2-Furoylglycine,OC(=O)CNC(=O)C1=CC=CO1,34.809723,6.652671844
DG(i-13:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.81129,5.90515621
"PGP(18:3(6Z,9Z,12Z)/16:1(9Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,34.81378,1.910258457
"PGP(18:3(6Z,9Z,12Z)/18:1(9Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,34.81509,1.910258457
Decanoylcarnitine,CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.8166,45.17608583
"PGP(18:3(6Z,9Z,12Z)/18:1(11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,34.81716,1.910258457
"PGP(16:1(9Z)/18:3(6Z,9Z,12Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,34.8257,1.910258457
Lipoamide,NC(=O)CCCCC1CCSS1,34.834217,22.66272604
Beta-Cryptoxanthin,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,34.83844,4.170339182
DG(i-22:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,34.841583,5.90515621
DG(18:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,34.844696,5.588813126
DG(i-18:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,34.849174,5.90515621
DG(i-15:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,34.852364,4.609746113
DG(19:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,34.85982,6.92435056
TG(19:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.86299,5.057617277
DG(i-18:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,34.866604,5.90515621
N-Acryloylglycine,OC(=O)CNC(=O)C=C,34.87128,8.997283876
TG(16:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,34.872196,4.841376841
TG(20:0/15:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.87609,4.802636802
DG(16:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,34.879223,7.029240578
"trans-4,5-epoxy-2(E)-decenal",CCCCCC1OC1\C=C\C=O,34.883934,69.024086
"PGP(16:1(9Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,34.883987,1.910258457
PC(16:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,34.887867,5.107371882
DG(i-15:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,34.888554,5.579292774
"PGP(16:1(9Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,34.89529,1.910258457
TG(17:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,34.89668,5.057617277
TG(18:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,34.897495,5.057617277
DG(17:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,34.90154,5.588813126
Propanal,CCC=O,34.901585,42.59077311
PC(19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,34.905556,5.107371882
"PGP(18:3(9Z,12Z,15Z)/16:1(9Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,34.90718,1.910258457
TG(14:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,34.910206,5.057617277
TG(17:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,34.91172,4.841376841
TG(17:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.91512,4.802636802
"PGP(18:3(9Z,12Z,15Z)/18:1(9Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,34.915504,1.910258457
DG(i-15:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,34.917095,5.90515621
TG(15:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,34.91898,6.375283003
"PS(20:3(8Z,11Z,14Z)/14:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,34.92724,2.505633421
"PGP(18:3(9Z,12Z,15Z)/18:1(11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,34.92882,1.910258457
O-Tetradecanoylcarnitine,CCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.929398,12.58066446
TG(13:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,34.930656,4.802636802
TG(17:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.933605,6.375283003
Ethyl propionate,CCOC(=O)CC,34.937725,90.28851986
TG(17:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,34.939472,4.81902808
Phosphoglycolic acid,OC(=O)COP(O)(O)=O,34.94015,1.98629424
DG(i-17:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,34.94843,5.90515621
2-Octenoic acid,CCCCC\C=C/C(O)=O,34.953335,40.79236984
DG(i-17:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,34.960835,5.90515621
PC(16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,34.961792,5.107371882
DG(16:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,34.9621,5.183058232
O-Dodecanoylcarnitine,CCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,34.963516,25.93895793
DG(i-13:0/0:0/i-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,34.967537,4.503183812
Vinylacetylglycine,OC(=O)CNC(=O)CC=C,34.969475,11.51505634
DG(i-24:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,34.972584,5.90515621
PC(16:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,34.974995,5.107371882
DG(i-13:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,34.97505,5.663807318
trans-2-Octenoic acid,CCCCC\C=C\C(O)=O,34.97683,40.79236984
TG(15:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,34.98433,4.802636802
DG(8:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,34.996235,5.370846763
TG(17:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,34.998535,4.841376841
DG(i-14:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,35.009216,5.90515621
DG(i-17:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,35.011883,5.90515621
Dihydroxyacetone phosphate,OCC(=O)COP(O)(O)=O,35.014114,3.289214522
TG(13:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.015015,4.802636802
"PGP(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,35.0166,1.740502194
PC(16:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,35.01794,5.107371882
DG(i-15:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,35.02746,5.90515621
"PGP(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,35.03433,1.468865294
trans-Dec-2-enoic acid,CCCCCCC\C=C\C(O)=O,35.03437,37.04639673
DG(20:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,35.035854,6.92435056
DG(22:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,35.036575,6.92435056
TG(14:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,35.037457,4.802636802
DG(i-24:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,35.03773,5.90515621
TG(14:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,35.03904,4.841376841
2-Piperidinone,O=C1CCCCN1,35.04102,38.05935681
TG(13:0/i-17:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,35.041862,4.802636802
Isovalerylsarcosine,CC(C)CC(=O)N(C)CC(O)=O,35.047512,11.3155365
L-prolyl-L-glycine,OC(=O)CNC(=O)C1CCCN1,35.050938,5.311332271
DG(22:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,35.05154,6.92435056
DG(i-17:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,35.05292,5.90515621
DG(21:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,35.05378,6.92435056
2-Pyrrolidinone,O=C1CCCN1,35.057575,43.82305145
trans-Tetra-dec-2-enoic acid,CCCCCCCCCCC\C=C\C(O)=O,35.057865,37.67159283
DG(18:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,35.057873,6.749132276
DG(i-15:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,35.059708,4.503183812
trans-Dodec-2-enoic acid,CCCCCCCCC\C=C\C(O)=O,35.069168,41.95164144
"PGP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,35.07503,1.740502194
TG(12:0/i-21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,35.078545,4.802636802
"PGP(18:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,35.08655,1.468865294
DG(17:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,35.086994,7.029240578
TG(13:0/i-24:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,35.090202,4.81902808
DG(i-19:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,35.09413,5.90515621
PC(19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,35.09494,5.107371882
TG(15:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.095783,4.802636802
Nonanoylcarnitine,CCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,35.096905,40.22227824
TG(12:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,35.10546,4.802636802
DG(8:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,35.107788,5.721065402
Butanal,CCCC=O,35.109474,50.70588589
TG(22:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,35.10952,5.057617277
DG(i-22:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,35.112423,5.90515621
TG(14:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.112453,4.841376841
TG(12:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,35.12545,4.802636802
PC(19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,35.13118,5.107371882
PC(17:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,35.13405,5.112182721
TG(14:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.137714,6.375283003
DG(i-12:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,35.138943,5.438110232
TG(16:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,35.14102,4.81902808
16Z-Octadecenoic acid,C\C=C/CCCCCCCCCCCCCCC(O)=O,35.141197,32.10213482
TG(22:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,35.14487,6.375283003
PC(19:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,35.14491,5.107371882
DG(22:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,35.146175,6.92435056
TG(17:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,35.150196,4.802636802
TG(20:0/19:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.15331,5.057617277
Isobutyrylglycine,CC(C)C(=O)NCC(O)=O,35.153408,10.91728956
TG(16:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.153435,4.841376841
DG(i-17:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,35.15378,5.90515621
DG(i-18:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,35.15484,5.90515621
Hexahydrohippuric Acid,OC(=O)CNC(=O)C1CCCCC1,35.1568,11.64958552
Heptadecanoyl carnitine,CCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,35.158417,11.23217121
TG(19:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,35.16108,5.057617277
PC(16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,35.16359,5.107371882
N-(Cyclohex-1-en-1-ylcarbonyl)glycine,OC(=O)CNC(=O)C1=CCCCC1,35.16521,8.399540186
LPA(18:0e/0:0),CCCCCCCCCCCCCCCCCCOCC(O)COP(O)(O)=O,35.16674,4.899314791
TG(19:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,35.169792,4.841376841
DG(21:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,35.17874,6.92435056
DG(20:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,35.180847,6.749132276
PG(16:1(9Z)/18:1(11Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,35.18878,2.927662618
PG(18:1(11Z)/16:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,35.189632,2.927662618
PG(18:1(11Z)/18:1(11Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,35.193424,2.927662618
TG(19:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,35.194717,4.802636802
PG(18:1(9Z)/18:1(11Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,35.194786,2.927662618
TG(13:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.195065,4.802636802
"PGP(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,35.19618,1.330885664
PG(16:1(9Z)/16:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,35.197147,3.067462891
N1-Acetylspermine,CC(=O)NCCCNCCCCNCCCN,35.197575,2.396292426
"PGP(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,35.197895,1.577005908
PG(18:1(9Z)/16:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,35.198048,2.927662618
PC(16:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.19815,5.107371882
TG(17:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,35.19844,4.802636802
PG(16:1(9Z)/18:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,35.199615,2.927662618
PG(18:1(11Z)/18:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,35.200306,2.927662618
DG(i-22:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,35.200783,5.90515621
TG(17:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,35.20109,4.841376841
PG(18:1(9Z)/18:1(9Z)),[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,35.201294,2.927662618
DHAP(18:0e),CCCCCCCCCCCCCCCCCCOCC(=O)COP(O)(O)=O,35.202232,4.109537974
DG(i-19:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,35.211548,5.90515621
Acetamidopropanal,CC(=O)NCCC=O,35.21253,45.65336704
TG(17:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,35.220684,5.057617277
"PIP2(18:1(9Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,35.221214,1.425090339
DG(21:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,35.22653,6.92435056
TG(20:0/16:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,35.22999,6.375283003
TG(17:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,35.230415,5.969008431
2-Methylbutyrylglycine,CCC(C)C(=O)NCC(O)=O,35.230694,11.11810803
Isovalerylglycine,CC(C)CC(=O)NCC(O)=O,35.232594,14.12185431
"PI(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,35.234848,1.000629738
DG(16:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,35.240845,5.588813126
TG(20:0/17:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,35.24222,6.375283003
"PIP2(18:1(9Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,35.247417,1.425090339
TG(14:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,35.24867,4.802636802
TG(19:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,35.24992,4.841376841
PC(19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,35.24999,5.107371882
TG(15:0/i-13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.2537,4.802636802
TG(20:0/12:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,35.26112,5.057617277
DG(i-13:0/0:0/i-14:0),[H][C@](O)(COC(=O)CCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,35.26234,4.39793691
DG(i-13:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,35.26512,5.90515621
Dolichyl beta-D-mannosyl phosphate,OC[C@H]1O[C@@H](OP(=O)(O)OCCC(C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H](O)[C@@H](O)[C@@H]1O,35.267418,1.912149228
"PI(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,35.273834,1.00317644
LysoPC(16:1(9Z)),CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,35.275013,5.040736124
TG(20:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,35.276474,5.969008431
DG(i-17:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,35.28016,5.90515621
TG(22:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,35.280273,4.841376841
PC(17:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,35.2841,5.107371882
TG(13:0/i-22:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,35.284134,4.802636802
DG(17:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,35.291965,6.529863924
DG(i-20:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,35.29358,5.90515621
LPA(18:1(9Z)/0:0),CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP(O)(=O)O,35.298172,1.681397669
DG(15:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,35.30357,5.588813126
DG(i-13:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,35.312122,4.503183812
DG(i-19:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,35.316257,5.579292774
TG(17:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,35.318813,4.802636802
TG(22:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.319996,6.375283003
DG(20:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,35.320953,6.92435056
TG(15:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.321236,4.841376841
TG(19:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,35.328415,4.802636802
LPA(0:0/18:1(9Z)),CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(CO)COP(O)(=O)O,35.328903,1.747892983
TG(16:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.330566,5.969008431
TG(16:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.331917,4.802636802
TG(15:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,35.337875,4.802636802
DG(i-20:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,35.33799,5.90515621
DG(i-20:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C,35.340244,5.90515621
DG(8:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCC,35.341347,7.828702778
PC(15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,35.342186,5.107371882
DG(i-17:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,35.348763,5.663807318
cis-4-Hydroxycyclohexylacetic acid,OC1CCC(CC(O)=O)CC1,35.349266,13.8726145
TG(17:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,35.351936,4.802636802
PC(16:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,35.3532,4.313416407
"PS(20:4(5Z,8Z,11Z,14Z)/16:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,35.356846,2.505633421
DG(i-18:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,35.35892,5.90515621
Caproylcholine,CCCCCC(=O)OCC[N+](C)(C)C,35.363136,86.08747125
TG(13:0/i-19:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,35.36354,4.802636802
DG(i-22:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,35.365196,5.90515621
Dihydrolipoate,OC(=O)CCCCC(S)CCS,35.370247,34.27969813
DG(22:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,35.383255,5.588813126
TG(13:0/i-20:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,35.38957,4.802636802
PC(19:0/11:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC,35.39102,5.112182721
DG(21:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,35.391563,5.588813126
DG(i-15:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,35.394054,5.438110232
N-Acetylcadaverine,CC(=O)NCCCCCN,35.394524,12.86803782
"PIP2(18:1(11Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,35.398598,1.425090339
"PS(20:4(5Z,8Z,11Z,14Z)/18:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,35.401405,2.505633421
PC(15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,35.402298,5.107371882
DG(i-17:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,35.402542,5.579292774
"PS(18:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,35.403084,2.505633421
Decanoylcholine,CCCCCCCCCC(=O)OCC[N+](C)(C)C,35.40463,65.83218575
DG(i-18:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,35.408848,5.90515621
"PG(18:2(9Z,12Z)/18:1(11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,35.40963,2.927662618
TG(15:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.419403,6.375283003
TG(15:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,35.422684,4.802636802
TG(8:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.430725,5.722453445
TG(19:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,35.43086,4.841376841
"PIP2(18:1(11Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,35.432205,1.425090339
"PG(18:1(9Z)/18:2(9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,35.43642,2.927662618
TG(22:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.44028,4.841376841
N8-Acetylspermidine,CC(=O)NCCCCNCCCN,35.442287,7.175758481
"PG(18:1(11Z)/18:2(9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,35.443783,2.927662618
DG(i-15:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,35.444134,5.90515621
"PG(18:2(9Z,12Z)/18:1(9Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,35.44426,2.927662618
SM(d18:1/14:1(9Z)(OH)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCC\C=C/CCCC,35.44917,4.697284102
PC(15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,35.4499,5.107371882
PC(18:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,35.452667,5.107371882
"PIP2(18:1(9Z)/18:3(6Z,9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,35.454018,1.425090339
TG(19:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.46486,4.802636802
"PS(14:1(9Z)/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,35.465916,2.625281177
DG(21:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,35.466038,6.92435056
PC(17:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,35.471382,5.107371882
PC(20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,35.47176,5.107371882
DG(i-20:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,35.47487,5.90515621
Chenodeoxycholoyl-CoA,[H][C@@](C)(CCC(=O)SCCN=C(O)CCN=C(O)C([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])OC([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C,35.475445,1.362268347
"PG(18:2(9Z,12Z)/16:1(9Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,35.475906,2.927662618
DG(i-15:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,35.477287,5.579292774
DG(i-17:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,35.477764,5.90515621
TG(22:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,35.4781,6.375283003
SM(d18:1/16:1(9Z)(OH)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCC\C=C/CCCCCC,35.47976,4.150878266
SM(d18:1/14:0),CCCCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC,35.4801,4.657857493
PC(15:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,35.4837,5.107371882
"PG(16:1(9Z)/18:2(9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,35.486744,2.927662618
TG(13:0/i-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,35.488426,4.802636802
TG(13:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,35.48845,4.802636802
Choloyl-CoA,[H]C(C)(CCC(=O)SCCN=C(O)CCN=C(O)C([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O)C1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)CC4([H])C[C@]([H])(O)CCC4(C)[C@@]3([H])C[C@]([H])(O)C12C,35.488518,1.377182454
TG(12:0/i-21:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,35.49008,4.802636802
TG(19:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,35.490395,4.81902808
TG(17:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.49757,6.375283003
TG(14:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.49832,4.802636802
Heptanoylcholine,CCCCCCC(=O)OCC[N+](C)(C)C,35.50391,73.03926945
TG(14:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,35.505245,4.802636802
N-Acetylputrescine,CC(=O)NCCCCN,35.50674,11.96696386
TG(17:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.507572,5.969008431
DG(i-12:0/0:0/i-13:0),[H][C@](O)(COC(=O)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,35.51258,6.668579578
DG(15:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,35.515453,5.588813126
TG(13:0/i-20:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,35.515965,4.802636802
Capryloylcholine,CCCCCCCC(=O)OCC[N+](C)(C)C,35.518837,75.67057014
TG(20:0/20:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,35.52106,5.057617277
PC(20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,35.52236,5.107371882
TG(19:0/20:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,35.526382,5.969008431
TG(17:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.545673,4.802636802
"PG(16:0/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,35.55066,2.546756715
N1-Acetylspermidine,CC(=O)NCCCNCCCCN,35.55222,7.175758481
Undecanoylcholine,CCCCCCCCCCC(=O)OCC[N+](C)(C)C,35.557037,62.2736156
DG(8:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCC,35.55988,6.922450662
DG(20:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,35.560776,6.92435056
"PG(18:0/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,35.561733,2.546756715
Not Found,[H]C(C)(CCC(=O)C([H])(C)C(=O)SCCN=C(O)CCN=C(O)C([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O)C1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)C12C,35.564953,1.377182454
TG(19:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,35.565994,6.375283003
PC(18:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,35.570805,4.313416407
"PS(20:4(5Z,8Z,11Z,14Z)/14:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC)C(O)=O,35.575726,2.505633421
PC(15:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,35.57746,5.107371882
PC(15:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.577656,5.107371882
TG(17:0/i-13:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.579845,4.802636802
TG(19:0/22:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.58723,4.841376841
TG(19:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,35.587635,4.81902808
DG(13:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,35.58916,5.4581929
TG(13:0/i-20:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,35.60625,4.802636802
TG(14:0/i-21:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,35.6087,4.802636802
PC(18:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,35.610867,5.107371882
Ethyl acetate,CCOC(C)=O,35.614925,64.10418749
PC(20:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,35.617737,5.107371882
SM(d18:1/12:0),CCCCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC,35.626064,4.657857493
"PS(18:3(9Z,12Z,15Z)/16:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,35.631668,2.505633421
"PS(20:3(8Z,11Z,14Z)/16:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,35.635036,2.505633421
"PIP2(18:1(11Z)/18:3(6Z,9Z,12Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,35.65051,1.425090339
PC(22:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,35.65454,4.313416407
DG(i-16:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,35.656082,5.90515621
PC(22:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,35.658806,4.313416407
"PS(14:1(9Z)/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,35.663185,2.505633421
TG(14:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,35.670128,5.057617277
TG(10:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.674503,5.722453445
PC(22:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,35.675636,5.107371882
"PG(16:0/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,35.67676,2.546756715
PC(20:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.67687,4.313416407
DG(i-15:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,35.677708,5.663807318
TG(12:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,35.67924,4.802636802
"PG(18:0/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,35.68859,2.546756715
DG(i-20:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C,35.690315,5.90515621
TG(18:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,35.69566,4.802636802
3-Methylcrotonylglycine,CC(C)=CC(=O)NCC(O)=O,35.698902,10.27063057
TG(13:0/i-17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,35.711376,4.802636802
PC(19:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,35.717262,5.107371882
PC(22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,35.72239,4.867998511
TG(8:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.733105,5.722453445
DG(i-18:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,35.73611,5.438110232
PC(22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,35.738297,5.107371882
"PS(16:1(9Z)/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,35.739002,2.505633421
TG(15:0/i-15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,35.750683,4.802636802
PC(18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,35.75096,5.107371882
DG(15:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC,35.751965,6.922450662
"PS(18:3(9Z,12Z,15Z)/18:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,35.754322,2.505633421
DG(i-15:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,35.756912,5.438110232
TG(14:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,35.762703,4.81902808
DG(8:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCC,35.767456,8.455269039
TG(20:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,35.78163,5.969008431
DG(16:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,35.783016,5.588813126
DG(14:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,35.783577,5.4581929
S-Prenyl-L-cysteine,CC(C)=CCSCC(N)C(O)=O,35.79189,7.837869972
"PS(20:3(8Z,11Z,14Z)/18:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,35.796394,2.505633421
TG(20:0/15:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,35.812565,4.802636802
TG(16:0/i-13:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.813267,4.802636802
"SM(d18:1/20:2(11Z,14Z))",CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,35.81433,3.894233704
TG(14:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,35.817852,4.802636802
TG(12:0/i-13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,35.823845,4.802636802
"PS(18:1(9Z)/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,35.824608,2.505633421
"PS(16:1(9Z)/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,35.824997,2.505633421
DG(20:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,35.825844,5.721065402
DG(20:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,35.83388,6.92435056
TG(14:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,35.84127,4.802636802
Methyl acetate,COC(C)=O,35.846245,67.56007671
TG(12:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,35.85117,4.802636802
DG(15:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,35.854706,5.4581929
TG(20:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,35.856396,5.057617277
DG(i-18:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,35.858116,5.90515621
TG(14:0/i-15:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,35.860313,4.802636802
"PIP3(18:1(9Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,35.862038,1.425090339
TG(14:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,35.863773,4.802636802
TG(15:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,35.86619,4.802636802
DG(i-19:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCC(C)C,35.868362,5.90515621
TG(19:0/21:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,35.878433,5.057617277
TG(14:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,35.88332,4.81902808
DG(12:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC,35.885967,8.722634614
DG(8:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCC,35.886257,13.03742826
DG(i-13:0/0:0/i-16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,35.8994,4.176246747
TG(17:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,35.901634,4.802636802
DG(8:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCC,35.90929,8.722634614
"PIP3(18:1(11Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,35.914864,1.425090339
TG(14:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,35.924545,4.841376841
TG(20:0/18:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,35.926826,5.969008431
1-Butanol,CCCCO,35.931965,39.02440369
DG(13:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC,35.938267,6.922450662
DG(14:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC,35.93841,8.455269039
DG(12:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,35.945984,6.529863924
PC(15:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,35.948433,5.112182721
TG(20:0/19:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,35.961285,5.969008431
Piperidine,C1CCNCC1,35.961613,27.93266773
DG(i-19:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,35.974117,5.663807318
DG(i-16:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,35.98336,5.90515621
TG(14:0/i-21:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,35.984676,4.802636802
TG(15:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,35.98524,4.802636802
"PIP3(18:1(9Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,35.98574,1.425090339
DG(i-13:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,35.98955,5.663807318
TG(20:0/17:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,35.992214,4.802636802
"PIP3(18:1(11Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,36.003296,1.425090339
PC(15:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,36.00464,4.504063725
DG(i-13:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,36.01698,5.90515621
DG(i-16:0/0:0/i-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,36.019474,5.438110232
Sulcatone,CC(C)=CCCC(C)=O,36.021652,57.50621557
TG(19:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,36.028194,6.375283003
PC(20:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,36.03069,5.107371882
PC(20:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,36.031387,4.867998511
DG(13:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,36.0322,6.529863924
"PS(18:1(9Z)/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,36.032486,2.505633421
TG(20:0/16:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,36.034428,4.802636802
TG(17:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,36.036697,4.81902808
PC(14:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,36.038536,5.107371882
DG(i-13:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,36.039555,5.438110232
DG(i-21:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,36.050766,5.90515621
TG(20:0/18:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,36.052246,4.81902808
Geraniol,CC(C)=CCC\C(C)=C/CO,36.063057,39.48573768
DG(16:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,36.06543,5.183058232
TG(14:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,36.067764,5.057617277
TG(17:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,36.075893,4.802636802
PC(20:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,36.079174,4.313416407
DG(i-22:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,36.07946,5.90515621
TG(10:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,36.080666,4.802636802
PC(16:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,36.105488,5.107371882
DG(i-16:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,36.108765,5.90515621
TG(14:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,36.1229,4.802636802
TG(15:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,36.12876,4.802636802
PC(21:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.133724,5.107371882
TG(14:0/i-21:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,36.141155,4.802636802
TG(17:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,36.141705,4.802636802
DG(i-15:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,36.14493,5.90515621
DG(10:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCC,36.145046,13.03742826
Tetrahydrofuran,C1CCOC1,36.14546,30.55514097
"PIP2(18:2(9Z,12Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,36.14813,1.785373874
TG(18:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,36.153824,4.802636802
TG(14:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,36.15434,4.802636802
TG(14:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,36.15651,4.81902808
PC(15:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,36.158306,5.107371882
"N1,N12-Diacetylspermine",CC(=O)NCCCNCCCCNCCCNC(C)=O,36.16356,2.188455872
DG(21:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,36.16411,6.749132276
DG(i-13:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,36.168556,4.503183812
DG(i-16:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,36.174946,5.90515621
DG(i-15:0/0:0/i-16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C,36.181328,4.503183812
PC(16:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,36.183033,5.107371882
DG(i-17:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,36.18906,4.503183812
PC(16:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,36.192352,5.112182721
DG(i-17:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,36.19443,5.90515621
1-Amino-propan-2-ol,CC(O)CN,36.203575,8.118972927
"PIP2(18:2(9Z,12Z)/20:1(11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,36.221424,1.785373874
DG(a-17:0/0:0/i-15:0),CCC(C)CCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCC(C)C,36.226868,5.663807318
PC(14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,36.22865,5.112182721
DG(i-17:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,36.23014,5.90515621
Senecioic acid,CC(C)=CC(O)=O,36.23019,29.16733027
TG(19:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,36.232853,4.81902808
PC(20:0/11:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC,36.239605,5.107371882
2-Ethyl-1-Hexanol,CCCCC(CC)CO,36.243015,44.23720539
PC(22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.24303,5.107371882
PC(14:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,36.245724,5.107371882
PC(21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,36.251465,5.107371882
PC(19:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.25193,5.107371882
PC(20:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,36.256912,5.107371882
TG(19:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,36.257446,5.057617277
TG(19:0/21:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,36.263557,5.969008431
PC(24:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.268448,5.107371882
"PIP2(18:2(9Z,12Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,36.26912,1.785373874
TG(13:0/i-16:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,36.27228,4.802636802
TG(20:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.278328,5.969008431
TG(22:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,36.27904,5.969008431
Phytanic acid,CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O,36.28013,13.48369271
Homophytanic acid,CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)=O,36.281307,11.87554076
Pristanic acid,CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O,36.28218,14.88045305
Pristanal,CC(C)CCCC(C)CCCC(C)CCCC(C)C=O,36.282467,31.84231818
"N1,N8-Diacetylspermidine",CC(=O)NCCCCNCCCNC(C)=O,36.282932,4.793841764
Cyclohexane,C1CCCCC1,36.286777,51.82598233
"PIP3(18:2(9Z,12Z)/20:1(11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(OP(O)(O)=O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,36.29077,1.785373874
TG(19:0/19:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,36.29389,5.969008431
TG(15:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,36.295006,4.802636802
TG(15:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,36.299572,4.802636802
Trimethyltridecanoic acid,CC(C)CCCC(C)CCCC(C)CCC(O)=O,36.30473,29.24054861
TG(16:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,36.308804,4.802636802
TG(20:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,36.30897,5.057617277
TG(10:0/i-13:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,36.312187,5.722453445
PC(22:0/11:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC,36.31586,5.107371882
TG(18:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,36.320328,4.802636802
"2,6,10-Trimethylundecanoic acid",CC(C)CCCC(C)CCCC(C)C(O)=O,36.32083,36.31668389
TG(20:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.32213,5.057617277
3-Methyl-2-butenal,CC(C)=CC=O,36.330845,76.28276348
TG(14:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,36.331776,4.81902808
DG(i-16:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,36.338825,5.579292774
PC(24:0/15:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@](C)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,36.339935,4.313416407
DG(i-18:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,36.34344,4.503183812
DG(i-13:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,36.348106,4.503183812
PC(17:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.352135,5.107371882
DG(i-14:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,36.35305,5.90515621
PC(14:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.35413,5.107371882
TG(22:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,36.355076,5.969008431
PC(22:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,36.361042,5.107371882
TG(17:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,36.36145,4.802636802
PC(24:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,36.371048,5.612786859
TG(16:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,36.37872,4.802636802
PC(14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,36.37995,5.107371882
TG(22:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,36.385517,5.057617277
"4,6-Dimethylnonanoic acid",CC(C)CCCC(C)CCC(O)=O,36.395943,33.7143749
TG(16:0/i-14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,36.398083,4.802636802
DG(18:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,36.401596,5.588813126
TG(8:0/i-13:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,36.404495,5.722453445
Ethoxyacetic acid,CCOCC(O)=O,36.408504,22.17413932
TG(22:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,36.41143,5.969008431
TG(20:0/19:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,36.416897,4.81902808
TG(12:0/i-24:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,36.420647,4.802636802
PC(14:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,36.421204,5.107371882
DG(i-14:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,36.43343,5.90515621
PC(13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,36.44613,5.112182721
PC(13:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,36.447006,5.107371882
TG(16:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,36.44816,4.802636802
TG(19:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,36.453747,4.802636802
PC(24:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,36.45393,4.867998511
PC(13:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,36.457794,5.112182721
PC(22:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,36.46018,5.122684315
PC(14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,36.46459,5.107371882
TG(12:0/i-22:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,36.46768,4.802636802
DG(i-14:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,36.474293,5.90515621
PC(21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,36.474293,5.107371882
DG(i-15:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,36.477745,5.90515621
PC(21:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,36.482605,5.107371882
TG(15:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,36.484837,4.802636802
PC(24:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,36.487175,4.313416407
PC(13:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.488792,5.107371882
PC(21:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,36.493935,5.107371882
TG(18:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,36.497272,4.802636802
PC(24:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.49759,5.122684315
PC(24:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,36.498547,4.313416407
TG(14:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,36.49928,4.802636802
DG(17:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,36.50145,5.588813126
DG(i-14:0/0:0/i-15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,36.50403,4.176246747
DG(19:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,36.507153,6.749132276
DG(i-14:0/0:0/i-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,36.513935,4.503183812
DG(10:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCC,36.514362,6.922450662
DG(i-21:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,36.516407,5.90515621
PC(18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.518303,5.107371882
TG(10:0/i-13:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,36.519844,5.722453445
PC(21:0/11:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC,36.521397,5.107371882
DG(i-20:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,36.528473,5.90515621
DG(i-13:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,36.539673,5.438110232
TG(12:0/i-19:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,36.546947,4.802636802
Methoxyacetic acid,COCC(O)=O,36.550144,22.39867449
PS(18:0/18:1(9Z)),CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,36.550816,3.031138889
TG(18:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,36.551422,4.81902808
Butyric acid,CCCC(O)=O,36.554893,21.39683664
PC(13:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,36.555645,5.107371882
PC(13:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,36.557175,5.107371882
PC(13:0/23:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCC,36.55812,5.107371882
"PS(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,36.559044,2.505633421
Acetic acid,CC(O)=O,36.56703,23.78861308
"PIP2(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.568005,1.493126899
DG(i-14:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,36.570454,5.438110232
Propionic acid,CCC(O)=O,36.573265,26.9925952
3-Hydroxy-cis-5-tetradecenoylcarnitine,CCCCCCCC\C=C/CC(O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,36.574284,11.61620691
PS(16:0/16:0),CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCC,36.574852,3.175880387
DG(i-20:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,36.57576,5.438110232
PC(20:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.579136,5.107371882
"PIP2(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.58132,1.493126899
TG(19:0/22:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.582455,5.969008431
TG(10:0/i-21:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,36.584263,4.802636802
TG(16:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,36.594814,4.802636802
TG(17:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,36.60021,4.802636802
TG(15:0/i-13:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,36.607952,4.802636802
DG(22:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,36.61084,6.92435056
Butoxyacetic acid,CCCCOCC(O)=O,36.612934,21.01776302
Aminocaproic acid,NCCCCCC(O)=O,36.613476,6.85505867
"PI(18:0/16:2(9Z,12Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,36.622765,1.45279821
TG(16:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,36.62402,4.802636802
TG(15:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,36.627235,4.802636802
TG(22:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,36.635918,4.81902808
"PIP(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.63906,1.22570768
TG(14:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,36.640774,4.802636802
PC(13:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,36.645466,5.107371882
TG(18:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,36.647247,4.802636802
PC(16:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.650665,5.112182721
TG(22:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,36.650784,4.81902808
TG(10:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,36.65105,4.802636802
TG(22:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,36.65298,4.81902808
"PI(16:0/16:2(9Z,12Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,36.65603,1.459453069
"PIP(18:3(6Z,9Z,12Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@@]([H])(COC[C@@]([H])(O)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.6704,1.37739135
PC(15:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.67162,5.112182721
TG(22:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,36.674343,4.802636802
PC(17:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,36.674397,5.112182721
TG(12:0/i-18:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,36.6796,4.802636802
"PIP(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.680817,1.22570768
"PIP(18:1(11Z)/18:3(6Z,9Z,12Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COC[C@@]([H])(O)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.683678,1.37739135
DG(i-15:0/0:0/a-17:0),CCC(C)CCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCC(C)C,36.688454,5.663807318
TG(18:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,36.68923,4.802636802
"PS(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,36.68932,2.505633421
DG(14:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,36.696278,6.749132276
DG(i-16:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,36.698956,5.90515621
DG(18:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,36.70363,7.029240578
TG(14:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.708496,4.81902808
"PIP(18:3(6Z,9Z,12Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC[C@@]([H])(O)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.709816,1.37739135
"PI(18:0/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,36.713737,1.372329704
DG(19:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,36.71813,5.183058232
TG(15:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,36.718246,4.802636802
TG(14:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,36.718723,4.81902808
DG(i-16:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,36.728157,5.90515621
TG(18:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,36.729504,4.802636802
"PS(18:2(9Z,12Z)/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,36.73796,2.505633421
"PI(18:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,36.738564,1.372329704
TG(20:0/14:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,36.741165,4.802636802
PC(14:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC,36.74469,5.112182721
DG(i-14:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,36.747,5.663807318
"PI(16:0/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,36.747494,1.372329704
"PIP(18:1(9Z)/18:3(6Z,9Z,12Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC[C@@]([H])(O)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.7514,1.37739135
DG(i-12:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,36.755695,5.90515621
TG(22:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.76343,4.841376841
TG(22:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,36.769592,5.057617277
PC(14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,36.786,5.107371882
"PI(16:0/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,36.793686,1.372329704
DG(19:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,36.79494,6.749132276
TG(15:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.7998,4.802636802
TG(12:0/i-20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,36.801144,4.802636802
DG(i-24:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,36.804516,5.90515621
TG(22:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,36.804607,4.841376841
TG(14:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,36.806446,4.802636802
TG(16:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,36.808754,4.802636802
DG(17:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,36.817482,5.588813126
DG(i-16:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,36.82003,4.176246747
TG(14:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,36.822254,4.802636802
TG(14:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,36.823925,4.802636802
PC(18:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,36.829494,5.112182721
PC(11:0/24:0),[H][C@@](COC(=O)CCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,36.82978,5.107371882
TG(14:0/i-13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,36.83368,4.802636802
"CDP-DG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.846554,1.268513594
DG(18:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,36.8484,6.749132276
DG(12:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,36.85521,5.588813126
DG(i-19:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,36.859062,5.90515621
TG(14:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,36.864227,4.802636802
TG(21:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,36.864304,4.841376841
TG(18:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,36.866333,4.81902808
DG(i-13:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,36.86895,4.176246747
2-Hexenoylcarnitine,CCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C,36.874386,38.56803775
PC(14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,36.87706,5.112182721
DG(16:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,36.877132,5.588813126
TG(21:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,36.88155,4.81902808
TG(15:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,36.884552,4.802636802
"CDP-DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,36.89041,1.268513594
TG(18:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,36.894974,4.802636802
Acetone,CC(C)=O,36.898396,47.35916853
TG(19:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,36.899574,4.802636802
TG(21:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,36.905075,5.057617277
TG(19:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,36.907143,4.802636802
2-Pentanone,CCCC(C)=O,36.910957,53.70333195
DG(14:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,36.91187,5.588813126
DG(14:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,36.91338,7.029240578
PC(19:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,36.91531,5.107371882
TG(21:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,36.92531,4.81902808
SM(d16:0/17:1(10Z)),CCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC\C=C/CCCCCC,36.925503,4.657857493
2-Hexenoylcholine,CCC\C=C\C(=O)OCC[N+](C)(C)C,36.925964,65.10356665
TG(15:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,36.926052,4.802636802
DG(i-16:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,36.928734,5.90515621
DG(i-16:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,36.931004,4.503183812
"PI(20:0/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,36.93507,1.372329704
DG(i-12:0/0:0/i-15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,36.93599,4.39793691
Glycolic acid,OCC(O)=O,36.936935,17.6075995
PC(11:0/23:0),[H][C@@](COC(=O)CCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCC,36.943127,5.107371882
TG(17:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,36.95048,4.802636802
TG(19:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,36.95132,4.802636802
DG(21:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,36.95505,6.92435056
DG(10:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,36.956585,5.183058232
TG(i-13:0/i-19:0/i-21:0),CC(C)CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,36.96707,4.134249315
TG(19:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,36.96716,4.81902808
PC(20:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,36.96757,5.107371882
SM(d18:0/16:1(9Z)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCC,36.96972,4.657857493
PI(16:0/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,36.972424,1.45279821
DG(i-16:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,36.97315,5.90515621
DG(i-12:0/0:0/i-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,36.974854,4.176246747
TG(14:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,36.977886,4.841376841
Butanone,CCC(C)=O,36.9792,50.70588589
PC(11:0/22:0),[H][C@@](COC(=O)CCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.979927,5.107371882
TG(22:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,36.98601,5.969008431
DG(10:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC,36.986374,8.722634614
PC(21:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,36.98727,5.107371882
TG(17:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.987892,4.81902808
DG(i-12:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,36.988113,4.503183812
DG(i-22:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,36.98992,5.90515621
PC(11:0/21:0),[H][C@@](COC(=O)CCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,36.99143,5.107371882
SM(d16:0/18:1(11E)),CCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC,36.9967,4.657857493
TG(19:0/22:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,36.99844,5.057617277
TG(22:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.002983,5.057617277
DG(i-14:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,37.00453,5.579292774
SM(d20:0/20:1(13Z)),CCCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCC,37.013237,3.862150759
DG(14:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.01343,6.92435056
TG(18:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.018257,5.057617277
TG(21:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,37.02007,5.057617277
Isopropyl alcohol,CC(C)O,37.02393,30.36811054
DG(22:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,37.024727,6.92435056
DG(i-12:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,37.025658,5.579292774
3-Methylbutyrolactone,CC1COC(=O)C1,37.02931,51.83918476
SM(d17:0/18:1(11E)),CCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC,37.037586,4.657857493
DG(17:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,37.040344,5.4581929
TG(i-13:0/i-19:0/a-21:0)[rac],CCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,37.041122,4.148359224
DG(20:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,37.044468,6.92435056
PC(12:0/24:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,37.047947,5.107371882
TG(16:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,37.056698,4.802636802
TG(14:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,37.05808,4.802636802
DG(i-15:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,37.05958,4.503183812
TG(21:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.059742,4.841376841
PC(11:0/19:0),[H][C@@](COC(=O)CCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,37.06092,5.112182721
TG(17:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,37.06126,4.802636802
SM(d18:0/18:1(11Z)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC,37.063362,4.657857493
TG(17:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,37.06356,4.802636802
SM(d18:0/18:1(9Z)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC,37.06499,4.657857493
TG(22:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.06745,5.969008431
SM(d16:0/20:1(11Z)),CCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCCCC,37.07086,4.657857493
PC(20:0/10:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,37.071316,5.112182721
PC(12:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,37.071487,5.107371882
TG(8:0/i-13:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,37.075287,5.722453445
TG(12:0/i-21:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,37.08165,4.802636802
TG(17:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,37.08623,4.802636802
TG(17:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.087467,4.81902808
DG(i-12:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,37.0877,4.503183812
DG(i-14:0/0:0/i-16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,37.091915,4.503183812
PC(12:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,37.099064,5.112182721
SM(d20:0/22:1(13Z)),CCCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,37.099354,3.937713802
PC(22:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,37.10223,5.107371882
SM(d20:0/24:1(15Z)),CCCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,37.102646,3.937713802
TG(16:0/i-12:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,37.103756,4.802636802
SM(d18:0/26:1(17Z)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,37.104153,3.937713802
Gamma-Caprolactone,CCC1CCC(=O)O1,37.106823,78.19057703
"PS(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,37.108032,2.505633421
SM(d22:0/22:1(13Z)),CCCCCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,37.108585,3.937713802
SM(d22:0/20:1(11Z)),CCCCCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCCCC,37.114197,3.937713802
TG(22:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,37.117737,5.969008431
SM(d17:0/22:1(13Z)),CCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,37.118248,4.379476234
DG(i-18:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,37.119965,5.579292774
SM(d21:0/22:1(13Z)),CCCCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,37.12049,3.937713802
TG(14:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,37.122124,5.057617277
DG(i-16:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,37.12306,5.579292774
PC(12:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.123306,5.107371882
SM(d18:0/22:1(13Z)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,37.12711,3.862150759
SM(d17:0/24:1(15Z)),CCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,37.128216,3.862150759
SM(d18:0/20:1(11Z)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCCCC,37.129993,4.379476234
DG(i-14:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,37.13074,5.90515621
"PS(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,37.133247,2.505633421
TG(21:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,37.134903,5.057617277
SM(d18:0/24:1(15Z)),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,37.13576,3.937713802
TG(18:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.138546,4.81902808
TG(14:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.13926,4.802636802
DG(i-14:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,37.139385,4.176246747
TG(i-21:0/i-22:0/a-17:0)[rac],CCC(C)CCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,37.141243,4.167598113
SM(d19:0/24:1(15Z)),CCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,37.141945,3.937713802
2-Methylpropanal,CC(C)C=O,37.14229,42.58480966
DG(12:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.145573,6.92435056
TG(19:0/21:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.145863,5.057617277
DG(17:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,37.14701,5.183058232
TG(22:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.14913,5.579711497
DG(12:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,37.15459,5.588813126
"PS(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,37.1569,2.505633421
TG(21:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,37.15991,4.802636802
PC(19:0/10:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,37.16609,5.112182721
DG(18:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,37.166714,5.588813126
PC(12:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,37.169044,5.112182721
"PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,37.17134,2.505633421
PC(12:0/23:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCC,37.172123,5.107371882
TG(14:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.172264,4.802636802
TG(18:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.17937,4.802636802
TG(10:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,37.181522,4.802636802
DG(12:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.18406,6.749132276
TG(i-17:0/i-24:0/i-21:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,37.184807,5.488029122
DG(i-14:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,37.18508,4.39793691
DG(19:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,37.186924,5.588813126
10-Hydroxydecanoic acid,OCCCCCCCCCC(O)=O,37.189144,37.45084405
Tartronate semialdehyde,OC(C=O)C(O)=O,37.19735,13.69027942
DG(i-12:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,37.198605,5.663807318
DG(16:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,37.20147,5.4581929
DG(i-12:0/0:0/i-14:0),[H][C@](O)(COC(=O)CCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,37.208576,4.327557236
TG(i-18:0/a-21:0/i-21:0)[rac],CCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,37.209053,4.167598113
TG(16:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.21004,4.802636802
Aminooxyacetic acid,NOCC(O)=O,37.213562,4.211588949
Ethyl isovalerate,CCOC(=O)CC(C)C,37.213802,97.02197909
Alpha-Hydroxyisobutyric acid,CC(C)(O)C(O)=O,37.21673,15.15297443
DG(i-17:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,37.227573,5.438110232
DG(i-12:0/0:0/i-16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,37.22972,4.39793691
TG(16:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,37.2333,4.802636802
DG(i-16:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,37.23853,5.438110232
Nonacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,37.23932,12.13347018
DG(14:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.24526,6.92435056
DG(10:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,37.24609,5.721065402
PC(12:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.246235,5.107371882
4-Hydroxybutyric acid,OCCCC(O)=O,37.25073,20.45512944
DG(21:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,37.254322,6.749132276
TG(14:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,37.254486,4.81902808
TG(i-20:0/i-22:0/i-21:0),CC(C)CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C,37.256866,5.488029122
TG(i-20:0/i-20:0/a-21:0)[rac],CCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,37.256947,5.488029122
TG(i-12:0/i-18:0/i-24:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,37.261345,4.148359224
2-Methyl-3-oxopropanoic acid,CC(C=O)C(O)=O,37.262035,19.50669885
2-Methyl-4-heptanone,CCCC(=O)CC(C)C,37.264233,83.09639692
PC(20:0/9:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC,37.26579,5.112182721
DG(10:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.26609,7.029240578
DG(22:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,37.272038,6.92435056
DG(10:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,37.27268,5.4581929
DG(19:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,37.273914,5.588813126
PC(12:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,37.27653,5.107371882
TG(8:0/i-21:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,37.283512,5.722453445
Hexacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,37.283943,13.83725107
"PS(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,37.287693,2.505633421
TG(12:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.290325,4.802636802
TG(16:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,37.29065,4.802636802
Octacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,37.29098,12.13347018
DG(i-13:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.292694,4.39793691
DG(15:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,37.301407,5.183058232
Heptacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,37.30308,12.13347018
DG(14:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,37.307198,5.4581929
TG(21:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.309124,5.057617277
TG(16:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,37.31039,4.802636802
"PS(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,37.313168,2.505633421
TG(22:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.315205,4.802636802
DG(i-24:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.315895,5.90515621
TG(i-12:0/i-24:0/i-21:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,37.31642,4.353744537
TG(21:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,37.317196,4.802636802
DG(12:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,37.323147,5.183058232
Ethyl isobutyl ketone,CCC(=O)CC(C)C,37.325314,79.67765331
TG(i-16:0/i-24:0/i-21:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,37.332832,4.167598113
TG(16:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.333633,4.81902808
PC(9:0/23:0),[H][C@@](COC(=O)CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCC,37.338654,5.107371882
TG(19:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.347668,4.81902808
Dolichol phosphate,CC(CCOP(O)(O)=O)CC\C=C(/C)CCC=C(C)C,37.353043,17.93323159
Isoputreanine,NCCCNCCCC(O)=O,37.35654,4.655875638
PC(11:0/20:0),[H][C@@](COC(=O)CCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,37.35675,5.107371882
TG(21:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,37.36327,4.81902808
TG(19:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,37.364048,4.81902808
DG(20:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,37.36589,7.029240578
DG(i-16:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,37.366856,5.90515621
TG(12:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,37.374535,4.81902808
DG(i-14:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,37.375534,5.90515621
PC(9:0/21:0),[H][C@@](COC(=O)CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.378742,5.112182721
PC(22:0/10:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,37.381798,5.107371882
DG(10:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.382175,5.588813126
"PS(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,37.38409,2.505633421
SM(d18:0/16:0),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC,37.38691,4.240904003
"PS(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,37.390587,2.505633421
TG(16:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.390644,4.802636802
SM(d18:0/12:0),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC,37.391827,4.240904003
TG(14:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.3992,4.802636802
Ethyl isopropyl ketone,CCC(=O)C(C)C,37.40046,74.28497076
PC(10:0/20:0),[H][C@@](COC(=O)CCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,37.401333,5.112182721
PC(21:0/10:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,37.40215,5.107371882
"PS(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,37.41536,2.505633421
TG(17:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.416256,4.802636802
SM(d18:0/14:0),CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC,37.417484,4.240904003
TG(16:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,37.42076,4.802636802
PC(8:0/21:0),[H][C@@](COC(=O)CCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.427105,5.112182721
TG(14:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,37.427364,4.81902808
TG(10:0/i-21:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,37.42796,4.802636802
TG(21:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,37.431213,4.81902808
Propynoic acid,OC(=O)C#C,37.448933,21.91491127
Isopentanol,CC(C)CCO,37.46237,41.81062579
"SM(d20:0/22:2(6Z,13Z))",CCCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCC\C=C/CCCCC\C=C/CCCCCCCC,37.4644,3.937713802
DG(14:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,37.464603,6.92435056
"CDP-DG(18:0/22:3(10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,37.471527,1.438245084
"CDP-DG(16:0/22:3(10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,37.47498,1.438245084
TG(10:0/i-21:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,37.4844,4.802636802
DG(i-14:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,37.491333,5.438110232
DG(i-20:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,37.492683,5.90515621
DG(i-15:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.500595,4.176246747
TG(20:0/14:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.501007,4.802636802
DG(20:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,37.502285,6.92435056
2-Ethyl-2-Hydroxybutyric acid,CCC(O)(CC)C(O)=O,37.502533,16.03573859
TG(12:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,37.50808,5.057617277
TG(14:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,37.510136,5.057617277
TG(21:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.510303,4.802636802
TG(14:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.510376,4.802636802
DG(i-22:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.510826,5.90515621
TG(12:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,37.51299,4.81902808
DG(14:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,37.513935,5.588813126
DG(15:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,37.524826,5.4581929
"SM(d18:0/22:2(6Z,13Z))",CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCC\C=C/CCCCC\C=C/CCCCCCCC,37.525593,3.862150759
"PIP2(18:2(9Z,12Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,37.53774,1.425090339
PC(9:0/22:0),[H][C@@](COC(=O)CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.54151,5.107371882
TG(10:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,37.544014,4.802636802
DG(17:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,37.54577,5.183058232
TG(12:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,37.54779,4.802636802
TG(10:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,37.55294,4.802636802
TG(12:0/i-21:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,37.55345,4.802636802
DG(i-16:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,37.55877,5.663807318
TG(17:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,37.560085,4.802636802
N-oleoyl glutamine,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=N[C@@]([H])(CCC(O)=N)C(O)=O,37.56055,1.850754023
"SM(d19:0/22:2(6Z,13Z))",CCCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCC\C=C/CCCCC\C=C/CCCCCCCC,37.563175,3.862150759
TG(14:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,37.56647,4.802636802
"PIP2(20:2(11Z,14Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,37.56725,1.425090339
Mevalonic acid,CC(O)(CCO)CC(O)=O,37.569542,5.550960451
PI(16:1(9Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,37.569977,1.45279821
TG(8:0/i-15:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,37.57026,5.722453445
TG(19:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.573772,4.802636802
TG(12:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,37.575718,4.802636802
PI(18:1(9Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,37.57814,1.372329704
DG(i-14:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,37.58609,4.503183812
TG(8:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,37.587997,5.722453445
3-Hydroxyisovaleric acid,CC(C)(O)CC(O)=O,37.589478,18.88891757
TG(10:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,37.600735,4.802636802
TG(12:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,37.602158,4.802636802
"A,b-Dihydroxyisobutyric acid",CC(O)(CO)C(O)=O,37.607018,5.592514575
"PIP2(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,37.615635,1.493126899
TG(12:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,37.618767,4.802636802
TG(8:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,37.61893,4.802636802
Pentyl butanoate,CCCCCOC(=O)CCC,37.622326,91.53915644
3-Methylpentane,CCC(C)CC,37.62679,52.07231641
"PIP2(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,37.628414,1.493126899
PI(18:1(9Z)/16:1(9Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,37.631245,1.45279821
PI(20:1(11Z)/18:1(11Z)),[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,37.632828,1.372329704
TG(21:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.639435,4.802636802
TG(12:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,37.639793,4.802636802
PC(9:0/20:0),[H][C@@](COC(=O)CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,37.63986,5.112182721
DG(16:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,37.64095,5.588813126
DG(13:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC,37.642365,6.529863924
Diacetyl,CC(=O)C(C)=O,37.645374,51.5322566
DG(i-19:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.647274,5.438110232
TG(14:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,37.648193,4.802636802
"PIP2(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,37.64988,1.493126899
"SM(d18:0/18:2(9Z,12Z))",[H][C@@](COP([O-])(=O)OCC[N+](C)(C)C)(NC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[C@H](O)CCCCCCCCCCCCCCC,37.650993,4.657857493
N-Heptanoylglycine,CCCCCCC(O)=NCC(O)=O,37.653564,37.55377531
TG(12:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,37.65887,4.802636802
"SM(d18:0/18:2(9E,12E))",[H][C@@](COP([O-])(=O)OCC[N+](C)(C)C)(NC(=O)CCCCCCC\C=C\C\C=C\CCCCC)[C@H](O)CCCCCCCCCCCCCCC,37.659256,4.657857493
PC(10:0/22:0),[H][C@@](COC(=O)CCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.661278,5.107371882
TG(12:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,37.661343,4.802636802
TG(21:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.66299,4.841376841
TG(14:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,37.66447,4.802636802
Pyruvaldehyde,CC(=O)C=O,37.668434,65.5985713
TG(10:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,37.669594,4.802636802
DG(i-14:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,37.673832,5.663807318
DG(10:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,37.677105,5.588813126
TG(15:0/i-13:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,37.677887,4.802636802
Isobutyric acid,CC(C)C(O)=O,37.680206,24.01414663
TG(18:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,37.681385,4.802636802
2-Ethylacrylic acid,CCC(=C)C(O)=O,37.681545,28.07518244
DG(15:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,37.68439,5.183058232
PC(O-16:1(9Z)/22:0),[H][C@@](COCCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.68457,5.712285638
2-Hydroxy-2-methylbutyric acid,CCC(C)(O)C(O)=O,37.68936,14.1440168
TG(i-14:0/i-22:0/i-18:0),CC(C)CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,37.690525,4.148359224
PC(P-20:0/22:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.697426,5.037521943
TG(17:0/i-16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,37.70067,4.802636802
TG(14:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,37.702312,4.802636802
PC(P-20:0/16:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,37.70425,6.075387076
TG(16:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.707417,4.802636802
PC(P-20:0/14:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,37.708748,6.075387076
TG(14:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,37.71054,4.802636802
TG(12:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,37.71073,4.802636802
PC(10:0/24:0),[H][C@@](COC(=O)CCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,37.714054,5.107371882
TG(21:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,37.717896,5.057617277
TG(i-21:0/i-24:0/i-17:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCC(C)C,37.72025,5.488029122
Cer(d18:1/23:0),CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(O)\C=C\CCCCCCCCCCCCC,37.72068,6.751224399
PC(P-20:0/12:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,37.723526,6.075387076
TG(i-14:0/i-24:0/i-22:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,37.729973,4.167598113
DG(i-18:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.730183,5.663807318
PC(10:0/23:0),[H][C@@](COC(=O)CCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCC,37.73255,5.107371882
TG(12:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,37.73294,5.057617277
PI(18:1(9Z)/20:1(11Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,37.73453,1.372329704
DG(i-17:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.73482,4.503183812
TG(12:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,37.735428,4.802636802
PC(O-18:1(9Z)/22:0),[H][C@@](COCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,37.743256,5.037521943
PC(10:0/21:0),[H][C@@](COC(=O)CCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.74432,5.107371882
TG(12:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,37.7502,4.802636802
TG(21:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,37.752785,6.375283003
TG(15:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.758133,4.802636802
PC(o-18:1(9Z)/20:0),[H][C@@](COCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,37.759686,5.712285638
DG(16:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC,37.764072,7.828702778
"CDP-DG(16:0/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,37.764915,1.268513594
"CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,37.7671,1.268513594
TG(12:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,37.767967,4.802636802
TG(15:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,37.771885,4.802636802
PC(10:0/19:0),[H][C@@](COC(=O)CCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,37.77402,5.112182721
TG(12:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,37.77583,4.802636802
TG(i-21:0/i-19:0/i-13:0),CC(C)CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,37.777172,4.134249315
TG(18:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,37.778324,5.057617277
TG(21:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,37.784355,5.969008431
TG(21:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,37.791035,5.969008431
DG(18:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,37.79478,5.4581929
TG(14:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,37.795082,4.802636802
DG(17:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,37.795433,5.4581929
TG(18:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,37.796474,4.802636802
DG(i-14:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,37.799274,5.579292774
"PIP(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,37.804108,1.22570768
TG(21:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,37.806736,6.375283003
TG(18:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.808372,4.802636802
"CDP-DG(16:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,37.812065,1.268513594
Alpha-ketoisovaleric acid,CC(C)C(=O)C(O)=O,37.813763,18.84058565
"CDP-DG(18:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,37.814003,1.268513594
TG(15:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,37.815536,4.802636802
"SM(d18:0/20:2(11Z,14Z))",CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,37.822876,4.379476234
TG(10:0/i-19:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,37.823822,4.802636802
TG(20:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,37.825474,4.81902808
DG(16:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,37.833084,5.370846763
TG(21:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,37.834644,5.057617277
TG(8:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,37.840958,5.722453445
"PIP(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,37.84233,1.22570768
DG(10:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,37.847946,5.370846763
DG(i-14:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,37.857075,4.503183812
DG(12:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,37.857548,7.029240578
Glyoxylic acid,OC(=O)C=O,37.88026,18.19384992
TG(10:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,37.884026,4.802636802
TG(10:0/i-20:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,37.884605,4.802636802
TG(i-21:0/i-22:0/i-20:0),CC(C)CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)C,37.88558,5.488029122
DG(19:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,37.88849,5.183058232
TG(14:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.88914,4.802636802
2-Butanol,CCC(C)O,37.89062,39.02440369
DG(21:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,37.891834,5.588813126
Diacetone alcohol,CC(=O)CC(C)(C)O,37.9026,35.34093499
DG(22:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,37.906803,7.029240578
DG(i-20:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.906937,5.579292774
DG(12:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,37.909607,5.721065402
2-Pentanol,CCCC(C)O,37.910324,41.81062579
"PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,37.917854,2.270263433
DG(22:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,37.91809,7.029240578
DG(20:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,37.91989,5.588813126
TG(12:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,37.92127,4.802636802
DG(14:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,37.922565,5.183058232
"PC(O-18:0/18:3(6Z,9Z,12Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,37.924274,5.186282098
TG(12:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,37.924744,4.802636802
TG(10:0/i-18:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,37.925194,4.802636802
"PIP(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,37.930466,1.22570768
"PC(O-16:0/18:3(6Z,9Z,12Z))",[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,37.934322,5.186282098
DG(i-16:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,37.93678,4.503183812
Iminodiacetate,OC(=O)CNCC(O)=O,37.945,3.916194662
DG(14:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC,37.945152,5.370846763
Ethyl glutarate,CCOC(=O)CCCC(=O)OCC,37.949104,34.22729075
TG(16:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,37.949768,4.802636802
"PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,37.959316,2.270263433
"PS(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,37.963737,2.270263433
TG(14:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,37.985535,4.802636802
TG(i-21:0/i-24:0/i-16:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C,37.988808,4.167598113
TG(12:0/i-21:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,37.99823,4.802636802
TG(a-21:0/i-19:0/i-13:0)[rac],CCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,38.00528,4.148359224
TG(12:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,38.014324,5.057617277
DG(18:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,38.01632,5.370846763
TG(19:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,38.025764,4.802636802
DG(18:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,38.029865,7.029240578
TG(i-14:0/a-25:0/a-21:0)[rac],CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,38.035885,5.488029122
TG(10:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,38.038643,4.802636802
DG(i-12:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,38.039497,6.668579578
"PIP(18:2(9Z,12Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.040344,1.59090627
TG(12:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,38.048927,4.802636802
TG(20:0/12:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,38.049908,4.802636802
"PC(O-18:0/20:3(8Z,11Z,14Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,38.06375,4.876318946
TG(12:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,38.065376,4.802636802
TG(i-21:0/i-24:0/i-12:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C,38.068027,4.353744537
TG(14:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,38.069614,4.802636802
"2,4-Dihydroxybutanoic acid",OCCC(O)C(O)=O,38.08065,5.238382518
DG(i-21:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,38.090645,5.438110232
DG(i-13:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,38.094097,6.668579578
TG(15:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,38.10276,4.802636802
TG(10:0/i-24:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,38.1053,4.802636802
TG(12:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,38.112457,4.802636802
4-Heptanone,CCCC(=O)CCC,38.11247,80.10411263
TG(12:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,38.11629,4.802636802
TG(i-21:0/a-21:0/i-18:0)[rac],CCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C,38.118015,4.167598113
TG(14:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,38.12155,4.802636802
TG(16:0/i-16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,38.122486,4.802636802
DG(i-14:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,38.123283,4.609746113
TG(i-24:0/i-18:0/i-12:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,38.124977,4.148359224
TG(18:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,38.132294,4.802636802
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O,38.137135,2.270263433
TG(12:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,38.137875,4.802636802
TG(15:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,38.148598,4.802636802
TG(18:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,38.150955,4.802636802
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC)C(O)=O,38.1521,2.270263433
"PIP(20:3(5Z,8Z,11Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.155876,1.33232642
DG(i-12:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,38.160805,4.39793691
"PIP(18:2(9Z,12Z)/20:1(11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.16099,1.669158041
TG(i-22:0/i-24:0/i-14:0),CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,38.16169,4.167598113
DG(16:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,38.1636,5.370846763
DG(15:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC,38.16597,6.529863924
TG(a-17:0/i-22:0/i-21:0)[rac],CCC(C)CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,38.17259,4.167598113
SM(d17:1/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CCCCCCCCCCCC,38.173683,3.862150759
SM(d18:1/23:0),CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CCCCCCCCCCCCC,38.17708,3.862150759
TG(14:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,38.178795,4.802636802
SM(d18:1/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CCCCCCCCCCCCC,38.179348,3.862150759
SM(d18:1/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CCCCCCCCCCCCC,38.18051,4.657857493
DG(13:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCC,38.18311,6.922450662
SM(d18:1/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CCCCCCCCCCCCC,38.184055,3.937713802
TG(i-18:0/i-22:0/i-14:0),CC(C)CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C,38.185085,4.148359224
SM(d18:1/26:0),CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CCCCCCCCCCCCC,38.18639,3.937713802
TG(15:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,38.18661,4.802636802
SM(d18:1/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CCCCCCCCCCCCC,38.18833,4.379476234
SM(d18:1/16:0),CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)\C=C\CCCCCCCCCCCCC,38.190636,4.657857493
TG(10:0/i-22:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,38.19111,4.802636802
"PIP2(18:3(9Z,12Z,15Z)/18:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,38.192486,1.425090339
"PS(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,38.19384,2.270263433
"PIP(18:2(9Z,12Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.19717,1.59090627
TG(15:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,38.199635,4.802636802
TG(14:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,38.20064,4.802636802
"PIP2(20:3(5Z,8Z,11Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.201164,1.425090339
DG(14:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,38.203823,5.721065402
"PIP2(20:3(5Z,8Z,11Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.205856,1.425090339
DG(14:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCC,38.20715,7.828702778
SM(d18:0/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCC,38.20941,3.516425565
PC(0:0/16:0),CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C,38.209515,3.937045857
SM(d18:0/23:0),CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCC,38.211887,3.516425565
TG(10:0/i-21:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,38.217407,4.802636802
DG(18:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,38.220375,5.370846763
SM(d18:0/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCC,38.220737,3.585224599
"PIP2(18:3(9Z,12Z,15Z)/18:1(11Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,38.220856,1.425090339
TG(18:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,38.23352,4.802636802
TG(21:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,38.238094,5.969008431
SM(d18:0/20:0),CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCC,38.24384,3.98744233
TG(a-21:0/i-20:0/i-20:0)[rac],CCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,38.245014,5.488029122
DG(i-12:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,38.251106,5.438110232
Oenanthic ether,CCCCCCC(=O)OCC,38.251236,91.53915644
SM(d18:0/18:0),CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)C(O)CCCCCCCCCCCCCCC,38.25198,4.240904003
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC)C(O)=O,38.256428,2.270263433
TG(10:0/i-17:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,38.257416,4.802636802
DG(12:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC,38.258217,8.455269039
DG(14:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCC,38.261314,8.455269039
Pyruvic acid,CC(=O)C(O)=O,38.2624,17.91241318
TG(19:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,38.263435,4.802636802
Methyl isobutyl ketone,CC(C)CC(C)=O,38.263668,57.23105073
TG(21:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,38.26574,5.969008431
3-Hexanone,CCCC(=O)CC,38.273285,77.9743433
TG(17:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,38.27636,4.802636802
TG(22:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,38.278366,4.802636802
3-Methyl-2-pentanone,CCC(C)C(C)=O,38.280437,74.28497076
"PIP(20:3(5Z,8Z,11Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.28678,1.33232642
TG(21:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,38.287052,5.969008431
TG(12:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,38.292492,4.81902808
SM(d18:1/24:1(15Z)(OH)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCCCC\C=C/CCCCCCCC,38.296043,4.250980914
TG(10:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,38.30446,4.802636802
"PS(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,38.305283,2.270263433
DG(i-15:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,38.307438,4.39793691
"PI(18:2(9Z,12Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,38.313805,1.362648979
DG(17:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCC,38.31603,6.529863924
DG(12:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,38.316612,5.4581929
DG(18:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,38.32169,5.721065402
"PI(18:2(9Z,12Z)/20:1(11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,38.321842,1.362648979
DG(20:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,38.32222,5.588813126
TG(12:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,38.324017,4.802636802
DG(12:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC,38.32828,8.455269039
DG(16:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCC,38.332397,7.828702778
TG(14:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,38.33594,4.802636802
TG(18:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,38.34876,4.81902808
SM(d18:1/22:1(13Z)(OH)),CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCC\C=C/CCCCCCCC,38.34961,4.150878266
DG(20:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC,38.375843,5.4581929
"PS(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,38.376526,2.270263433
DG(12:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC,38.38278,8.722634614
TG(15:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,38.385532,4.802636802
TG(13:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,38.405254,4.802636802
TG(12:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,38.40611,4.802636802
DG(15:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCC,38.408184,6.922450662
TG(a-21:0/a-25:0/i-14:0)[rac],CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,38.418423,5.488029122
TG(21:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,38.424953,4.802636802
"PS(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,38.42652,2.270263433
"PS(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,38.440292,2.270263433
TG(10:0/i-15:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,38.44459,5.722453445
"PI(20:3(5Z,8Z,11Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,38.44654,1.087670121
7b-Hydroxy-3-oxo-5b-cholanoic acid,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C(=O)CC2CC(=O)CC[C@]12C,38.45718,6.814847887
DG(i-24:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,38.457626,5.90515621
Acetylglycine,CC(=O)NCC(O)=O,38.4586,11.03422269
"PI(18:2(9Z,12Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,38.46339,1.362648979
"PIP2(16:2(9Z,12Z)/16:0)",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,38.46599,3.102659248
DG(15:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,38.483505,6.529863924
"PIP2(16:2(9Z,12Z)/18:0)",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,38.494827,2.25753244
DG(19:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC,38.496967,5.4581929
"PIP2(22:2(13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,38.501076,1.887632906
"PIP2(20:2(11Z,14Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,38.50535,1.887632906
"PIP2(18:2(9Z,12Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,38.508335,2.25753244
"PC(O-16:0/18:3(9Z,12Z,15Z))",[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,38.50934,5.186282098
"PC(O-18:0/18:3(9Z,12Z,15Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,38.51201,5.186282098
TG(13:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,38.515553,4.802636802
(±)-2-Methylbutanal,CCC(C)C=O,38.52677,51.16235614
TG(17:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,38.53032,4.802636802
"PIP2(18:2(9Z,12Z)/20:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCCCC,38.532223,1.887632906
"PIP2(20:2(11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,38.53591,1.887632906
"PIP2(18:2(9Z,12Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,38.537174,1.887632906
4-Methylpentanal,CC(C)CCC=O,38.537693,57.23105073
5-Aminolevulinic acid,NCC(=O)CCC(O)=O,38.541924,6.803932041
TG(16:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,38.54274,4.802636802
DG(10:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC,38.546265,14.44329768
Propionylglycine,CCC(=O)NCC(O)=O,38.546535,12.19588742
DG(22:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC,38.551453,5.588813126
"PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,38.556778,2.270263433
DG(21:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,38.567825,5.183058232
"PIP2(20:3(8Z,11Z,14Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.574226,1.425090339
LysoPC(20:0),CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,38.57444,7.127389312
PE(P-18:0/24:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,38.577732,4.718028381
PE(P-18:0/22:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,38.584774,4.718028381
"PIP2(18:3(6Z,9Z,12Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.585957,1.425090339
N-Butyrylglycine,CCCC(=O)NCC(O)=O,38.588856,12.70264536
"PIP2(18:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.59546,1.785373874
"PI(20:3(8Z,11Z,14Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,38.595776,1.087670121
PE(dm18:0/18:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,38.59912,4.718028381
DG(i-12:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,38.599762,5.90515621
"PIP(18:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@@]([H])(COC[C@@]([H])(O)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)COC(=O)CCCCCCCCCCCCCCCCC,38.60002,1.550678723
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC)C(O)=O,38.60063,2.155893296
PE(P-18:0/16:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,38.602787,5.339091644
"PIP2(20:3(8Z,11Z,14Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.60359,1.425090339
TG(14:0/i-19:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,38.60744,4.802636802
3-O-Sulfogalactosylceramide (d18:1/22:0),[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])OC([H])(CO)[C@]([H])(O)C([H])(OS(O)(=O)=O)C1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCCCC,38.610706,0.99880239
3-O-Sulfogalactosylceramide (d18:1/16:0),[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])OC([H])(CO)[C@]([H])(O)C([H])(OS(O)(=O)=O)C1([H])O)N=C(O)CCCCCCCCCCCCCCC,38.611443,1.348362211
LysoPC(14:0),CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,38.619038,6.878626347
11-Epi-PGF2a,[H]\C(CCCC(O)=O)=C(/[H])C[C@]1([H])[C@]([H])(O)C[C@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCCCC,38.620808,5.244977027
"PC(O-16:0/20:3(8Z,11Z,14Z))",CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,38.62665,5.186282098
3-O-Sulfogalactosylceramide (d18:1/14:0),[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])OC([H])(CO)[C@]([H])(O)C([H])(OS(O)(=O)=O)C1([H])O)N=C(O)CCCCCCCCCCCCC,38.62841,1.235919725
"PIP2(18:3(6Z,9Z,12Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.632282,1.425090339
2-Keto-glutaramic acid,NC(=O)CCC(=O)C(O)=O,38.635628,2.244601399
3-O-Sulfogalactosylceramide (d18:1/20:0),[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])OC([H])(CO)[C@]([H])(O)C([H])(OS(O)(=O)=O)C1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCC,38.638866,1.012889948
DG(10:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,38.640774,6.529863924
DG(10:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCC,38.643745,8.455269039
TG(13:0/i-21:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,38.645714,4.802636802
DG(14:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC,38.6485,7.828702778
"PIP2(16:0/22:4(7Z,10Z,13Z,16Z))",[H]C(CCCCC)=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.65013,1.425090339
TG(14:0/i-18:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,38.654343,4.802636802
TG(14:0/i-24:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,38.65937,5.057617277
"PIP2(16:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.662296,1.785373874
Phosphohydroxypyruvic acid,OC(=O)C(=O)COP(O)(O)=O,38.66751,0.985013507
Methylacetoacetic acid,COC(=O)CC(C)=O,38.674774,47.44600952
"PIP2(16:0/22:3(10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.68365,1.785373874
2-Acetolactate,CC(=O)C(C)(O)C(O)=O,38.68834,13.82187307
"PIP2(18:0/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.689224,1.785373874
DG(13:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCC,38.690994,8.644927293
"PIP2(18:0/18:3(9Z,12Z,15Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.697933,1.785373874
"PIP2(16:0/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.701275,1.785373874
PE(P-18:0/20:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,38.70149,4.718028381
TG(14:0/i-24:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,38.711464,4.81902808
TG(13:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,38.717525,4.802636802
TG(14:0/i-20:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,38.717987,4.802636802
Cyclohexanone,O=C1CCCCC1,38.719463,73.45622778
TG(20:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,38.72011,4.802636802
TG(19:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,38.723,4.802636802
"PIP2(18:0/18:3(6Z,9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.724045,1.785373874
TG(21:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,38.72437,5.969008431
TG(13:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,38.72882,4.802636802
TG(12:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,38.731995,4.802636802
TG(13:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,38.73369,4.802636802
TG(10:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,38.73498,4.802636802
PE(P-18:0/15:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,38.739483,4.943321273
"PIP(20:3(8Z,11Z,14Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.73955,1.33232642
"PI(18:3(6Z,9Z,12Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,38.74256,1.151447278
TG(14:0/i-22:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,38.74324,4.802636802
DG(10:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC,38.754326,7.828702778
TG(17:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,38.75507,4.802636802
15(S)-Hydroxyeicosatrienoic acid,CCCCC[C@H](O)\C=C\C=C/C\C=C/CCCCCCC(O)=O,38.756035,11.02440134
"SM(d18:1/22:2(13Z,16Z)(OH))",CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CC(O)CCCCCCCCC\C=C/C\C=C/CCCCC,38.75662,3.690964356
Gamma-Butyrolactone,O=C1CCCO1,38.75948,60.48403978
DG(12:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,38.77318,7.828702778
DG(12:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,38.77555,5.370846763
LysoPC(17:0),CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C,38.78315,5.192034692
Oxolan-3-one,O=C1CCOC1,38.783203,46.33591771
"SM(d18:0/22:3(10Z,13Z,16Z))",CCCCCCCCCCCCCCCC(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,38.7833,3.434227407
PC(P-18:1(11Z)/18:1(11Z)),CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.7932,5.212296918
PC(P-18:1(11Z)/24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.80424,4.321874678
"PC(O-18:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,38.80594,4.880240932
"PIP(20:3(8Z,11Z,14Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.80781,1.33232642
"1,2-Dioctadecanoyl-3-(galactosyl-B-1-6-galactosyl-B-1)-glycerol",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(CO[C@]1([H])O[C@@]([H])(CO[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,38.815304,2.122977562
TG(17:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,38.81736,4.802636802
TG(13:0/i-24:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,38.82096,4.802636802
PC(P-18:1(11Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.82933,4.900779203
"PC(O-20:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,38.83145,4.588568583
3-Sulfopyruvic acid,OC(=O)C(=O)CS(O)(=O)=O,38.833145,7.110059261
TG(14:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,38.834347,4.802636802
"PI(20:3(5Z,8Z,11Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,38.83821,1.087670121
PC(P-18:1(9Z)/24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.84218,4.321874678
TG(15:0/i-16:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,38.84563,4.802636802
TG(17:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,38.846443,4.802636802
DG(22:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,38.8489,6.92435056
TG(8:0/i-21:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,38.852486,4.802636802
16(R)-HETE,CCCC[C@@H](O)\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,38.852562,11.02440134
PC(P-18:1(9Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.85535,4.900779203
TG(17:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,38.860096,4.802636802
"PC(O-18:0/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,38.861015,4.588568583
"PC(O-16:0/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,38.86361,4.880240932
DG(20:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,38.870506,7.029240578
PC(P-18:1(11Z)/22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.875267,4.321874678
TG(14:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,38.87932,4.802636802
TG(19:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,38.88044,4.802636802
TG(14:0/i-17:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,38.88264,4.802636802
2-Ketobutyric acid,CCC(=O)C(O)=O,38.883633,20.97548991
TG(19:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,38.883633,4.802636802
DG(15:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,38.88486,5.4581929
"PC(O-20:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,38.885445,4.046543688
"PG(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,38.88561,2.546756715
8(S)-HPETE,CCCCC\C=C/C\C=C/C=C/[C@H](C\C=C/CCCC(O)=O)OO,38.887905,11.2220414
PC(P-18:1(11Z)/18:1(9Z)),CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.88837,5.212296918
"PIP(18:2(9Z,12Z)/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,38.89147,1.33232642
"PG(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,38.892784,2.546756715
"PI(20:3(8Z,11Z,14Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,38.89351,1.087670121
11(R)-HPETE,CCCCC\C=C/C=C/[C@@H](C\C=C/C\C=C/CCCC(O)=O)OO,38.90025,11.2220414
2-Oxovaleric acid,CCCC(=O)C(O)=O,38.904175,20.12751549
PC(P-18:1(9Z)/22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.91238,4.321874678
"PC(O-22:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,38.92131,4.046543688
PC(P-18:1(9Z)/18:1(9Z)),CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,38.93508,5.212296918
"PC(O-18:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,38.938168,4.588568583
TG(18:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,38.94019,4.802636802
15(S)-HETE,CCCCC[C@H](O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O,38.940758,11.02440134
"PC(O-16:0/22:4(7Z,10Z,13Z,16Z))",[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,38.941925,4.588568583
2-Methyl-3-ketovaleric acid,CCC(=O)C(C)C(O)=O,38.941944,20.2592656
11(R)-HETE,CCCCC\C=C/C=C\[C@H](O)C\C=C/C\C=C\CCCC(O)=O,38.94233,11.02440134
TG(8:0/i-20:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,38.94443,4.802636802
"PC(o-16:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,38.94936,4.880240932
12(R)-HPETE,CCCCC\C=C/C[C@@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O,38.951,11.2220414
DG(i-17:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,38.951004,4.176246747
DG(16:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,38.953976,5.721065402
TG(15:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,38.959118,4.802636802
PE(P-18:0/14:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,38.959797,5.066116899
DG(14:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,38.964394,5.370846763
15(S)-HPETE,CCCCC[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O,38.964466,11.2220414
19(S)-HETE,C[C@H](O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,38.964905,13.17351162
"PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,38.97856,2.546756715
"PG(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,38.994564,2.546756715
TG(18:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,38.99577,4.802636802
TG(8:0/i-21:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,38.997383,4.802636802
TG(19:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,38.99901,4.802636802
TG(19:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,39.003975,4.802636802
TG(19:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,39.00845,4.802636802
DG(18:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,39.01023,5.588813126
12(S)-HPETE,CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC(O)=O,39.02223,11.2220414
DG(i-16:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,39.025055,4.609746113
DG(i-22:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,39.032387,5.579292774
TG(19:0/21:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,39.035572,4.81902808
DG(i-12:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,39.039097,4.176246747
SM(d19:1/24:1(15Z)),CCCCCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,39.04128,3.937713802
TG(8:0/i-24:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,39.04381,4.802636802
3-Butyn-1-al,O=CCC#C,39.046062,48.28057885
18-Hydroxyarachidonic acid,CC[C@@H](O)CC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,39.05208,11.02440134
TG(16:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,39.06304,4.802636802
DG(i-18:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,39.064545,4.503183812
DG(i-14:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,39.071106,4.327557236
TG(8:0/i-19:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,39.075993,4.802636802
TG(21:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,39.079693,4.81902808
"PIP(16:2(9Z,12Z)/16:0)",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.081753,2.003563009
"PIP2(18:2(9Z,12Z)/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.081947,1.425090339
TG(17:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,39.082542,4.802636802
TG(17:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,39.08287,4.802636802
TG(8:0/i-19:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,39.08536,4.802636802
TG(8:0/i-20:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,39.087284,4.802636802
DG(i-20:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,39.087517,5.663807318
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC)C(O)=O,39.089577,2.155893296
"PS(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,39.09335,2.155893296
TG(17:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,39.10077,4.802636802
Cer(d18:1/14:0),CCCCCCCCCCCCC\C=C\C(O)[C@H](CO)NC(=O)CCCCCCCCCCCCC,39.102924,7.605812699
DG(i-19:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,39.10569,4.503183812
"PI(18:3(6Z,9Z,12Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.109917,1.151447278
DG(i-12:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,39.11197,4.609746113
"PIP2(20:3(5Z,8Z,11Z)/16:0)",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.111984,1.785373874
Dimethylmalonic acid,CC(C)(C(O)=O)C(O)=O,39.114483,16.93125516
"PIP(16:2(9Z,12Z)/18:0)",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.115845,1.696156338
"PGP(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,39.115993,1.577005908
SM(d17:1/24:1(15Z)),CCCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,39.117706,3.862150759
"PIP(20:3(5Z,8Z,11Z)/18:0)",[H]\C(CCCCCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COC[C@@]([H])(O)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.11791,1.550678723
"PIP2(22:3(10Z,13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.11989,1.785373874
DG(i-12:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,39.120094,4.327557236
"PI(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CC([H])=C([H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.12588,1.000629738
"PIP2(20:3(8Z,11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.131554,1.785373874
"PIP2(20:3(8Z,11Z,14Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.132053,1.785373874
DG(i-12:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,39.133247,5.579292774
"PIP2(18:3(9Z,12Z,15Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.13394,1.785373874
TG(17:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,39.13541,4.802636802
TG(8:0/i-18:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,39.13543,5.722453445
"PIP(22:2(13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.135548,1.681016199
"PIP(20:2(11Z,14Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.13646,1.602208428
"PIP2(18:3(6Z,9Z,12Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.14028,1.785373874
TG(12:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,39.140533,5.722453445
DG(i-12:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,39.142315,4.503183812
2-Methylcitric acid,CC(C(O)=O)C(O)(CC(O)=O)C(O)=O,39.145355,1.223728154
"PS(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,39.14904,2.155893296
"PIP2(20:3(5Z,8Z,11Z)/18:0)",[H]\C(CCCCCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.149845,1.785373874
SM(d16:1/24:1(15Z)),CCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,39.1546,3.862150759
"PIP(18:2(9Z,12Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.1566,1.696156338
TG(12:0/i-15:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,39.157864,4.802636802
DG(i-12:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,39.16104,5.663807318
TG(8:0/i-18:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,39.16343,4.802636802
SM(d18:1/18:1(9Z)),CCCCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC,39.163445,4.657857493
"PIP(18:0/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@@]([H])(COC[C@@]([H])(O)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)COC(=O)CCCCCCCCCCCCCCCCC,39.165985,1.550678723
1-Penten-3-ol,CCC(O)C=C,39.167736,32.97785521
DG(i-12:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,39.1678,4.503183812
Malondialdehyde,O=CCC=O,39.17309,51.49713755
"PIP(20:2(11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.173344,1.681016199
"PIP(16:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.176975,1.59090627
SM(d18:1/24:1(15Z)),CCCCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,39.180622,3.937713802
TG(16:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,39.183735,4.802636802
TG(13:0/i-14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,39.184147,4.802636802
SM(d18:1/18:1(11Z)),CCCCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCC\C=C/CCCCCC,39.18451,4.657857493
"PIP(18:2(9Z,12Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.18505,1.602208428
Pipecolic acid,OC(=O)C1CCCCN1,39.186985,10.95927134
TG(20:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,39.18808,4.81902808
"PGP(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,39.191185,1.740502194
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O,39.19563,2.155893296
"PIP2(16:0/20:4(5Z,8Z,11Z,14Z))",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.20204,1.425090339
TG(15:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,39.204403,4.802636802
PC(P-18:0/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,39.209614,6.075387076
"PS(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,39.211468,2.155893296
PE(P-16:0/24:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,39.217213,4.718028381
SM(d18:1/22:1(13Z)),CCCCCCCCCCCCC\C=C\C(O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,39.219692,3.862150759
"PIP(16:0/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.2206,1.59090627
TG(21:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,39.224613,4.802636802
"PIP(18:0/18:3(6Z,9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.2258,1.59090627
PC(P-18:0/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,39.226864,5.037521943
PA(16:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC,39.23084,6.054589152
"PS(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,39.233578,2.155893296
"PIP(18:0/18:3(9Z,12Z,15Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.23425,1.59090627
PC(P-16:0/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,39.236397,6.075387076
PA(16:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCC\C=C/CCCCCC,39.240334,6.054589152
PC(P-16:0/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,39.2409,5.712285638
"PIP(16:0/22:4(7Z,10Z,13Z,16Z))",[H]C(CCCCC)=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.241028,1.33232642
PC(P-18:0/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,39.241463,5.712285638
"PIP(20:3(8Z,11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COC[C@@]([H])(O)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.242218,1.550678723
DG(i-12:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,39.245125,7.572990656
PC(P-16:0/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,39.24615,6.075387076
"PIP(18:2(9Z,12Z)/20:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCCCC,39.247356,1.681016199
"PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,39.250214,2.155893296
PC(P-16:0/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,39.25166,6.075387076
TG(16:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,39.255657,4.802636802
TG(20:0/15:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,39.27389,4.802636802
PE(P-16:0/22:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,39.277275,4.718028381
TG(16:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,39.27904,4.802636802
"PS(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,39.283634,2.155893296
"PGP(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,39.292492,1.577005908
TG(16:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,39.29548,4.802636802
Oxalosuccinic acid,OC(=O)CC(C(O)=O)C(=O)C(O)=O,39.29755,1.185008511
PE(P-16:0/18:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,39.29793,5.339091644
TG(16:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,39.310272,4.802636802
Citramalic acid,CC(O)(CC(O)=O)C(O)=O,39.31098,2.045035921
TG(16:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,39.311466,4.802636802
TG(19:0/22:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,39.312134,4.81902808
TG(21:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,39.312843,5.057617277
Isocitric acid,OC(C(CC(O)=O)C(O)=O)C(O)=O,39.31464,1.23718977
3-Methyl-2-oxovaleric acid,CCC(C)C(=O)C(O)=O,39.32038,20.2592656
TG(20:0/20:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,39.320633,4.81902808
SM C16:1,CCCCCCC\C=C\CCCCCCC[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C\CCCCCC,39.32235,4.078277946
"PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,39.32513,2.155893296
TG(10:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,39.32513,4.802636802
Hydroxyacetone,CC(=O)CO,39.326134,34.69325006
PE(P-16:0e/16:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,39.33421,5.066116899
TG(14:0/i-19:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,39.33634,4.802636802
TG(10:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,39.33766,4.81902808
TG(13:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,39.340885,5.722453445
TG(8:0/i-22:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,39.341194,4.802636802
"PIP2(18:1(9Z)/18:3(9Z,12Z,15Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.3426,1.425090339
"PI(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CC([H])=C([H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.34326,1.000629738
TG(15:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,39.34719,4.802636802
"PIP2(18:0/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.35098,1.425090339
TG(14:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,39.351177,5.722453445
TG(10:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,39.352047,4.802636802
TG(21:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,39.355434,4.802636802
"PIP2(18:1(11Z)/18:3(9Z,12Z,15Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.35558,1.425090339
TG(17:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,39.355793,4.802636802
"PIP2(20:4(5Z,8Z,11Z,14Z)/16:0)",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.363373,1.425090339
TG(12:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,39.364777,5.722453445
PE(22:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,39.365906,3.911914676
Oxalic acid,OC(=O)C(O)=O,39.36625,11.91477105
"LysoPE(0:0/18:3(6Z,9Z,12Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,39.36676,1.003419422
TG(21:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,39.368244,4.802636802
"PIP(16:0/20:4(5Z,8Z,11Z,14Z))",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.36963,1.344326138
"PI(18:2(9Z,12Z)/22:2(13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.372475,1.090438385
TG(8:0/i-24:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,39.37538,4.802636802
"PIP(18:3(6Z,9Z,12Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.377174,1.59090627
TG(21:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,39.37817,5.057617277
"PIP(20:3(5Z,8Z,11Z)/16:0)",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.382744,1.59090627
"PIP2(16:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.384468,1.425090339
TG(16:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,39.384766,4.802636802
"PI(16:0/22:4(7Z,10Z,13Z,16Z))",[H]C(CCCCC)=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.38888,1.087670121
TG(15:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,39.389145,4.802636802
TG(8:0/i-22:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,39.397972,4.802636802
"PIP(18:3(9Z,12Z,15Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.405327,1.59090627
Ethylmethylacetic acid,CCC(C)C(O)=O,39.40825,32.93541372
PE(P-16:0/15:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,39.410923,5.066116899
TG(13:0/i-15:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,39.412395,4.802636802
"LysoPE(0:0/20:3(8Z,11Z,14Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,39.41321,1.276317704
TG(12:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,39.41331,5.722453445
TG(14:0/i-20:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,39.4154,4.802636802
PE(P-16:0/20:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,39.41606,4.718028381
TG(15:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,39.419724,4.802636802
"PIP2(16:0/22:4(10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.41992,1.425090339
"PIP(20:3(8Z,11Z,14Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.421062,1.59090627
TG(14:0/i-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,39.42134,4.802636802
TG(13:0/i-15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,39.423378,4.802636802
"PIP2(18:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.424667,1.425090339
PE(22:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,39.42946,3.911914676
TG(14:0/i-22:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,39.430496,4.81902808
"PI(18:2(9Z,12Z)/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.444218,1.087670121
TG(20:0/16:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,39.451145,4.802636802
"PIP2(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.453773,1.493126899
TG(12:0/i-24:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,39.454136,4.81902808
"LysoPE(0:0/20:3(5Z,8Z,11Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,39.456676,1.276317704
Ketoleucine,CC(C)CC(=O)C(O)=O,39.458538,20.96384466
"PGP(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,39.47447,1.910258457
3-O-Sulfogalactosylceramide (d18:1/26:1(17Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])OC([H])(CO)[C@]([H])(O)C([H])(OS(O)(=O)=O)C1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,39.47926,0.99880239
3-O-Sulfogalactosylceramide (d18:1/24:1(15Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])OC([H])(CO)[C@]([H])(O)C([H])(OS(O)(=O)=O)C1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,39.483765,0.99880239
3-O-Sulfogalactosylceramide (d18:1/18:1(9Z)),[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])OC([H])(CO)[C@]([H])(O)C([H])(OS(O)(=O)=O)C1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC,39.4851,1.012889948
TG(20:0/13:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,39.48621,4.802636802
TG(19:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,39.489265,4.81902808
"PI(16:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.492905,1.362648979
"PGP(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,39.49854,1.910258457
TG(22:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,39.500114,4.81902808
TG(10:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,39.505756,4.802636802
PE(P-16:0/14:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,39.506348,5.066116899
TG(20:0/17:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,39.50973,4.802636802
"PS(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,39.51052,2.155893296
"PI(18:0/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.51361,1.362648979
"PIP(18:0/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.51362,1.33232642
"PI(16:0/22:3(10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.51876,1.362648979
TG(14:0/i-16:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,39.529217,4.802636802
TG(10:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,39.529613,4.802636802
TG(15:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,39.53111,4.802636802
TG(13:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,39.54162,5.722453445
TG(21:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,39.54206,5.969008431
"PGP(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,39.550373,1.910258457
PE(20:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,39.551132,3.911914676
TG(14:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,39.553738,5.722453445
Isocaproic acid,CC(C)CCC(O)=O,39.55712,34.21663046
TG(8:0/i-17:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,39.561325,5.722453445
"PI(16:0/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.57471,1.362648979
"PIP(16:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.58201,1.344326138
"PI(18:0/18:3(6Z,9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.583523,1.362648979
Isovaleric acid,CC(C)CC(O)=O,39.585644,34.21663046
"PIP(18:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.586754,1.33232642
"PIP2(20:4(5Z,8Z,11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.590324,1.425090339
"PGP(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,39.59268,1.740502194
TG(14:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,39.59394,4.802636802
"PI(18:0/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.5985,1.362648979
TG(10:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,39.600224,4.802636802
Hydroxypyruvic acid,OCC(=O)C(O)=O,39.60464,10.66054627
"PIP(16:0/22:4(10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.605316,1.33232642
"PIP2(22:4(7Z,10Z,13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.60716,1.425090339
"PGP(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,39.608967,1.740502194
TG(20:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,39.613014,5.969008431
TG(18:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,39.61324,4.802636802
PE(20:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,39.61471,3.911914676
TG(13:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,39.615086,4.802636802
TG(22:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,39.617046,4.81902808
PE(22:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,39.617508,3.911914676
"PGP(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,39.61811,1.73081588
TG(8:0/i-21:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,39.620815,4.802636802
"PIP(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H]C(CC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,39.621807,1.22570768
Dihydroxyfumaric acid,OC(O)=C(O)C(=O)C(O)=O,39.629906,0.531851174
TG(20:0/19:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,39.63218,4.802636802
TG(8:0/i-17:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,39.63269,4.802636802
TG(8:0/i-21:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,39.634556,4.802636802
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C(O)=O,39.63459,2.155893296
TG(20:0/18:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,39.637993,4.802636802
"PC(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@]([H])(CO\C([H])=C(\[H])CCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,39.639793,4.066842049
TG(15:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,39.64536,4.802636802
"PI(18:0/18:3(9Z,12Z,15Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.64847,1.362648979
TG(8:0/i-24:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,39.650997,4.802636802
TG(22:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,39.657314,5.057617277
"PGP(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,39.664673,1.577005908
TG(19:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,39.66629,4.802636802
2-Methylacetoacetic acid,CC(C(C)=O)C(O)=O,39.66811,17.5212875
TG(18:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,39.66971,4.802636802
TG(20:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,39.669956,5.969008431
TG(19:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,39.67839,4.802636802
"PIP2(20:4(8Z,11Z,14Z,17Z)/16:0)",[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.68585,1.425090339
TG(13:0/i-15:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,39.68607,5.722453445
TG(22:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,39.694576,5.057617277
"PGP(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,39.70006,1.577005908
PE(15:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,39.71901,4.200528935
TG(15:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,39.721508,4.802636802
TG(19:0/a-25:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,39.723392,5.969008431
"PS(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,39.732956,2.155893296
TG(21:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,39.74805,5.057617277
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,39.753338,1.973194256
"PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,39.763664,1.973194256
TG(10:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,39.768417,5.057617277
TG(19:0/a-25:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,39.771164,5.969008431
"PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,39.773018,2.155893296
PE(22:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,39.7733,3.911914676
2-Keto-6-aminocaproate,NCCCCC(=O)C(O)=O,39.775875,4.731141403
Methylmalonic acid,CC(C(O)=O)C(O)=O,39.77637,15.88641256
"PI(16:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.779533,1.151447278
"LysoPE(0:0/18:3(9Z,12Z,15Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,39.78766,1.003419422
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C(O)=O,39.792706,2.155893296
TG(15:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,39.792896,4.802636802
"PGP(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,39.793945,1.330885664
TG(18:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,39.794277,4.802636802
TG(13:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,39.795547,4.802636802
TG(10:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,39.797733,4.802636802
"PGP(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,39.79815,1.577005908
"PGP(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,39.799404,1.330885664
TG(17:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,39.80239,4.802636802
"PGP(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,39.813133,1.577005908
Itaconic acid,OC(=O)CC(=C)C(O)=O,39.817883,18.24364811
TG(10:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,39.820362,4.802636802
TG(18:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,39.830746,4.802636802
"PI(18:1(11Z)/18:3(9Z,12Z,15Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.833046,1.151447278
"SM(d18:1/22:3(10Z,13Z,16Z))",[H][C@@](COP([O-])(=O)OCC[N+](C)(C)C)(NC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC,39.846897,3.231574595
"1,2-Dihydroxy-3-keto-5-methylthiopentene",CSCCC(=O)C(\O)=C\O,39.85049,23.44330251
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)C(O)=O,39.854946,1.973194256
TG(18:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,39.864567,4.802636802
TG(8:0/i-19:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,39.882156,4.802636802
"PGP(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,39.882862,1.577005908
TG(8:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,39.885845,4.802636802
"PS(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,39.88905,1.973194256
TG(8:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,39.89,5.057617277
TG(10:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,39.896782,4.802636802
TG(10:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,39.897167,4.802636802
Sulforaphane,CS(=O)CCCCN=C=S,39.897987,79.45504785
TG(14:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,39.898952,4.81902808
2-Methyl-3-hydroxybutyric acid,CC(O)C(C)C(O)=O,39.905994,15.41394442
"PI(18:1(9Z)/18:3(9Z,12Z,15Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,39.908165,1.151447278
"PIP(20:4(5Z,8Z,11Z,14Z)/16:0)",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.9098,1.344326138
TG(8:0/12:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,39.91175,5.722453445
5-Amino-2-oxopentanoic acid,NCCCC(=O)C(O)=O,39.91236,5.556004867
3-Methylsulfinylpropyl isothiocyanate,CS(=O)CCCN=C=S,39.913055,42.22917259
TG(14:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,39.916233,4.802636802
TG(21:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,39.916473,4.81902808
TG(10:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,39.917946,4.81902808
PE(22:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,39.919514,3.911914676
TG(12:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,39.921265,5.722453445
TG(16:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,39.9215,4.802636802
PC(P-16:0/14:1(9Z)),CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,39.92219,6.075387076
TG(12:0/i-24:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,39.923515,4.802636802
TG(8:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,39.93069,4.81902808
TG(10:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,39.93114,4.802636802
TG(18:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,39.931496,4.802636802
"PIP(20:4(5Z,8Z,11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.932182,1.33232642
4-Hydroxy-2-oxoglutaric acid,OC(CC(=O)C(O)=O)C(O)=O,39.93278,2.172035165
TG(10:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,39.934715,4.802636802
TG(10:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,39.935616,5.057617277
TG(12:0/i-17:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,39.948956,4.802636802
"PI(16:2(9Z,12Z)/18:0)",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,39.952248,1.45279821
TG(16:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,39.957783,4.802636802
PC(P-16:0/16:1(9Z)),CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,39.960777,6.075387076
PE(20:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,39.962013,3.911914676
TG(10:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,39.962715,4.81902808
TG(14:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,39.963444,4.802636802
TG(22:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,39.967926,4.802636802
TG(22:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,39.9749,4.802636802
PE(15:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,39.9753,4.718891531
TG(14:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,39.975964,5.057617277
PE(22:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,39.98048,3.911914676
TG(8:0/i-22:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,39.9913,4.802636802
"PI(16:2(9Z,12Z)/16:0)",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,39.994434,1.459453069
TG(10:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,39.995903,4.81902808
TG(12:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.001404,4.802636802
"PIP(22:4(7Z,10Z,13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.011005,1.33232642
TG(10:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,40.01188,5.057617277
TG(8:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.01556,5.057617277
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O,40.01877,1.973194256
PE(18:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,40.020252,3.911914676
TG(18:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,40.020985,4.802636802
TG(14:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,40.022034,5.057617277
"PGP(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.024082,1.577005908
TG(22:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.029526,5.057617277
Valproic acid,CCCC(CCC)C(O)=O,40.035805,37.58850098
TG(10:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,40.046547,4.802636802
2-Octenedioic acid,OC(=O)CCCC\C=C\C(O)=O,40.049923,22.55689204
"PI(20:2(11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.05121,1.372329704
"PI(18:2(9Z,12Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.055824,1.372329704
Ethylmalonic acid,CCC(C(O)=O)C(O)=O,40.0612,21.02087587
"PGP(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.06164,1.330885664
TG(18:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.06972,4.802636802
TG(18:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,40.071106,4.802636802
TG(8:0/14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,40.07495,4.802636802
TG(19:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.078156,4.81902808
"PI(20:2(11Z,14Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.08602,1.372329704
TG(20:0/12:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,40.089657,4.802636802
TG(15:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.090504,4.802636802
"PIP(18:2(9Z,12Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,40.090557,1.344326138
TG(14:0/i-20:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,40.09863,4.802636802
"PI(18:2(9Z,12Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.098667,1.45279821
"PIP(20:2(11Z,14Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,40.113396,1.33232642
PC(P-18:1(11Z)/16:1(9Z)),CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,40.11428,5.212296918
"PIP2(22:4(10Z,13Z,16Z,19Z)/16:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.114582,1.425090339
"PGP(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.12158,1.330885664
TG(8:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.121967,4.802636802
TG(8:0/i-17:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,40.124443,4.802636802
PC(P-16:0/18:1(11Z)),CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,40.124485,6.075387076
"PI(18:0/22:4(10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,40.125004,1.090438385
"PI(16:0/22:4(10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,40.12684,1.087670121
TG(13:0/i-15:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,40.12735,5.722453445
PC(P-18:0/14:1(9Z)),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,40.13045,6.075387076
"PIP2(20:4(8Z,11Z,14Z,17Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.131577,1.425090339
TG(21:0/a-13:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,40.133717,5.057617277
"PI(20:3(5Z,8Z,11Z)/18:0)",[H]\C(CCCCCCCC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.138172,1.362648979
PC(P-18:1(11Z)/14:1(9Z)),CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,40.13958,5.212296918
TG(8:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,40.142387,4.802636802
TG(8:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.144215,4.81902808
"PGP(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.14469,1.577005908
PE(20:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,40.1455,3.911914676
TG(15:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,40.14647,5.722453445
"PI(18:2(9Z,12Z)/20:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCCCC,40.14768,1.372329704
"PI(22:2(13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.150135,1.372329704
"PI(20:0/20:3(8Z,11Z,14Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,40.156902,1.090438385
TG(21:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,40.157608,4.841376841
PE(22:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,40.160305,3.911914676
TG(15:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,40.160698,4.802636802
TG(18:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,40.163185,4.81902808
"PI(18:0/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,40.163265,1.087670121
PE(20:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,40.16332,3.911914676
PE(15:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,40.163666,4.098714516
PC(P-18:1(9Z)/16:1(9Z)),CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,40.164215,5.212296918
TG(14:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,40.16452,4.802636802
TG(18:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,40.16491,4.802636802
TG(14:0/i-18:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,40.16674,4.802636802
Monoethyl malonic acid,CCOC(=O)CC(O)=O,40.168327,18.70418042
TG(15:0/i-16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,40.169415,4.802636802
"PGP(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.170807,1.330885664
TG(8:0/i-20:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,40.177937,4.802636802
TG(20:0/10:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.17905,4.802636802
"PI(18:0/22:4(7Z,10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,40.183346,1.090438385
TG(16:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,40.184185,4.802636802
"PGP(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.184284,1.330885664
TG(8:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,40.185814,5.722453445
TG(12:0/i-19:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,40.187702,4.802636802
"PGP(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.1906,1.330885664
PC(P-18:0/16:1(9Z)),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,40.19098,6.075387076
PC(P-16:0/18:1(9Z)),CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,40.193657,6.075387076
TG(10:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,40.193867,4.802636802
"2,3-Butanediol",CC(O)C(C)O,40.19876,20.06693482
TG(20:0/13:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,40.203583,4.802636802
TG(10:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,40.206196,4.802636802
TG(14:0/i-17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,40.208942,4.802636802
"PGP(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.209393,1.577005908
PC(P-18:1(9Z)/18:1(11Z)),CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,40.20957,5.212296918
"2,2-Dimethylsuccinic acid",CC(C)(CC(O)=O)C(O)=O,40.21572,18.3651045
TG(18:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,40.218807,4.802636802
TG(16:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.221176,4.802636802
TG(12:0/i-20:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,40.22473,4.802636802
"PI(20:0/20:4(5Z,8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,40.2286,1.090438385
TG(16:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,40.23058,4.802636802
Arachidonyl carnitine,[H]\C(CCCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@]([H])(CC(O)=O)C[N+](C)(C)C,40.23769,7.55546391
"PIP2(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CC([H])=C([H])CCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.241264,1.493126899
Maleylacetoacetic acid,OC(=O)CC(=O)CC(=O)\C=C/C(O)=O,40.242348,6.532709301
2-Oxo-4-methylthiobutanoic acid,CSCCC(=O)C(O)=O,40.249535,18.2430312
TG(14:0/i-19:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,40.250126,4.802636802
3-Sulfinylpyruvic acid,OC(=O)C(=O)CS(O)=O,40.253334,2.386078052
PE(16:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,40.255997,4.098714516
TG(15:0/i-14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,40.257473,4.802636802
3-Hexenedioic acid,OC(=O)C\C=C\CC(O)=O,40.25783,20.22588849
TG(17:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.257935,5.969008431
TG(21:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,40.265602,4.841376841
"PI(20:3(5Z,8Z,11Z)/16:0)",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.267147,1.362648979
4-Fumarylacetoacetic acid,OC(=O)CC(=O)CC(=O)\C=C\C(O)=O,40.271065,6.532709301
TG(17:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.27469,5.969008431
TG(8:0/i-18:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,40.27473,4.802636802
N4-Acetylaminobutanal,CC(=O)NCCCC=O,40.275826,47.6519078
PC(18:0/P-16:0),CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,40.278175,6.075387076
TG(14:0/i-22:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,40.283283,4.802636802
PC(18:0/P-18:0),CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,40.298664,6.075387076
"PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,40.299107,1.493126899
PC(22:0/P-18:0),CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,40.303772,5.037521943
PC(22:0/P-16:0),CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,40.3042,5.712285638
"PGP(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.30431,1.628028788
TG(8:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,40.30551,4.802636802
PC(16:0/P-16:0),CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,40.31017,6.075387076
PE(20:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,40.31233,3.911914676
TG(8:0/a-25:0/13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.312485,4.802636802
TG(8:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,40.313107,4.802636802
TG(16:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.316135,6.375283003
"PGP(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.31618,1.628028788
"PIP2(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,40.318714,1.493126899
PC(24:0/P-16:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,40.321247,5.037521943
TG(20:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,40.3224,4.81902808
PC(24:0/P-18:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,40.32263,5.037521943
TG(15:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,40.323734,4.802636802
Dihydroxyacetone,OCC(=O)CO,40.32466,14.41500038
PE(15:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,40.32666,3.911914676
PC(P-16:0/24:1(15Z)),CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,40.327168,5.037521943
PC(20:0/P-16:0),CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,40.33235,6.075387076
PC(20:0/P-18:0),CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,40.33306,5.712285638
"PGP(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.336407,1.628028788
TG(15:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,40.339684,4.802636802
"PGP(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.34027,1.628028788
"PGP(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.35026,1.628028788
TG(14:0/i-24:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,40.35308,4.802636802
TG(20:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,40.357838,5.057617277
Malonic semialdehyde,OC(=O)CC=O,40.36361,21.03968561
TG(21:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,40.374947,4.81902808
11-Dodecenoic acid,OC(=O)CCCCCCCCCC=C,40.37819,43.02332699
"PIP2(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.378304,1.493126899
TG(12:0/i-20:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,40.379654,4.802636802
"PIP(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",[H]C(CCCCC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.38496,1.22570768
TG(22:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,40.38561,4.802636802
TG(12:0/i-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,40.387383,4.802636802
"PI(20:4(5Z,8Z,11Z,14Z)/16:0)",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.3876,1.151447278
PC(P-18:0/18:1(11Z)),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,40.388393,6.075387076
TG(16:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.38909,5.969008431
Oxalacetic acid,OC(=O)CC(=O)C(O)=O,40.389553,1.789868623
TG(17:0/i-14:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,40.39114,4.802636802
TG(12:0/i-22:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,40.39372,4.802636802
TG(17:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.39623,6.375283003
PE(15:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,40.396347,4.098714516
"PGP(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.397526,1.628028788
TG(12:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,40.401554,4.802636802
TG(14:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.413227,4.802636802
TG(16:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.4187,4.841376841
TG(21:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,40.42291,4.802636802
PC(P-16:0/20:1(11Z)),CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,40.423286,6.075387076
TG(12:0/i-19:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,40.42707,4.802636802
Leucinic acid,CC(C)CC(O)C(O)=O,40.429882,17.21619964
"PGP(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.43424,1.628028788
Succinic acid semialdehyde,OC(=O)CCC=O,40.435135,20.63022554
TG(8:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,40.456486,4.81902808
TG(14:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,40.459938,4.802636802
TG(22:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,40.46295,5.057617277
PC(P-18:0/18:1(9Z)),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,40.466465,6.075387076
TG(10:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,40.46942,5.057617277
PE(18:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,40.47474,4.098714516
TG(12:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,40.475414,5.722453445
"PIP(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.47892,1.22570768
"PI(18:3(6Z,9Z,12Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.480927,1.362648979
"PI(22:3(10Z,13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.487686,1.362648979
TG(16:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,40.490448,4.802636802
"PIP(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,40.4929,1.22570768
"11,12,15-THETA",CCCCC[C@H](O)\C=C\C(O)C(O)C\C=C/C\C=C/CCCC(O)=O,40.496067,4.834623635
"PI(18:3(9Z,12Z,15Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.500572,1.362648979
"PI(20:3(8Z,11Z,14Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.502995,1.362648979
TG(8:0/i-19:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,40.504757,4.802636802
"PC(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.513695,4.588568583
Succinylacetone,CC(=O)CC(=O)CCC(O)=O,40.5147,17.92823225
TG(8:0/i-20:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,40.51747,4.802636802
TG(13:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.518593,4.841376841
"PC(O-22:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.518692,4.046543688
TG(22:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,40.51955,5.057617277
PE(18:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,40.52849,3.911914676
TG(12:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,40.528896,5.722453445
"CDP-DG(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,40.53103,1.268513594
5-HPETE,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C([H])=C([H])[C@@]([H])(CCCC(O)=O)OO,40.531445,11.2220414
"PC(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.53301,4.046543688
9-Decenoic acid,OC(=O)CCCCCCCC=C,40.534695,36.40099764
"PI(20:3(8Z,11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.535374,1.362648979
"PIP(22:4(10Z,13Z,16Z,19Z)/16:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.53642,1.33232642
TG(15:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,40.541298,4.802636802
TG(12:0/i-18:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,40.547634,4.802636802
TG(12:0/i-22:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,40.548626,4.802636802
"PIP(20:4(8Z,11Z,14Z,17Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.54891,1.33232642
"PIP(20:4(8Z,11Z,14Z,17Z)/16:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.550797,1.344326138
"PIP(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,40.555557,1.22570768
TG(20:0/8:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,40.56054,4.802636802
TG(17:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,40.561665,4.802636802
TG(8:0/i-24:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,40.565952,4.81902808
"CDP-DG(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,40.567787,1.268513594
PC(P-18:0/24:1(15Z)),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,40.57105,5.037521943
TG(18:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,40.57173,4.802636802
TG(16:0/i-14:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,40.571785,4.802636802
TG(15:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,40.573395,4.802636802
"PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.577305,2.307523973
PE(15:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,40.579445,3.911914676
Citric acid,OC(=O)CC(O)(CC(O)=O)C(O)=O,40.591022,1.024726406
PC(P-18:0/20:1(11Z)),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,40.595837,5.712285638
"2,3-Dimethyl-3-hydroxyglutaric acid",CC(C(O)=O)C(C)(O)CC(O)=O,40.597992,1.879207045
N-Acetyl-D-glucosamine,[H]OC([H])([H])[C@]1([H])O[C@@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H],40.604385,4.352724925
"3,3-Dimethylglutaric acid",CC(C)(CC(O)=O)CC(O)=O,40.607643,21.52910382
3-Deoxyfructose,[H]OC([H])([H])C(=O)C([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H],40.60899,3.29493843
"PC(O-16:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.619274,4.588568583
"PG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.62103,2.307523973
"PC(O-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.621918,4.046543688
TG(22:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,40.622272,4.802636802
TG(8:0/i-22:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,40.624645,4.802636802
PC(P-18:0/22:1(13Z)),CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,40.636585,5.037521943
TG(14:0/i-17:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,40.636723,4.802636802
PE(14:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,40.637283,4.718891531
PE(18:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,40.641132,3.911914676
TG(13:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.644855,4.841376841
TG(8:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,40.645916,4.802636802
2-Keto-6-acetamidocaproate,CC(=O)NCCCCC(=O)C(O)=O,40.64607,5.962955952
Oxoglutaric acid,OC(=O)CCC(=O)C(O)=O,40.649887,4.134038091
TG(18:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,40.65269,4.81902808
TG(13:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.653053,5.057617277
TG(16:0/a-25:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.654453,4.841376841
"LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,40.656788,1.329899579
TG(10:0/i-24:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,40.678238,4.802636802
TG(8:0/i-15:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,40.68006,5.722453445
PE(18:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,40.683296,3.911914676
8-Methylnonenoate,CC(C)\C=C\CCCCC(O)=O,40.686275,36.40099764
"PI(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H]C(CC)=C([H])CC([H])=C([H])CC([H])=C([H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,40.689713,1.000629738
Traumatic acid,OC(=O)CCCCCCCC\C=C\C(O)=O,40.70152,45.12459636
PE(16:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,40.7213,4.718891531
TG(8:0/i-18:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,40.724873,4.802636802
Gamma-delta-Dioxovaleric acid,OC(=O)CCC(=O)C=O,40.72527,16.73591286
"PI(20:2(11Z,14Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,40.73851,1.087670121
"PI(22:2(13Z,16Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,40.741184,1.090438385
"PC(O-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.747265,4.046543688
PE(20:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,40.75538,3.911914676
3-Hydroxyisoheptanoic acid,CC(C)CC(O)CC(O)=O,40.758255,18.31578463
2-Ethylhydracrylic acid,CCC(CO)C(O)=O,40.76131,15.76897949
"LysoPE(0:0/20:3(11Z,14Z,17Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC,40.762802,1.276317704
"PI(20:2(11Z,14Z)/20:2(11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,40.7639,1.090438385
Acetoacetic acid,CC(=O)CC(O)=O,40.77896,20.63022554
TG(8:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,40.788734,4.802636802
"LysoPE(0:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,40.81142,1.591509953
PE(16:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,40.81385,3.911914676
TG(8:0/i-17:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,40.814026,4.802636802
PE(16:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,40.81586,3.911914676
TG(16:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.82122,4.802636802
Levulinic acid,CC(=O)CCC(O)=O,40.822624,20.63022554
TG(16:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,40.82413,4.802636802
"LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.836906,1.591509953
PC(o-14:0/16:1(9Z)),CCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,40.846992,6.075387076
TG(15:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.847023,6.375283003
PC(o-16:0/16:1(9Z)),CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,40.847305,6.075387076
PC(o-16:0/14:1(9Z)),CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,40.852222,6.075387076
PE(18:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,40.855743,3.911914676
TG(12:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,40.85681,4.802636802
"PI(20:4(5Z,8Z,11Z,14Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,40.85973,1.087670121
4-Hydroxyisovaleric acid,CC(CO)CC(O)=O,40.861202,16.4038226
Propylene glycol,CC(O)CO,40.86596,20.47683746
"PI(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",[H]C(CCCCC)=C([H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.875168,1.000629738
TG(15:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,40.87706,6.375283003
"PI(20:4(5Z,8Z,11Z,14Z)/20:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCCCC,40.88342,1.090438385
"PI(22:4(7Z,10Z,13Z,16Z)/16:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,40.888203,1.087670121
PE(15:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,40.888615,3.911914676
2-Hydroxyglutarate,OC(CCC(O)=O)C(O)=O,40.89252,1.515521389
cis-4-Octenedioic acid,OC(=O)CC\C=C/CCC(O)=O,40.894894,29.83718812
Oxoadipic acid,OC(=O)CCCC(=O)C(O)=O,40.898094,4.262137413
PE(14:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,40.900757,4.098714516
PC(o-18:1(11Z)/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,40.90952,6.075387076
TG(18:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,40.912598,4.802636802
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.9155,1.130926516
PC(o-22:0/20:1(11Z)),CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,40.928482,5.037521943
PE(16:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,40.929607,3.911914676
TG(19:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,40.930603,4.802636802
TG(17:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.93686,4.802636802
Glutarate semialdehyde,OC(=O)CCCC=O,40.956177,20.63022554
PE(14:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,40.958828,3.911914676
2-Oxohexane,CCCCC(C)=O,40.96054,57.53737092
PC(o-18:1(9Z)/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,40.96066,6.075387076
PC(o-18:1(9Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,40.96259,6.075387076
2-Hydroxyadipic acid,OC(CCCC(O)=O)C(O)=O,40.96384,2.42152568
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.964752,1.130926516
PE(14:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,40.96591,4.718891531
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,40.96714,1.144037209
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,40.972458,1.130926516
TG(12:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,40.982914,4.802636802
TG(18:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,40.98433,4.802636802
PC(o-18:1(9Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,40.986286,5.037521943
"LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))",[H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,40.991604,2.355914749
TG(17:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,40.994003,4.802636802
"PI(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H]C(CCCCC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,40.999462,1.000629738
Ethyladipic acid,CCC(CCCC(O)=O)C(O)=O,41.01185,24.54036921
TG(12:0/i-17:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,41.020386,4.802636802
TG(10:0/i-24:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,41.02366,4.802636802
TG(8:0/i-21:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,41.02371,5.722453445
Hepoxilin B3,[H]C(CCCC(O)=O)=C([H])C\C([H])=C(\[H])[C@@]([H])(O)[C@@]1([H])O[C@@]1([H])C\C([H])=C(\[H])CCCCC,41.02429,11.75725833
TG(8:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,41.025867,5.722453445
TG(18:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,41.028835,4.802636802
Glutarylglycine,OC(=O)CCCC(=O)NCC(O)=O,41.029507,1.120987814
PE(18:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,41.032566,3.911914676
PE(16:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,41.033028,3.911914676
TG(18:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.03458,4.81902808
TG(15:0/i-14:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,41.038578,4.802636802
"PI(18:3(9Z,12Z,15Z)/18:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,41.039196,1.151447278
TG(17:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,41.057903,4.802636802
PC(o-16:1(9Z)/16:1(9Z)),CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,41.058403,6.075387076
TG(22:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.058743,4.81902808
3-Mercaptopyruvic acid,OC(=O)C(=O)CS,41.066315,20.98500878
N-Carboxyethyl-g-aminobutyric acid,OC(=O)CCCNCCC(O)=O,41.06761,3.386471048
"PI(18:3(9Z,12Z,15Z)/18:1(11Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,41.069675,1.151447278
TG(14:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,41.070877,5.722453445
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,41.0867,1.130926516
TG(19:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,41.09131,4.802636802
Malonic acid,OC(=O)CC(O)=O,41.091362,15.74739516
TG(13:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,41.10141,4.841376841
TG(20:0/10:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.117516,5.057617277
TG(13:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,41.117714,5.057617277
2-Heptanone,CCCCCC(C)=O,41.119564,58.99893045
TG(10:0/i-19:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,41.121475,4.802636802
TG(12:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,41.128365,4.802636802
PE(14:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,41.129814,3.911914676
TG(8:0/i-24:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,41.13072,4.802636802
TG(10:0/i-19:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,41.131775,4.802636802
TG(12:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,41.134758,4.802636802
TG(18:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,41.142845,5.969008431
TG(10:0/i-20:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,41.148777,4.802636802
Succinic acid,OC(=O)CCC(O)=O,41.15483,18.21677387
TG(15:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.179195,4.802636802
TG(13:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,41.185474,4.841376841
TG(10:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,41.186085,5.722453445
TG(21:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,41.186634,4.841376841
TG(15:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,41.189392,4.841376841
TG(19:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.198208,4.802636802
3-Oxoadipic acid,OC(=O)CCC(=O)CC(O)=O,41.20035,3.498056158
TG(12:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,41.202927,4.802636802
TG(12:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,41.203125,4.81902808
"CL(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,41.2038,1.130926516
TG(8:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,41.206043,4.802636802
PC(o-16:1(9Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.22534,6.075387076
"PI(20:4(8Z,11Z,14Z,17Z)/16:0)",[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,41.23509,1.151447278
PC(o-16:1(9Z)/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.23894,6.075387076
TG(12:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,41.244217,5.057617277
2-Methylglutaric acid,CC(CCC(O)=O)C(O)=O,41.248184,18.62435192
PE(16:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,41.2487,3.911914676
TG(13:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,41.250206,5.057617277
TG(10:0/i-20:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,41.259945,4.802636802
TG(10:0/i-18:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,41.262016,4.802636802
TG(14:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.26527,5.722453445
TG(13:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,41.26786,4.802636802
PE(14:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,41.272053,4.098714516
TG(18:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,41.27597,5.969008431
TG(8:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,41.283607,4.802636802
Malic acid,OC(CC(O)=O)C(O)=O,41.290615,1.63517613
TG(14:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,41.291847,5.722453445
2-Hydroxyvaleric acid,CCCC(O)C(O)=O,41.294174,16.26320332
"CL(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,41.30469,1.130926516
PC(24:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,41.306007,4.737499729
"PI(22:4(7Z,10Z,13Z,16Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,41.307747,1.090438385
PC(21:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,41.31078,5.609514192
"PI(22:4(10Z,13Z,16Z,19Z)/16:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,41.315193,1.087670121
"PI(22:4(10Z,13Z,16Z,19Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,41.317295,1.090438385
"PI(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.320164,1.000629738
TG(15:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,41.322525,5.722453445
2-Nonanone,CCCCCCCC(C)=O,41.326916,59.89301801
"PI(20:4(8Z,11Z,14Z,17Z)/20:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCCCC,41.338135,1.090438385
"PI(20:4(8Z,11Z,14Z,17Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,41.338688,1.087670121
"2,3-Dihydroxyvaleric acid",CCC(O)C(O)C(O)=O,41.349,6.844390184
TG(12:0/i-20:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,41.35522,4.802636802
PC(P-18:1(9Z)/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.360893,5.037521943
"13,14-Dihydro PGF2a",CCCCCC(O)CCC1C(O)CC(O)C1C\C=C\CCCC(O)=O,41.36141,5.074167624
"PC(o-18:2(9Z,12Z)/22:0)",CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.363426,5.037521943
3-Hydroxyadipic acid,OC(CCC(O)=O)CC(O)=O,41.365284,1.582775638
TG(10:0/i-18:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,41.370445,4.802636802
PC(P-18:1(9Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.370575,6.075387076
"PC(o-18:2(9Z,12Z)/20:0)",CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.371243,5.712285638
PC(P-18:1(11Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.373074,6.075387076
"PC(o-18:2(9Z,12Z)/24:0)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.380424,5.037521943
TG(14:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,41.380592,4.802636802
PC(P-18:1(11Z)/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.38137,5.712285638
PE(14:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,41.383274,3.911914676
TG(12:0/i-18:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,41.385937,4.802636802
TG(13:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,41.390266,5.722453445
PC(P-18:1(9Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.39096,5.037521943
PC(P-18:1(11Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.399754,5.037521943
PC(P-18:1(11Z)/14:0),CCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.402927,6.075387076
"PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,41.40502,1.000629738
PC(P-18:1(11Z)/15:0),CCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.40504,6.075387076
TG(10:0/i-22:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,41.408955,4.802636802
"PI(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,41.40909,1.000629738
PC(P-18:1(9Z)/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,41.410637,6.075387076
TG(12:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,41.41065,5.722453445
"PI(18:2(9Z,12Z)/22:3(10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,41.411777,1.00317644
"PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,41.413055,1.000629738
2-Ethyl-4-methyl-1-pentanol,[H]OC([H])([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],41.41668,43.20140183
TG(21:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.420723,4.802636802
Methylsuccinic acid,CC(CC(O)=O)C(O)=O,41.42285,18.93775314
TG(8:0/i-19:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,41.4247,4.802636802
TG(8:0/i-20:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,41.429398,4.802636802
TG(13:0/a-25:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,41.43073,5.057617277
15-Methylhexadecanoic acid,CC(C)CCCCCCCCCCCCCC(O)=O,41.43496,33.07811022
(E)-2-octenal,[H]C(=O)C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],41.44048,81.42750263
Monomethyl glutaric acid,COC(=O)CCCC(O)=O,41.441162,16.77346975
3-Oxohexanoic acid,CCCC(=O)CC(O)=O,41.44389,17.91900694
TG(20:0/14:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,41.445786,4.802636802
TG(12:0/i-19:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,41.44742,4.802636802
(E)-3-decen-1-ol,[H]OC([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],41.45286,40.78172743
"PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,41.478497,4.880240932
TG(12:0/i-24:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,41.48017,4.802636802
Corticosterone,[H]OC([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])[C@@]([H])(O[H])C([H])([H])[C@]12C([H])([H])[H],41.482265,13.24467212
13-Heptadecyn-1-ol,[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C#CC([H])([H])C([H])([H])C([H])([H])[H],41.487072,38.08585107
TG(12:0/i-22:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,41.48863,4.802636802
TG(8:0/i-19:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,41.490566,5.722453445
Glutaric acid,OC(=O)CCCC(O)=O,41.49192,19.0525949
6-Methylnicotinamide,[H]N([H])C(=O)C1=C(N=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H],41.495148,15.73092341
"PIP2(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.49544,1.493126899
"1,3-Diisopropylbenzene",[H]C1=C([H])C(=C([H])C(=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H],41.49856,43.06072891
"2,4-Di-tert-butylphenol",[H]OC1=C(C([H])=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])[H],41.49859,23.51750433
3-Hydroxybutyric acid,CC(O)CC(O)=O,41.500324,18.13536584
TG(10:0/i-22:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,41.503883,4.802636802
2-Methyl-2-phenyl-undecane,[H]C1=C([H])C([H])=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H],41.505836,33.41718912
"PI(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC,41.508698,1.000629738
TG(18:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,41.508755,6.375283003
TG(8:0/i-20:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,41.517853,4.802636802
Isobutanol,CC(C)CO,41.5183,35.81900895
"PIP2(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.523563,1.493126899
"PI(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC,41.532337,1.00317644
"PI(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.533978,1.00317644
16-Methylheptadecanoic acid,CC(C)CCCCCCCCCCCCCCC(O)=O,41.537987,33.07811022
TG(10:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,41.542923,4.802636802
TG(8:0/i-18:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,41.551834,4.802636802
TG(8:0/i-18:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,41.562286,5.722453445
TG(10:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,41.564316,4.802636802
TG(13:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,41.57324,5.057617277
TG(13:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,41.575825,4.81902808
TG(17:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,41.5762,4.802636802
2-Ketohexanoic acid,CCCCC(=O)C(O)=O,41.576252,16.25817269
"PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,41.577724,4.588568583
4-Hydroxyretinoic acid glucuronide,C\C(\C=C\C1=C(C)C(CCC1(C)C)OC1OC(C(O)C(O)C1O)C(O)=O)=C/C=C/C(/C)=C/C(O)=O,41.5788,0.627113925
"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,41.579655,1.130926516
TG(14:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,41.582058,4.802636802
TG(8:0/i-22:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,41.584595,4.802636802
TG(8:0/i-24:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,41.58762,4.802636802
TG(15:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.5888,5.722453445
TG(16:0/i-12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,41.590908,4.802636802
Not Found,[H]OC([H])([H])[C@]12C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])C1=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H],41.592907,5.262891948
TG(14:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,41.594273,4.802636802
5-Hydroxyhexanoic acid,CC(O)CCCC(O)=O,41.59514,17.2475636
"PI(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC,41.595432,1.000629738
TG(16:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,41.604958,4.802636802
"PI(20:4(8Z,11Z,14Z,17Z)/18:1(11Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC,41.60778,1.000629738
"PI(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,41.609394,1.00317644
"2,3-Dihydrobenzofuran",[H]C1=C([H])C([H])=C2C(OC([H])([H])C2([H])[H])=C1[H],41.614002,34.37317908
TG(12:0/i-17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,41.61758,4.802636802
4-Ketoretinoic acid glucuronide,C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(=O)OC1OC(C(O)C(O)C1O)C(O)=O,41.618893,0.662184041
TG(12:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,41.623608,4.802636802
TG(13:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,41.625233,4.802636802
TG(20:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,41.62572,5.969008431
"PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.642845,1.000629738
"PI(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,41.645706,1.00317644
"PI(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.653503,1.000629738
"CL(18:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,41.658512,1.130926516
"PI(22:3(10Z,13Z,16Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.669228,1.00317644
TG(17:0/i-12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,41.673473,4.802636802
"PIP2(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.674145,1.493126899
TG(13:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,41.67524,4.841376841
TG(16:0/a-21:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,41.68994,4.81902808
TG(10:0/i-15:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,41.696037,4.802636802
"PIP(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.703037,1.22570768
TG(10:0/i-17:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,41.70478,5.722453445
3-Hydroxyglutaric acid,OC(CC(O)=O)CC(O)=O,41.713135,2.347057313
"PIP(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.714935,1.22570768
3-Hydroxyvaleric acid,CCC(O)CC(O)=O,41.71644,19.3797335
TG(20:0/10:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,41.72179,4.802636802
TG(8:0/i-22:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,41.723797,4.802636802
2-Hydroxycaproic acid,CCCCC(O)C(O)=O,41.730858,17.40615517
TG(17:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,41.75511,5.057617277
"PI(20:1(11Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.755966,1.00317644
"PI(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.75907,1.000629738
TG(12:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,41.76135,4.802636802
Methylglutaric acid,CC(CC(O)=O)CC(O)=O,41.761772,22.84332663
"all-trans-5,6-Epoxyretinoic acid",C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(O)=O,41.76811,15.51799029
TG(14:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,41.78703,4.802636802
"PI(18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.787262,1.000629738
TG(10:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,41.79879,4.802636802
TG(10:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,41.803135,4.802636802
TG(12:0/i-17:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,41.8036,4.802636802
TG(8:0/i-17:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,41.808014,5.722453445
TG(16:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,41.810482,5.057617277
"PI(22:3(10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",[H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,41.813385,0.908941869
3-Hydroxysuberic acid,OC(CCCCC(O)=O)CC(O)=O,41.8176,1.720487885
TG(22:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,41.82066,4.841376841
"PIP(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.826374,1.22570768
(S)-2-Methyl-1-butanol,CCC(C)CO,41.831017,38.98082972
"PIP(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.833908,1.22570768
TG(14:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,41.851696,5.722453445
Thiodiacetic acid,OC(=O)CSCC(O)=O,41.85245,14.60914463
"PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))",[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.858677,1.493126899
TG(20:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,41.859863,6.375283003
"PIP2(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.866146,1.493126899
"PIP(20:4(5Z,8Z,11Z,14Z)/18:1(11Z))",[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.86825,1.22570768
TG(15:0/i-14:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,41.878292,4.802636802
PC(P-18:0/P-18:1(11Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,41.886986,4.152981937
TG(13:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,41.89052,4.81902808
"PIP2(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.905094,1.493126899
3-Hydroxymethylglutaric acid,OCC(CC(O)=O)CC(O)=O,41.916134,2.267578058
"PIP2(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.9282,1.493126899
Retinoic acid,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,41.933914,13.45232427
TG(14:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,41.93433,4.802636802
"PIP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.936172,1.22570768
"PIP(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.937035,1.22570768
TG(8:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,41.938972,4.802636802
TG(18:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,41.94178,4.802636802
13-cis-Retinoic acid,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O,41.94368,13.45232427
PC(P-18:0/P-18:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,41.94726,4.152981937
"PIP(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))",[H]\C(CCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,41.954674,1.22570768
TG(10:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,41.956207,4.802636802
TG(19:0/a-25:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,41.96495,5.969008431
"(S)-3,4-Dihydroxybutyric acid",OCC(O)CC(O)=O,41.966255,7.497280836
PC(P-16:0/P-16:0),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,41.9676,4.388554394
all-trans-18-Hydroxyretinoic acid,C\C(\C=C\C1=C(CO)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,41.971554,12.92910427
TG(8:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,41.986675,4.802636802
PE-NMe(16:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCC\C=C/CCCCCCCC,41.988785,7.963077724
PC(P-18:1(9Z)/P-18:0),[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,41.989075,4.152981937
TG(15:0/a-25:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,41.997826,5.057617277
TG(8:0/i-20:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,42.0094,5.722453445
TG(8:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,42.017494,4.802636802
PC(P-16:0/P-18:1(11Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,42.018406,4.152981937
9-cis-Retinoic acid,C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O,42.019455,13.45232427
PC(P-18:1(11Z)/P-18:0),[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCCCC,42.02036,4.152981937
2-Hydroxydecanedioic acid,OC(CCCCCCCC(O)=O)C(O)=O,42.021225,2.687360346
TG(8:0/a-25:0/17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.022537,4.802636802
PC(P-18:1(9Z)/P-16:0),[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,42.02674,4.152981937
TG(8:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,42.02762,4.802636802
TG(10:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,42.02983,4.81902808
TG(8:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,42.032597,4.802636802
TG(8:0/i-17:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,42.03532,5.722453445
TG(18:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,42.0375,4.802636802
TG(15:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,42.05042,4.802636802
Glyceraldehyde,OCC(O)C=O,42.050533,16.16496444
"PI(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,42.050747,1.00317644
TG(12:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,42.05108,5.722453445
PC(P-18:1(11Z)/P-16:0),[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCCCCCCCC,42.06442,4.152981937
TG(10:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,42.074444,4.802636802
4-oxo-Retinoic acid,C\C(\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,42.076473,15.12156129
2-Keto-L-gluconate,OCC(O)C(O)C(O)C(=O)C(O)=O,42.08138,1.33415116
"PI(18:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,42.08283,1.00317644
Isoacitretin,COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C/C(O)=O)C(C)=C1,42.083397,12.42959052
PC(15:0/P-18:1(9Z)),CCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,42.085262,6.075387076
Glycerol,OCC(O)CO,42.08601,7.7326186
"PIP2(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O,42.088406,1.493126899
PC(16:0/P-18:1(9Z)),CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,42.089005,6.075387076
PC(18:0/P-18:1(9Z)),CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,42.089066,6.075387076
Retinyl ester,CC1CCCC(C)(C)C1\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O,42.092896,15.44485688
PC(14:0/P-18:1(9Z)),CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,42.095776,6.075387076
TG(8:0/i-24:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,42.099815,4.802636802
TG(8:0/i-18:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,42.099987,5.722453445
5-Keto-D-gluconate,OCC(=O)C(O)C(O)C(O)C(O)=O,42.100468,1.196894608
PC(24:0/P-18:1(9Z)),CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,42.100544,5.037521943
PC(22:0/P-18:1(9Z)),CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,42.10227,5.037521943
TG(12:0/i-24:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,42.103153,4.802636802
PC(15:0/P-18:1(11Z)),CCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,42.10375,6.075387076
PC(18:0/P-18:1(11Z)),CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,42.104786,6.075387076
PC(P-16:0/P-18:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,42.104855,4.152981937
Adipic acid,OC(=O)CCCCC(O)=O,42.104874,21.15926147
PC(20:0/P-18:1(9Z)),CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,42.107975,5.712285638
TG(16:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.108833,4.841376841
PC(16:0/P-18:1(11Z)),CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,42.109085,6.075387076
TG(10:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,42.109398,4.802636802
TG(8:0/i-19:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,42.111813,5.722453445
TG(17:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,42.114365,4.802636802
PC(14:0/P-18:1(11Z)),CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,42.11719,6.075387076
PC(22:0/P-18:1(11Z)),CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,42.11748,5.037521943
TG(16:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.117676,4.841376841
PC(20:0/P-18:1(11Z)),CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,42.122787,5.712285638
PC(24:0/P-18:1(11Z)),CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,42.123173,5.037521943
TG(8:0/i-22:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,42.125465,4.802636802
4-Hydroxyretinoic acid,C\C(\C=C\C1=C(C)C(O)CCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,42.127346,13.51708472
TG(19:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,42.150303,4.802636802
MG(18:1(9Z)/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC,42.15706,10.4070738
TG(19:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,42.16016,5.057617277
TG(16:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,42.165478,4.802636802
TG(17:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.168903,4.841376841
TG(12:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,42.16956,4.802636802
TG(20:0/12:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,42.17061,4.802636802
TG(10:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,42.17503,5.722453445
MG(16:1(9Z)/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCCCC,42.177216,18.19789112
DG(O-16:0/18:1(9Z)),[H][C@@](CO)(COCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,42.1811,6.566736847
TG(12:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,42.182076,5.722453445
TG(19:0/a-21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.183052,6.375283003
TG(15:0/i-12:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,42.18441,4.802636802
TG(19:0/a-21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.189224,6.375283003
MG(14:1(9Z)/0:0/0:0),[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCC,42.192757,17.59617925
13-Methylmyristic acid,CC(C)CCCCCCCCCCCC(O)=O,42.193195,33.79466236
TG(8:0/i-24:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,42.198986,4.802636802
Alpha-Ketooctanoic acid,CCCCCCC(=O)C(O)=O,42.203323,27.34574676
TG(12:0/i-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,42.206276,4.802636802
"PI(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,42.208527,0.908941869
D-Glucopyranoside,OCC1OC(O)C(O)C(O)C1O,42.21152,1.781210862
"PI(18:3(6Z,9Z,12Z)/22:3(10Z,13Z,16Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,42.215767,0.908941869
TG(17:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,42.218994,4.802636802
Sedoheptulose,OCC(O)C(O)C(O)C(O)C(=O)CO,42.220043,0.896038488
DG(a-13:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,42.22451,5.579292774
TG(10:0/i-19:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,42.22539,4.802636802
Isopropyl beta-D-glucoside,CC(C)OC1OC(CO)C(O)C(O)C1O,42.236282,3.190161288
DG(a-25:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.243965,4.620983452
TG(16:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,42.245907,5.722453445
TG(12:0/i-22:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,42.247208,4.802636802
"(4-{2-[(1R,16Z,24Z,29Z)-1,18-dihydroxy-19,31-dimethoxy-15,17,21,23,30,36-hexamethyl-2,3,10,14,20-pentaoxo-11,27,37-trioxa-4-azatetracyclo[31.3.1.0⁴,⁹.0²⁶,²⁸]heptatriaconta-16,24,29-trien-12-yl]propyl}-2-methoxycyclohexyl)oxidanesulfonic acid",[H]\C1=C([H])\C([H])(C)CC([H])(C)C(=O)C([H])(OC)C([H])(O)\C(C)=C([H])/C([H])(C)C(=O)CC([H])(OC(=O)C2([H])CCCCN2C(=O)C(=O)[C@]2(O)OC([H])(CCC2([H])C)CC([H])(OC)\C(C)=C([H])/C2([H])OC12[H])C([H])(C)CC1([H])CCC([H])(OS(O)(=O)=O)C([H])(C1)OC,42.24722,5.445050076
TG(8:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,42.249,4.802636802
TG(17:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.249878,4.841376841
"(1R,16Z,24Z,29Z)-1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,31-dimethoxy-15,17,21,23,30,36-hexamethyl-11,27,37-trioxa-4-azatetracyclo[31.3.1.0⁴,⁹.0²⁶,²⁸]heptatriaconta-16,24,29-triene-2,3,10,14,20-pentone",[H]\C1=C([H])\C([H])(C)CC([H])(C)C(=O)C([H])(OC)C([H])(O)\C(C)=C([H])/C([H])(C)C(=O)CC([H])(OC(=O)C2([H])CCCCN2C(=O)C(=O)[C@]2(O)OC([H])(CCC2([H])C)CC([H])(OC)\C(C)=C([H])/C2([H])OC12[H])C([H])(C)CC1([H])CCC([H])(O)C([H])(C1)OC,42.252544,5.904616043
DG(a-17:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,42.253887,5.90515621
TG(12:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,42.256092,4.802636802
TG(8:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,42.25718,4.802636802
TG(10:0/i-24:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,42.25785,4.81902808
TG(8:0/i-17:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,42.261654,5.722453445
DG(a-21:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.26544,5.90515621
TG(12:0/i-19:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,42.266354,4.802636802
"[(1R,16Z,24Z,29Z)-1-hydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,31-dimethoxy-15,17,21,23,30,36-hexamethyl-2,3,10,14,20-pentaoxo-11,27,37-trioxa-4-azatetracyclo[31.3.1.0⁴,⁹.0²⁶,²⁸]heptatriaconta-16,24,29-trien-18-yl]oxidanesulfonic acid",[H]\C1=C([H])\C([H])(C)CC([H])(C)C(=O)C([H])(OC)C([H])(OS(O)(=O)=O)\C(C)=C([H])/C([H])(C)C(=O)CC([H])(OC(=O)C2([H])CCCCN2C(=O)C(=O)[C@]2(O)OC([H])(CCC2([H])C)CC([H])(OC)\C(C)=C([H])/C2([H])OC12[H])C([H])(C)CC1([H])CCC([H])(O)C([H])(C1)OC,42.26704,5.319713429
3-Hydroxysebacic acid,OC(CCCCCCC(O)=O)CC(O)=O,42.269367,2.830691822
TG(17:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.269756,6.375283003
Suberylglycine,OC(=O)CCCCCCC(=O)NCC(O)=O,42.27516,1.472646277
"PC(14:1(9Z)/20:2(11Z,14Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.275608,4.619547352
11-Methyldodecanoic acid,CC(C)CCCCCCCCCC(O)=O,42.278057,37.89552748
3-Hydroxydodecanedioic acid,OC(CCCCCCCCC(O)=O)CC(O)=O,42.278313,2.940459922
TG(21:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,42.287327,4.802636802
3-Hydroxytetradecanedioic acid,OC(CCCCCCCCCCC(O)=O)CC(O)=O,42.28933,4.471860826
DG(a-15:0/0:0/i-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,42.296707,5.90515621
"PC(14:1(9Z)/18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.30411,4.619547352
TG(10:0/i-22:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,42.307446,4.802636802
TG(16:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,42.310726,4.802636802
TG(12:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,42.31393,4.802636802
"PG(18:3(6Z,9Z,12Z)/16:1(9Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,42.31635,2.546756715
TG(10:0/i-18:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,42.32007,4.802636802
TG(10:0/i-20:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,42.33036,4.802636802
TG(15:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,42.333134,5.722453445
"PC(14:1(9Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.333145,4.619547352
TG(22:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,42.35317,4.802636802
TG(8:0/i-16:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,42.364845,5.722453445
TG(13:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.38241,4.841376841
TG(12:0/i-20:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,42.38588,4.802636802
"PG(18:3(9Z,12Z,15Z)/16:1(9Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,42.39109,2.546756715
TG(13:0/a-25:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.411594,4.81902808
DG(a-13:0/0:0/i-13:0),[H][C@](O)(COC(=O)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,42.41542,4.327557236
TG(14:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,42.42368,5.722453445
TG(10:0/i-24:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,42.427094,4.802636802
TG(10:0/i-19:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,42.43466,4.802636802
TG(10:0/i-17:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,42.434723,4.802636802
TG(22:0/O-18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,42.434723,5.925972015
Pimelic acid,OC(=O)CCCCCC(O)=O,42.435577,29.83718812
TG(10:0/i-18:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,42.444344,5.722453445
TG(12:0/i-18:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,42.44595,5.722453445
TG(10:0/i-22:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,42.44859,4.802636802
TG(14:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,42.45059,4.802636802
(±)-2-Heptanol,CCCCCC(C)O,42.457455,40.75989127
TG(16:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.4603,6.375283003
TG(8:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,42.46048,4.802636802
trans-Hexadec-2-enoyl carnitine,CCCCCCCCCCCCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C,42.467205,10.94167233
"PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O,42.46779,0.908941869
TG(10:0/i-20:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,42.47298,4.802636802
TG(8:0/i-22:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,42.47386,5.722453445
TG(13:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,42.475754,4.802636802
7-Hydroxyoctanoic acid,CC(O)CCCCCC(O)=O,42.478497,32.80366957
TG(14:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,42.483707,4.802636802
"PI(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,42.494934,0.908941869
"PI(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC,42.49673,0.908941869
PC(o-16:1(9Z)/14:1(9Z)),[H][C@@](COCCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,42.498802,6.075387076
"PI(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,42.501644,0.908941869
TG(14:0/i-14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,42.504646,4.802636802
TG(16:0/O-18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,42.513172,6.019304693
"PI(22:3(10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,42.516468,0.908941869
"PI(18:3(9Z,12Z,15Z)/22:3(10Z,13Z,16Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,42.52171,0.908941869
TG(14:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,42.52428,4.802636802
TG(12:0/i-16:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,42.537254,4.802636802
TG(17:0/a-25:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.54617,4.841376841
TG(13:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.54924,5.057617277
(+)-10-Methyldodecanoic acid,CCC(C)CCCCCCCCC(O)=O,42.551273,42.20560193
PC(P-20:0/16:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,42.5525,6.075387076
TG(8:0/i-19:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,42.55299,5.722453445
PC(P-20:0/14:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,42.55567,6.075387076
TG(20:0/O-18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,42.560883,5.761946738
TG(13:0/a-25:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.56169,4.81902808
"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC,42.566277,0.908941869
TG(15:0/i-12:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,42.570385,5.722453445
TG(14:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,42.576397,4.802636802
TG(10:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,42.579937,5.722453445
TG(22:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,42.587975,4.802636802
TG(13:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.58843,5.057617277
Isopalmitic acid,CC(C)CCCCCCCCCCCCC(O)=O,42.599937,33.07811022
DG(i-14:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,42.61367,4.327557236
TG(14:0/i-15:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,42.614697,4.802636802
TG(18:0/O-18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,42.616745,5.761946738
TG(8:0/i-24:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,42.622944,4.802636802
PC(14:1(9Z)/24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.623676,5.609514192
Undecanedioic acid,OC(=O)CCCCCCCCCC(O)=O,42.62689,43.86384487
TG(15:0/O-18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,42.630634,5.937399343
"PG(18:3(6Z,9Z,12Z)/18:1(9Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,42.6481,2.546756715
12-Methyltridecanoic acid,CC(C)CCCCCCCCCCC(O)=O,42.649376,35.39243937
PC(19:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,42.660866,5.609514192
DG(i-21:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,42.66135,4.620983452
DG(i-14:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,42.66534,4.39793691
TG(13:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.676388,4.81902808
DG(i-13:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,42.684364,5.90515621
TG(14:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,42.69757,4.802636802
DG(i-16:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,42.70168,4.39793691
(S)-14-Methylhexadecanoic acid,CCC(C)CCCCCCCCCCCCC(O)=O,42.70243,33.07811022
TG(8:0/i-18:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,42.70284,5.722453445
PC(19:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,42.71673,5.609514192
PC(22:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,42.718277,4.737499729
Hydroxyoctanoic acid,CCCCCCC(O)C(O)=O,42.7215,36.72268391
PC(14:1(9Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.726925,5.609514192
(+)-12-Methyltetradecanoic acid,CCC(C)CCCCCCCCCCC(O)=O,42.729786,33.79466236
TG(8:0/i-20:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,42.73524,5.722453445
3-Sn-phosphatidylethanolamine,[H]N([H])CCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,42.73722,4.098714516
TG(14:0/i-15:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,42.739185,4.802636802
TG(10:0/i-17:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,42.7416,4.802636802
LysoPE(18:1(9Z)/0:0),[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN,42.74591,1.445409562
LysoPE(24:1(15Z)/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN,42.746395,4.971525073
PC(14:1(9Z)/16:1(9Z)),CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.74828,5.614798144
TG(13:0/a-25:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.75322,5.057617277
TG(16:0/a-25:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.75578,4.841376841
TG(10:0/i-17:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,42.75858,5.722453445
Hexadecanedioic acid,OC(=O)CCCCCCCCCCCCCCC(O)=O,42.76001,28.70020866
TG(12:0/i-17:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,42.764645,5.722453445
DG(i-12:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,42.769127,4.327557236
LysoPE(22:1(13Z)/0:0),[H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN,42.775105,4.690585285
LysoPE(18:1(11Z)/0:0),[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OCCN,42.775177,1.445409562
LysoPE(20:1(11Z)/0:0),[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OCCN,42.776653,2.335618436
DG(i-16:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,42.7821,4.327557236
TG(18:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,42.783134,5.722453445
TG(8:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.78412,4.81902808
TG(14:0/i-15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,42.786896,4.802636802
Tuberculostearic acid,CCCCCCCCC(C)CCCCCCCCC(O)=O,42.792103,25.36816001
TG(17:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,42.79544,4.802636802
TG(8:0/a-25:0/15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,42.807446,4.802636802
"PG(18:3(9Z,12Z,15Z)/18:1(9Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCC,42.811047,2.546756715
DG(i-14:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,42.81129,7.572990656
PC(17:0/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,42.811817,5.609514192
PC(16:1(9Z)/18:1(11Z)),CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.813606,5.609514192
PC(17:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,42.837353,5.609514192
DG(i-15:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCC(C)C,42.84037,5.90515621
DG(i-12:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,42.842213,7.572990656
TG(13:0/i-22:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,42.84815,4.802636802
"PC(18:2(9Z,12Z)/18:1(11Z))",CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.84943,4.619547352
TG(13:0/i-19:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,42.8519,4.802636802
PC(22:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,42.856224,4.737499729
TG(17:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,42.86518,5.057617277
TG(14:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,42.86686,5.722453445
PC(P-20:0/18:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,42.86826,5.712285638
TG(17:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,42.86849,4.81902808
"PG(18:3(6Z,9Z,12Z)/18:1(11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,42.86997,2.546756715
9-cis-Retinal,C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O,42.875683,16.45146757
"1,11-Undecanedicarboxylic acid",OC(=O)CCCCCCCCCCCC(O)=O,42.879543,45.04496455
DG(i-19:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCC(C)C,42.883663,4.955971614
TG(13:0/a-21:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,42.8854,4.802636802
"PC(22:2(13Z,16Z)/18:1(11Z))",CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.886063,3.901425749
TG(19:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,42.89207,4.802636802
TG(10:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,42.896366,4.802636802
11-cis-Retinaldehyde,C/C(/C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O,42.896957,16.45146757
Retinal,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O,42.923782,16.45146757
PC(14:1(9Z)/22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,42.928017,5.609514192
TG(12:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,42.930622,5.722453445
Octadecanedioic acid,OC(=O)CCCCCCCCCCCCCCCCC(O)=O,42.934643,16.42916352
13-cis-Retinal,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O,42.9353,16.45146757
PC(P-14:0/18:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,42.9384,6.075387076
DG(i-14:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,42.93862,5.663807318
"CDP-DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,42.94163,1.40101444
4-Oxoretinal,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCC(=O)C1(C)C)=C/C=O,42.942673,21.17592394
3-Hydroxyoctanoic acid,CCCCCC(O)CC(O)=O,42.945324,29.83242273
"CDP-DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,42.946625,1.40101444
TG(13:0/i-16:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,42.951195,4.802636802
DG(i-17:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,42.95502,4.39793691
TG(8:0/i-17:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,42.965206,5.722453445
"CDP-DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,42.966194,1.713814959
"CDP-DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O,42.97181,1.713814959
PC(16:0/18:1(11E)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C\CCCCCC,42.972645,5.609514192
TG(12:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,42.97337,5.057617277
TG(14:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,42.975273,4.802636802
Sebacic acid,OC(=O)CCCCCCCCC(O)=O,42.97647,57.86648989
DG(i-18:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCC(C)C,42.98159,5.90515621
TG(13:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,42.983597,4.802636802
PC(13:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,42.98429,5.609514192
PC(16:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,42.987125,5.609514192
PC(P-20:0/20:1(11Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,42.992214,5.037521943
DG(i-22:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,42.99361,4.620983452
TG(12:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,42.996326,4.802636802
TG(13:0/i-16:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,42.996643,4.802636802
TG(8:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,42.996777,4.802636802
TG(16:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,42.997265,5.722453445
TG(8:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,42.99812,4.802636802
TG(8:0/a-25:0/16:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.003098,4.802636802
TG(8:0/19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,43.00764,4.802636802
PC(17:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,43.009556,5.609514192
"PG(16:1(9Z)/18:3(6Z,9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,43.012646,2.546756715
TG(13:0/i-18:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,43.015633,4.802636802
"PG(16:1(9Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,43.02118,2.546756715
TG(18:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.021698,4.802636802
TG(8:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,43.022285,4.802636802
Geranylgeranylcysteine,SC[C@H](NC(=O)\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=O,43.0223,9.339407086
PC(16:0/18:1(9E)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCCCC,43.02513,5.609514192
PC(18:0/18:1(9E)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCCCC,43.02557,5.609514192
TG(13:0/i-17:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,43.02748,4.802636802
"PC(18:2(9Z,12Z)/16:1(9Z))",CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.030464,4.619547352
PC(16:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,43.033245,4.737499729
Suberic acid,OC(=O)CCCCCCC(O)=O,43.03731,33.1709981
PC(16:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,43.038395,5.609514192
PC(18:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,43.044804,5.609514192
TG(19:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,43.046696,4.802636802
TG(12:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,43.051517,4.841376841
TG(14:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.053413,4.841376841
TG(21:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,43.056633,4.802636802
"PC(18:2(9Z,12Z)/24:1(15Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.056805,3.901425749
TG(13:0/i-16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,43.05797,4.802636802
DG(i-14:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,43.058964,5.579292774
Azelaic acid,OC(=O)CCCCCCCC(O)=O,43.060223,54.88551855
TG(19:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.06338,4.802636802
"PG(18:1(9Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,43.066666,2.546756715
PC(10:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,43.067135,5.614798144
"PG(18:3(9Z,12Z,15Z)/18:1(11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,43.072655,2.546756715
7a-Hydroxy-cholestene-3-one,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,43.07433,10.26433632
DG(i-17:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCC(C)C,43.075344,5.90515621
PC(20:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,43.076466,4.737499729
"PG(18:1(9Z)/18:3(6Z,9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,43.076984,2.546756715
PC(13:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,43.08058,5.609514192
PE-NMe2(16:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,43.081467,8.589105308
DG(i-12:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,43.081818,4.503183812
PC(18:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,43.082882,4.737499729
"PC(20:2(11Z,14Z)/18:1(11Z))",CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.090973,4.619547352
"PC(18:2(9Z,12Z)/20:1(11Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.0918,4.619547352
DG(i-12:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,43.093918,4.39793691
"PC(22:2(13Z,16Z)/16:1(9Z))",CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.096104,4.619547352
PC(12:0/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,43.096424,5.614798144
DG(i-12:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,43.097927,5.663807318
TG(13:0/i-20:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,43.10374,4.802636802
TG(8:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,43.108482,4.802636802
TG(13:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,43.118664,5.722453445
TG(19:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,43.119476,5.057617277
TG(14:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.119583,6.375283003
TG(8:0/i-16:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,43.129353,5.722453445
TG(8:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,43.144268,4.802636802
TG(17:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,43.144794,5.722453445
TG(12:0/i-15:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.15081,5.722453445
3-Nonanone,CCCCCCC(=O)CC,43.1593,83.33336711
PC(14:1(9Z)/21:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,43.162567,5.609514192
TG(8:0/i-15:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.164783,5.722453445
TG(21:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,43.165012,4.841376841
PC(12:0/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,43.16827,5.614798144
TG(12:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,43.17162,4.841376841
"PC(22:2(13Z,16Z)/24:1(15Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.171856,4.105542228
PC(16:1(9Z)/24:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,43.1722,4.737499729
5-Acetamidovalerate,CC(=O)NCCCCC(O)=O,43.175507,9.757783264
TG(8:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,43.177166,4.802636802
"PC(22:2(13Z,16Z)/20:1(11Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.178566,3.901425749
TG(20:0/13:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.181755,4.802636802
TG(8:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,43.18788,4.802636802
DG(i-14:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,43.188442,4.503183812
TG(10:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,43.189175,5.722453445
DG(i-20:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,43.19585,5.663807318
PC(14:1(9Z)/17:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,43.200024,5.609514192
DG(i-16:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,43.206215,4.503183812
PC(12:0/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,43.209717,5.609514192
DG(i-13:0/0:0/a-15:0),[H][C@](O)(COC(=O)CCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,43.211067,4.609746113
TG(14:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.21804,4.841376841
PC(14:1(9Z)/19:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,43.220585,5.609514192
TG(15:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.222088,5.722453445
TG(22:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,43.224434,4.841376841
TG(8:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.229534,5.722453445
"PG(18:1(11Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,43.230232,2.546756715
DG(i-12:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC(C)C,43.23069,7.943159342
DG(i-20:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,43.235737,4.503183812
PC(16:1(9Z)/16:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,43.236233,5.609514192
TG(12:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.23773,4.841376841
"PG(16:1(9Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,43.2453,2.546756715
TG(19:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,43.247974,4.802636802
Dodecanedioic acid,OC(=O)CCCCCCCCCCC(O)=O,43.253975,46.68550491
TG(14:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,43.25618,5.722453445
PC(16:1(9Z)/17:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,43.25953,5.609514192
PC(16:1(9Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.262016,5.609514192
"PG(18:1(11Z)/18:3(6Z,9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,43.262104,2.546756715
"PG(18:1(9Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,43.263783,2.546756715
TG(10:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,43.265198,4.802636802
DG(i-17:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,43.267128,4.176246747
TG(18:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.268707,6.375283003
DG(i-16:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,43.277023,5.579292774
"PG(18:1(9Z)/18:3(9Z,12Z,15Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,43.277225,2.546756715
Adipate semialdehyde,OC(=O)CCCCC=O,43.278442,18.12173873
TG(8:0/i-15:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.281693,5.722453445
TG(10:0/a-25:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.287148,5.057617277
TG(15:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.29037,4.841376841
PC(16:1(9Z)/19:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,43.295937,5.609514192
TG(16:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.296635,5.722453445
TG(12:0/i-15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.29803,4.802636802
"PG(18:2(9Z,12Z)/18:2(9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,43.301277,2.546756715
TG(13:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,43.30805,5.722453445
DG(i-12:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,43.311787,4.39793691
"PG(16:1(9Z)/18:3(9Z,12Z,15Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,43.313324,2.546756715
TG(21:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,43.32019,4.802636802
TG(12:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,43.324036,5.057617277
TG(10:0/i-16:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,43.32574,5.722453445
TG(12:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.331486,4.802636802
TG(13:0/i-14:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.336777,5.722453445
TG(20:0/13:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.338505,4.841376841
4-Acetamidobutanoic acid,CC(=O)NCCCC(O)=O,43.339565,9.581536055
DG(i-19:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,43.343327,4.176246747
TG(12:0/i-15:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.347084,5.722453445
DG(i-18:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,43.348118,4.39793691
PC(20:1(13Z)/22:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,43.349503,4.737499729
PC(18:1(11Z)/22:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,43.35319,4.737499729
TG(15:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.354713,5.057617277
"PG(18:1(11Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,43.380905,2.546756715
TG(21:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,43.382603,4.802636802
"PE(24:0/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,43.389767,3.752648458
"PE(24:0/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,43.392254,3.752648458
TG(18:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.392616,4.841376841
PC(16:1(9Z)/20:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,43.39466,5.609514192
TG(13:0/i-14:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.394985,4.802636802
"PC(18:2(9Z,12Z)/22:1(13Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.39802,3.901425749
"PE(24:0/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,43.398853,3.752648458
"PC(20:2(11Z,14Z)/16:1(9Z))",CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.40017,4.619547352
TG(15:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,43.40188,5.722453445
Tetradecanedioic acid,OC(=O)CCCCCCCCCCCCC(O)=O,43.404686,34.04324353
TG(13:0/i-14:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.40472,5.722453445
16-Ketoestradiol,[H][C@@]12CC(=O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,43.406013,15.73155373
TG(12:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.40626,4.841376841
TG(15:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.41119,5.057617277
"PC(18:2(9Z,12Z)/18:1(9Z))",CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.417137,4.619547352
TG(12:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,43.421898,4.81902808
"PE(24:0/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,43.422447,3.752648458
TG(12:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,43.423424,4.81902808
16b-Hydroxyestrone,[H][C@@]12C[C@H](O)C(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,43.424103,15.73155373
3-Oxooctanoic acid,CCCCCC(=O)CC(O)=O,43.428425,28.80417705
DG(i-18:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,43.429077,4.503183812
DG(a-21:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.43372,4.955971614
TG(13:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.44241,4.802636802
TG(10:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.44463,5.722453445
TG(10:0/a-25:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.445175,5.057617277
"PG(18:1(11Z)/18:3(9Z,12Z,15Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,43.44597,2.546756715
TG(18:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.451702,4.841376841
TG(8:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,43.462852,4.802636802
TG(8:0/a-25:0/14:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.470516,4.802636802
PC(18:1(9Z)/24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.471313,4.737499729
PC(16:1(9Z)/22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.471493,5.609514192
TG(8:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.476345,4.802636802
TG(12:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,43.47719,5.722453445
DG(i-19:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,43.485294,4.503183812
3-Hydroxydodecanoic acid,CCCCCCCCCC(O)CC(O)=O,43.49065,30.02925813
DG(i-22:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,43.490948,5.663807318
PC(18:1(9Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.496033,5.609514192
TG(15:0/i-12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,43.497334,4.802636802
TG(18:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,43.50196,4.802636802
TG(14:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.503105,4.802636802
PC(18:1(11Z)/24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.507053,4.737499729
DG(i-15:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,43.508457,6.668579578
PC(16:1(9Z)/18:1(9Z)),CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.509686,5.609514192
PC(16:1(9Z)/12:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,43.510086,5.614798144
PC(14:1(9Z)/14:1(9Z)),CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,43.511086,5.614798144
PC(18:1(11Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.517097,5.609514192
"CE(18:2(9,11))",[H]\C(CCCCCC)=C(\[H])/C(/[H])=C(/[H])CCCCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],43.52004,2.080537379
"PC(20:2(11Z,14Z)/20:1(11Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.521248,3.901425749
"PC(22:2(13Z,16Z)/22:1(13Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.521526,3.901425749
"PC(20:2(11Z,14Z)/24:1(15Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.52447,3.901425749
PC(18:1(9Z)/22:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,43.52682,4.737499729
"PC(22:2(13Z,16Z)/18:1(9Z))",CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.52944,3.901425749
PC(22:1(13Z)/24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.530205,5.62633276
DG(i-14:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,43.53047,4.176246747
3-Hydroxycapric acid,CCCCCCCC(O)CC(O)=O,43.538372,38.84877861
TG(15:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.53973,4.81902808
DG(i-20:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,43.54261,5.579292774
PC(18:1(9Z)/17:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,43.54306,5.609514192
TG(8:0/a-25:0/18:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.54816,4.802636802
TG(16:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.55063,4.81902808
TG(15:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,43.555164,4.802636802
Cis-zeatin,C\C(CO)=C/CNC1=C2N=CN=C2N=CN1,43.56696,10.15077978
17-hydroxyandrostane-3-glucuronide,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O,43.57614,3.332271054
TG(14:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.582626,4.802636802
TG(14:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.58276,4.802636802
TG(14:0/O-18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,43.58473,5.937399343
3-Oxododecanoic acid,CCCCCCCCCC(=O)CC(O)=O,43.58656,36.59959435
TG(8:0/12:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,43.59147,5.722453445
20:5 Cholesteryl ester,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],43.599422,2.120641991
22:5 Cholesteryl ester,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCC(=O)O[C@@]1([H])CC[C@@]2(C)C(C1)=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC[C@]21[H],43.600796,1.555238478
DG(i-13:0/0:0/a-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,43.607197,4.503183812
PC(18:1(9Z)/13:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,43.611572,5.609514192
TG(12:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,43.613274,4.802636802
TG(8:0/a-13:0/22:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,43.61425,4.802636802
PC(20:1(11Z)/24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.617218,5.346606299
TG(14:0/i-12:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,43.629326,5.722453445
TG(12:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,43.632206,4.802636802
TG(14:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,43.633484,5.722453445
PC(18:1(11Z)/18:1(9Z)),CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.634995,5.609514192
3-Oxodecanoic acid,CCCCCCCC(=O)CC(O)=O,43.638332,31.91145062
TG(12:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,43.64413,4.802636802
PC(22:1(13Z)/18:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,43.644238,4.737499729
TG(10:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.652313,4.81902808
TG(12:0/a-25:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.65294,5.057617277
TG(10:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,43.670834,4.802636802
TG(22:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,43.672905,4.802636802
PC(20:1(11Z)/13:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,43.68155,5.609514192
PC(24:1(15Z)/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,43.683685,4.737499729
TG(17:0/a-21:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.701187,5.057617277
DG(i-13:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCC(C)C,43.702877,5.579292774
DG(a-17:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,43.70733,5.90515621
PC(20:1(11Z)/20:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,43.71115,4.737499729
TG(8:0/a-25:0/12:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.71245,4.802636802
TG(10:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,43.712635,4.802636802
TG(12:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,43.722008,5.057617277
DG(i-22:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,43.726322,5.579292774
TG(16:0/a-21:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.72651,5.057617277
PC(18:1(9Z)/12:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,43.727962,5.614798144
DG(i-16:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,43.73522,5.663807318
DG(a-13:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,43.738266,5.90515621
DG(i-21:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.74009,4.620983452
TG(12:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,43.74438,5.722453445
TG(8:0/a-25:0/10:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.749287,4.802636802
TG(8:0/i-15:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.74957,5.722453445
PC(20:1(11Z)/22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.75435,4.737499729
TG(15:0/a-21:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.757374,4.81902808
PC(20:1(11Z)/12:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,43.758743,5.609514192
DG(i-16:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,43.75922,5.90515621
TG(22:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,43.76074,4.802636802
TG(8:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,43.76267,4.802636802
TG(10:0/a-25:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.76359,4.802636802
DG(i-17:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,43.765053,4.503183812
3-Oxotetradecanoic acid,CCCCCCCCCCCC(=O)CC(O)=O,43.768078,34.07063186
TG(12:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,43.78328,4.802636802
TG(10:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,43.810432,4.802636802
"PC(20:2(11Z,14Z)/18:1(9Z))",CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.818428,4.619547352
"PC(20:2(11Z,14Z)/22:1(13Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,43.824467,3.901425749
TG(12:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,43.82624,4.802636802
Valerylglycine,CCCCC(=O)NCC(O)=O,43.838066,12.71961927
DG(i-20:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,43.841206,4.955971614
3-Oxohexadecanoic acid,CCCCCCCCCCCCCC(=O)CC(O)=O,43.84168,26.42448246
N(6)-(Octanoyl)lysine,CCCCCCCC(=O)NCCCCC(N)C(O)=O,43.856514,3.038972802
DG(i-12:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,43.85907,5.90515621
TG(10:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,43.860004,4.802636802
"PC(18:3(6Z,9Z,12Z)/17:0)",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,43.875923,4.619547352
DG(a-13:0/0:0/i-12:0),[H][C@](O)(COC(=O)CCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,43.88305,6.668579578
DG(i-19:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,43.88478,5.438110232
DG(a-21:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.885754,5.90515621
TG(12:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,43.890766,5.722453445
2-Hydroxymyristic acid,CCCCCCCCCCCCC(O)C(O)=O,43.89684,25.65949559
DG(a-25:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.90161,4.620983452
TG(13:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,43.91507,5.722453445
TG(8:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.915215,5.722453445
TG(10:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,43.920975,4.802636802
DG(i-12:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,43.924744,4.176246747
TG(10:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,43.924984,4.802636802
TG(17:0/a-21:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.92846,4.841376841
DG(i-18:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,43.929787,5.663807318
TG(13:0/a-13:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,43.9447,4.802636802
3-Oxooctadecanoic acid,CCCCCCCCCCCCCCCC(=O)CC(O)=O,43.945705,20.48360258
TG(10:0/i-24:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,43.945896,4.802636802
TG(10:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,43.9465,5.722453445
TG(16:0/a-21:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,43.947735,5.057617277
DG(i-24:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.94822,4.620983452
DG(i-16:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCC(C)C,43.94877,5.90515621
TG(12:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,43.949574,5.722453445
TG(10:0/i-22:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,43.95344,4.802636802
TG(18:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,43.95359,5.057617277
TG(12:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,43.95367,4.802636802
TG(10:0/a-25:0/13:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.976368,4.802636802
Vitamin A,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,43.978703,13.36169392
9-cis-Retinol,C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,43.97998,13.36169392
11-cis-Retinol,C\C(=C/CO)\C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,43.980995,13.36169392
DG(i-14:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,43.98337,5.90515621
TG(12:0/i-16:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,43.984653,5.722453445
TG(12:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,43.98807,5.722453445
TG(10:0/i-19:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,43.98984,5.722453445
TG(12:0/a-25:0/13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,43.995667,4.802636802
13-cis Retinol,C\C(=C\CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,43.997063,13.36169392
TG(10:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,43.997883,4.802636802
TG(13:0/i-16:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,44.00585,5.722453445
DG(i-14:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,44.01678,4.503183812
TG(18:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,44.018227,4.802636802
4-Oxoretinol,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C,44.02512,15.54227173
TG(8:0/i-15:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.02588,5.722453445
DG(a-25:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,44.03059,4.620983452
DG(i-13:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,44.04621,5.90515621
TG(10:0/i-18:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,44.048622,5.722453445
TG(10:0/i-20:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,44.048622,5.722453445
DG(i-15:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCC(C)C,44.05022,5.90515621
DG(i-19:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCC(C)C,44.050545,5.90515621
TG(12:0/i-14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,44.051437,5.722453445
"All-trans-13,14-dihydroretinol",CC(CCO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,44.061398,16.00334048
DG(a-17:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,44.06225,5.90515621
Hexanoylglycine,CCCCCC(=O)NCC(O)=O,44.064346,12.94478774
DG(i-18:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCC(C)C,44.080868,5.90515621
TG(14:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.09952,4.802636802
PC(18:1(11Z)/16:1(9Z)),CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,44.104626,5.609514192
DG(a-15:0/0:0/i-24:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,44.109035,5.90515621
TG(8:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,44.115967,4.802636802
TG(12:0/i-24:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,44.116657,4.802636802
DG(a-25:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,44.12513,4.620983452
"PG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,44.125195,2.546756715
DG(a-25:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,44.147648,5.90515621
TG(12:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,44.17059,4.802636802
"PG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,44.17775,2.546756715
DG(i-16:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,44.178925,4.503183812
TG(8:0/i-15:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.19029,5.722453445
Geranylgeranyl-PP,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,44.193123,3.360691667
TG(8:0/a-21:0/13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,44.193302,5.722453445
TG(12:0/i-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.199223,4.802636802
DG(a-17:0/0:0/i-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,44.202755,5.579292774
TG(19:0/a-21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,44.2068,4.841376841
TG(13:0/i-13:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.217567,4.802636802
"PG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,44.220585,2.546756715
TG(8:0/a-17:0/13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,44.2235,5.722453445
DG(i-22:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,44.22738,5.90515621
PC(16:1(9Z)/14:1(9Z)),CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,44.228027,5.614798144
PC(24:1(15Z)/14:1(9Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,44.22939,5.609514192
TG(17:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.230118,4.802636802
TG(8:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,44.238388,4.802636802
TG(13:0/i-13:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.24268,5.722453445
N-Nonanoylglycine,CCCCCCCCC(=O)NCC(O)=O,44.255787,32.35324025
PE(14:1(9Z)/P-18:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,44.261272,5.121812969
N-Decanoylglycine,CCCCCCCCCC(=O)NCC(O)=O,44.26159,35.26270986
TG(14:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,44.26212,4.802636802
DG(a-13:0/0:0/i-15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,44.26224,4.609746113
"PG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,44.267002,2.546756715
"PG(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,44.267014,2.546756715
TG(12:0/i-15:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.267063,5.722453445
TG(10:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,44.27403,4.802636802
Myristoylglycine,CCCCCCCCCCCCCC(=O)NCC(O)=O,44.27461,32.31405616
TG(13:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,44.274635,5.722453445
"PG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,44.2773,2.546756715
TG(20:0/O-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.286938,5.761946738
TG(13:0/i-12:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,44.29102,5.722453445
"PG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,44.29324,2.546756715
DG(a-15:0/0:0/i-15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,44.298542,4.503183812
Tridecanoylglycine,CCCCCCCCCCCCC(=O)NCC(O)=O,44.298824,36.19363904
DG(i-17:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCC(C)C,44.29986,5.90515621
DG(i-16:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,44.30011,5.438110232
DG(i-15:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,44.301506,5.90515621
TG(8:0/a-13:0/13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,44.30228,5.722453445
TG(16:0/O-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.305424,5.937399343
TG(10:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,44.30659,4.802636802
N-Undecanoylglycine,CCCCCCCCCCC(=O)NCC(O)=O,44.307327,35.64222753
TG(22:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.310467,5.057617277
"PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,44.317474,2.546756715
DG(a-13:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,44.318764,5.663807318
DG(a-25:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,44.31907,5.90515621
PC(20:1(11Z)/14:1(9Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,44.32029,5.609514192
TG(8:0/a-15:0/13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,44.322575,5.722453445
"PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,44.324352,2.546756715
Tricosanoylglycine,CCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,44.327606,8.622375131
DG(a-17:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,44.327972,5.90515621
Geranylfarnesyl diphosphate,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,44.333496,2.724548988
"PG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,44.334877,2.546756715
Capryloylglycine,CCCCCCCC(=O)NCC(O)=O,44.347668,20.05323619
N-Lauroylglycine,CCCCCCCCCCCC(=O)NCC(O)=O,44.34975,34.11201835
TG(8:0/a-17:0/21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,44.35285,4.802636802
TG(10:0/i-15:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.355602,5.722453445
Pentacosanoylglycine,CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,44.35622,8.56475234
PC(20:1(11Z)/16:1(9Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,44.36484,5.609514192
TG(12:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,44.367958,4.802636802
TG(12:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.373413,5.722453445
Stearoylglycine,CCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,44.377037,10.47394052
Behenoylglycine,CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,44.381542,8.336723596
PC(17:1(10Z)/17:1(10Z)),[H][C@@](COC(=O)CCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/CCCCCC,44.3885,5.609514192
TG(12:0/i-12:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,44.390766,5.722453445
PE(14:1(9Z)/P-16:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,44.390995,5.121812969
"PG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,44.395195,2.546756715
"12,13-DHOME",CCCCCC(O)C(O)C\C=C/CCCCCCCC(O)=O,44.396942,8.168902248
Palmitoylglycine,CCCCCCCCCCCCCCCC(=O)NCC(O)=O,44.40168,19.85885203
TG(13:0/i-14:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,44.403614,5.722453445
TG(21:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,44.405304,4.802636802
"PG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,44.411453,2.546756715
TG(13:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.414,4.802636802
TG(10:0/i-15:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.418507,5.722453445
Pentadecanoylglycine,CCCCCCCCCCCCCCC(=O)NCC(O)=O,44.418606,27.81844437
TG(19:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.421368,4.802636802
TG(12:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,44.42431,4.802636802
Not Found,[H]\C(CC)=C(/[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OCC(COC(=O)CC\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC,44.439384,7.587759942
TG(16:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,44.44163,4.802636802
DG(a-21:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,44.443314,4.620983452
TG(16:0/O-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.444298,5.841717869
DG(a-15:0/0:0/i-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,44.448074,5.663807318
TG(18:0/O-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.44864,6.019304693
PE(16:1(9Z)/P-18:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,44.45103,5.39778918
DG(i-14:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,44.45547,5.90515621
TG(12:0/i-15:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.455906,4.802636802
Not Found,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCCCC(=O)OC(COC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC)COC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC,44.460117,7.587759942
Not Found,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CCCC(=O)OC(COC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])CC)COC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC,44.46183,7.587759942
DG(i-17:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,44.47597,5.90515621
DG(a-15:0/0:0/i-19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,44.47995,5.579292774
TG(13:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,44.483974,4.802636802
TG(17:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.484013,4.802636802
TG(13:0/i-13:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.48581,5.722453445
DG(a-13:0/0:0/i-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,44.48817,4.503183812
Tetracosanoylglycine,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(O)=O,44.48832,7.590202987
TG(10:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,44.49216,5.722453445
Margaroylglycine,CCCCCCCCCCCCCCCCC(=O)NCC(O)=O,44.49328,14.14119303
"9,10-DHOME",CCCCC\C=C/CC(O)C(O)CCCCCCCC(O)=O,44.501656,8.168902248
TG(8:0/a-17:0/19:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,44.502434,4.802636802
TG(10:0/i-15:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.50315,4.802636802
TG(15:0/O-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.50515,6.147347391
PC(24:1(15Z)/18:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,44.507122,4.737499729
TG(8:0/i-14:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,44.507847,5.722453445
PC(20:1(11Z)/18:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,44.508846,5.609514192
TG(12:0/i-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.513504,4.802636802
TG(17:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,44.515526,5.722453445
PC(22:1(13Z)/14:1(9Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,44.518726,5.609514192
TG(13:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,44.531116,4.802636802
DG(a-17:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCC(C)CC,44.53385,5.90515621
DG(i-21:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,44.54636,4.503183812
PC(20:1(11Z)/18:1(9Z)),CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,44.548363,5.609514192
PC(24:1(15Z)/18:1(9Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,44.55621,4.737499729
DG(i-24:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,44.55693,5.579292774
TG(13:0/a-13:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,44.558834,4.802636802
TG(19:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,44.559345,4.802636802
PC(22:1(13Z)/16:1(9Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,44.561672,5.609514192
TG(8:0/a-21:0/17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,44.563396,4.802636802
TG(8:0/a-13:0/21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,44.569767,5.722453445
TG(10:0/i-15:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.572994,5.722453445
PC(18:1(9Z)/16:1(9Z)),CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,44.582428,5.609514192
TG(8:0/a-15:0/21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,44.588474,4.802636802
TG(12:0/i-21:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,44.588528,4.802636802
TG(10:0/i-17:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,44.59039,5.722453445
DG(a-13:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,44.604153,5.90515621
TG(16:0/O-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.611706,6.147347391
DG(a-15:0/0:0/a-25:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,44.630013,5.90515621
DG(a-15:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,44.63708,5.90515621
All-trans-hexaprenyl diphosphate,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,44.640427,2.592613734
TG(13:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,44.64221,4.802636802
PC(24:1(15Z)/24:1(15Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,44.643215,6.164620072
cis-13-Octadecenoic acid,CCCCC=CCCCCCCCCCCCC(O)=O,44.652607,32.10213482
DG(i-12:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,44.657623,5.579292774
TG(13:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,44.659157,4.802636802
DG(a-13:0/0:0/i-22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,44.662777,5.90515621
TG(19:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.669323,4.802636802
PC(18:1(9Z)/18:1(11Z)),CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,44.68369,5.609514192
PC(24:1(15Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,44.68785,5.346606299
TG(15:0/O-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.68967,5.841717869
DG(a-13:0/0:0/i-14:0),[H][C@](O)(COC(=O)CCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,44.69342,4.39793691
TG(18:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,44.69368,4.802636802
PE(16:1(9Z)/P-16:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,44.69906,5.121812969
PE(18:1(11Z)/P-18:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,44.700684,4.769897461
PC(22:1(13Z)/18:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,44.700844,4.737499729
TG(13:0/i-13:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.702404,5.722453445
Petroselinic acid,CCCCCCCCCCCC=CCCCCC(O)=O,44.70888,32.10213482
TG(14:0/O-18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.709908,6.147347391
PE(18:1(9Z)/P-18:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,44.710327,4.769897461
DG(i-22:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,44.710373,4.620983452
TG(13:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,44.718807,5.722453445
TG(12:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,44.729748,4.802636802
TG(8:0/a-13:0/19:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,44.734413,5.722453445
TG(13:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,44.734764,4.802636802
PC(24:1(15Z)/22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,44.73522,5.62633276
DG(a-17:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,44.739758,5.90515621
TG(18:0/O-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.743073,5.937399343
TG(13:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,44.75309,4.802636802
TG(14:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.7589,4.802636802
TG(10:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.764,5.722453445
TG(12:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,44.76474,5.722453445
DG(i-16:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,44.765602,5.90515621
TG(8:0/a-15:0/19:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,44.77296,5.722453445
TG(20:0/8:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,44.7792,4.81902808
TG(15:0/O-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.794563,5.841717869
TG(13:0/a-25:0/14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,44.7969,4.802636802
PC(22:1(13Z)/20:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,44.80458,4.737499729
TG(12:0/i-22:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,44.806015,4.802636802
DG(i-13:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,44.810886,6.831377745
DHAP(6:0),CCCCCC(=O)OCC(=O)COP(O)(O)=O,44.81159,6.477899849
TG(13:0/a-15:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,44.815945,4.802636802
TG(15:0/O-18:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.815983,5.841717869
TG(13:0/a-17:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,44.824825,4.802636802
TG(8:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,44.832413,5.722453445
TG(12:0/i-13:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.83386,5.722453445
DG(i-12:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,44.83772,4.503183812
PC(22:1(13Z)/22:1(13Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,44.837917,5.346606299
TG(17:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.847054,4.802636802
TG(15:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,44.850002,5.722453445
TG(13:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,44.85207,5.057617277
DHAP(10:0),CCCCCCCCCC(=O)OCC(=O)COP(O)(O)=O,44.858337,7.991240919
PE(20:1(11Z)/P-18:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,44.86173,4.769897461
TG(22:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.86189,4.802636802
DHAP(8:0),CCCCCCCC(=O)OCC(=O)COP(O)(O)=O,44.861916,6.260468811
DG(a-15:0/0:0/i-14:0),[H][C@](O)(COC(=O)CCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,44.862938,4.176246747
TG(14:0/O-18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.867367,5.841717869
TG(22:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.868835,4.802636802
LPA(16:0/0:0),CCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O,44.869667,2.469948493
DG(i-15:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,44.86977,5.438110232
TG(13:0/a-13:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,44.87393,4.802636802
TG(10:0/i-16:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,44.87601,4.802636802
DG(i-14:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,44.877518,5.438110232
TG(14:0/i-16:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,44.87901,4.802636802
LPA(18:0/0:0),CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O,44.880753,1.681397669
DHAP(18:0),CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(O)(O)=O,44.885906,3.316455707
PE(22:1(13Z)/P-18:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,44.888584,4.769897461
TG(12:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.89233,4.802636802
LPA(0:0/16:0),CCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O,44.893005,2.567629144
PE(18:1(11Z)/P-16:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,44.894447,5.39778918
PE(18:1(9Z)/P-16:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,44.9055,5.39778918
LPA(0:0/18:0),CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O,44.909973,1.747892983
TG(14:0/i-16:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,44.910236,4.802636802
DG(a-13:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,44.911396,4.503183812
All-trans-heptaprenyl diphosphate,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,44.91568,2.596783638
TG(14:0/i-13:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,44.92085,5.722453445
TG(15:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,44.9241,4.802636802
TG(10:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,44.927822,4.802636802
TG(10:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,44.927925,5.722453445
TG(14:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,44.92918,4.802636802
DG(i-17:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,44.93161,5.90515621
TG(10:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,44.932568,5.722453445
TG(13:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,44.936832,4.802636802
DG(a-21:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,44.93945,5.90515621
TG(10:0/i-16:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,44.941467,4.802636802
TG(10:0/i-14:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,44.946568,4.802636802
PE(24:1(15Z)/P-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,44.947105,4.769897461
TG(20:0/a-17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,44.952637,4.841376841
TG(21:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.959316,5.057617277
TG(14:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,44.962193,4.802636802
TG(13:0/21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,44.968487,5.057617277
PC(o-18:1(9Z)/18:1(11Z)),CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,44.971416,6.075387076
PE(20:1(11Z)/P-16:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,44.973953,4.769897461
DG(a-25:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,44.976982,4.955971614
TG(10:0/i-15:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,44.9813,5.722453445
TG(13:0/18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,44.98197,4.802636802
TG(10:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,44.98377,4.802636802
TG(14:0/O-18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.98866,5.841717869
DG(a-25:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,44.992626,4.620983452
TG(14:0/O-18:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,44.996216,5.841717869
TG(19:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,44.999798,4.802636802
TG(14:0/i-13:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.00052,4.802636802
PE(22:1(13Z)/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,45.00201,4.769897461
PE(24:1(15Z)/P-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,45.00613,4.769897461
DG(a-15:0/0:0/i-18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,45.014767,5.438110232
DG(i-20:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,45.032997,4.39793691
TG(16:0/a-17:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,45.046036,4.802636802
TG(13:0/17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,45.05096,4.802636802
TG(14:0/O-18:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,45.056694,5.841717869
TG(14:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.062855,4.802636802
TG(10:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,45.063286,4.802636802
TG(22:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,45.067085,4.802636802
TG(12:0/i-19:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,45.06762,4.802636802
DG(i-19:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,45.07484,4.955971614
PE(P-16:0/24:1(15Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,45.091908,4.769897461
TG(10:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,45.09502,4.802636802
TG(13:0/a-15:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,45.104523,4.802636802
TG(13:0/16:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,45.104805,4.802636802
PE(P-16:0/20:1(11Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,45.109013,4.769897461
PE(P-16:0/22:1(13Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,45.125294,4.769897461
TG(13:0/20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,45.12547,4.81902808
DG(a-17:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,45.12697,5.90515621
TG(15:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,45.129463,5.722453445
TG(14:0/i-13:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.136806,5.722453445
Octaprenyl diphosphate,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,45.139618,3.037612513
TG(12:0/i-15:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,45.146336,5.722453445
PEP-16:0/18:1(11Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,45.156807,5.39778918
TG(19:0/a-17:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,45.161976,5.057617277
PE(P-16:0/18:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,45.165604,5.39778918
DG(a-17:0/0:0/i-16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC,45.17207,5.438110232
TG(14:0/i-16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,45.17705,4.802636802
"PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,45.179474,2.307523973
DG(i-16:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,45.189003,5.90515621
TG(20:0/10:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,45.196262,4.802636802
"PG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,45.201668,2.307523973
Solanesyl-PP,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/COP(O)(=O)OP(O)(O)=O,45.21529,3.275091201
TG(22:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,45.21987,4.802636802
PE(P-16:0/14:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,45.23239,5.121812969
TG(13:0/a-17:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,45.232777,4.802636802
TG(17:0/a-17:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,45.23422,4.81902808
DG(a-13:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,45.234642,5.438110232
TG(12:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,45.248844,4.802636802
Tridecanoic acid,CCCCCCCCCCCCC(O)=O,45.25046,37.89552748
TG(12:0/i-21:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,45.25541,4.802636802
TG(14:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,45.273037,4.802636802
TG(12:0/i-18:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,45.284683,4.802636802
DG(a-13:0/0:0/i-16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)CC,45.286877,4.176246747
TG(20:0/a-15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,45.28873,5.057617277
PE(P-16:0/16:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,45.292118,5.121812969
DG(i-21:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,45.296455,5.90515621
Undecaprenyl diphosphate,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,45.296597,2.839613147
DG(i-21:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,45.307415,5.438110232
TG(14:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,45.313797,4.802636802
TG(12:0/i-13:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.32237,5.722453445
Dodecaprenyl diphosphate,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,45.323376,2.909614518
TG(12:0/i-13:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.32365,5.722453445
3-hexaprenyl-4-hydroxybenzoic acid,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O,45.3243,9.231188893
"3-Hexaprenyl-4,5-Dihydroxybenzoic acid",CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O,45.32656,3.333692253
TG(13:0/13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,45.328533,4.802636802
TG(12:0/i-13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.337345,5.722453445
Undecanoic acid,CCCCCCCCCCC(O)=O,45.345604,44.43408251
DG(a-25:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,45.34665,5.90515621
TG(14:0/i-14:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.348347,4.802636802
TG(10:0/i-24:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,45.34929,4.802636802
TG(16:0/a-17:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,45.34978,4.802636802
PC(24:1(15Z)/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,45.355736,4.737499729
PC(18:1(9Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,45.355843,4.737499729
PC(20:1(11Z)/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,45.361713,4.737499729
TG(17:0/a-17:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,45.361824,5.057617277
TG(8:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,45.365223,4.802636802
PC(16:1(9Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,45.365444,4.737499729
PC(22:1(13Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,45.366596,4.737499729
PC(18:1(9Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,45.36661,5.609514192
DG(a-15:0/0:0/i-16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,45.366776,4.503183812
PC(18:1(9E)/18:1(9E)),[H][C@@](COC(=O)CCCCCCC\C=C\CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCCCC,45.3704,5.609514192
TG(12:0/i-20:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,45.374783,4.802636802
PC(18:1(9Z)/14:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,45.374874,5.609514192
TG(12:0/i-17:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,45.376366,5.722453445
PC(18:1(11Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,45.3777,4.737499729
TG(12:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,45.37777,4.802636802
TG(16:0/a-17:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,45.378735,4.81902808
TG(19:0/a-15:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,45.383568,5.057617277
TG(12:0/i-16:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,45.384296,5.722453445
PC(16:1(9Z)/16:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,45.385925,5.609514192
TG(12:0/i-16:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,45.390285,4.802636802
PC(18:1(11Z)/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,45.392685,5.609514192
DG(a-15:0/0:0/i-20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)CC,45.39898,5.90515621
PC(18:1(11Z)/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,45.4021,5.609514192
PC(18:1(11E)/18:1(11E)),[H][C@@](COC(=O)CCCCCCCCC\C=C\CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C\CCCCCC,45.402977,5.609514192
PC(14:1(9Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,45.40307,5.609514192
PC(14:1(9Z)/18:1(11Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,45.40743,5.609514192
TG(13:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,45.434418,5.722453445
TG(13:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,45.439262,4.802636802
TG(13:0/15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,45.456974,4.802636802
TG(14:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.460365,4.802636802
TG(10:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,45.46455,4.802636802
TG(14:0/i-14:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.477448,5.722453445
PE(P-18:0/24:1(15Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,45.480495,4.769897461
TG(12:0/i-16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,45.487602,4.802636802
3-Decaprenyl-4-hydroxybenzoic acid,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C=CC(=C1)C(O)=O,45.487694,9.684568644
DG(i-18:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,45.49335,5.90515621
DG(a-25:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,45.50021,5.90515621
PE(P-18:0/22:1(13Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,45.51576,4.769897461
TG(14:0/i-14:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.520416,4.802636802
PE(P-18:0/20:1(11Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,45.525635,4.769897461
DG(i-13:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,45.52759,6.668579578
TG(13:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,45.547108,4.802636802
TG(8:0/i-13:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.54842,5.722453445
DG(i-21:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,45.55544,5.90515621
PE(P-18:0/18:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,45.564293,4.769897461
TG(12:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,45.57183,4.802636802
PE(dm18:0/18:1(11Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,45.577465,4.769897461
PE(P-18:0/14:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,45.586693,5.121812969
TG(13:0/i-12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,45.596203,5.722453445
TG(16:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,45.606483,5.722453445
DG(i-15:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,45.608246,4.39793691
PE(P-18:0/16:1(9Z)),[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,45.610718,5.39778918
DG(i-15:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,45.614143,4.176246747
cis-15-Octadecenoic acid,CCC=CCCCCCCCCCCCCCC(O)=O,45.614197,32.10213482
TG(8:0/12:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,45.617054,4.802636802
TG(13:0/14:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,45.621246,4.802636802
TG(13:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,45.623623,5.722453445
TG(8:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.624153,5.722453445
DG(i-21:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,45.624386,5.90515621
TG(12:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.630516,4.802636802
TG(13:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,45.633537,4.802636802
Glutaral,O=CCCCC=O,45.641525,51.74543858
Dolichol-14,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO,45.64317,4.599380866
DG(i-24:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,45.64611,5.90515621
"PG(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,45.646515,2.307523973
DG(i-12:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,45.663204,6.668579578
TG(8:0/i-14:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.665695,5.722453445
TG(17:0/a-15:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,45.670876,4.81902808
DG(i-14:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,45.67753,4.39793691
TG(13:0/i-12:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,45.68471,5.722453445
DG(i-14:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)C,45.685226,5.90515621
TG(8:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.690876,5.722453445
DG(i-13:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,45.699223,4.39793691
TG(8:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.701996,5.722453445
TG(12:0/i-16:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,45.702496,5.722453445
DG(i-15:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,45.70474,4.503183812
"PG(18:3(9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,45.711845,2.307523973
DG(i-12:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)C,45.71241,5.438110232
TG(12:0/i-13:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.722897,5.722453445
TG(16:0/a-15:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,45.727425,4.802636802
TG(20:0/a-17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,45.728428,4.841376841
TG(17:0/a-15:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,45.737225,4.802636802
TG(16:0/a-15:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,45.746956,4.802636802
TG(12:0/i-14:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.761078,5.722453445
TG(8:0/i-13:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.773113,5.722453445
DG(i-16:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,45.77461,4.176246747
TG(12:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.778088,4.802636802
TG(8:0/i-21:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,45.7828,5.722453445
DG(i-14:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC(C)C,45.784115,7.943159342
DG(i-17:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,45.7889,5.90515621
DG(i-24:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,45.78925,4.955971614
TG(12:0/i-14:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.792076,4.802636802
DG(i-19:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,45.7968,4.39793691
TG(16:0/a-15:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,45.799526,4.802636802
"PG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,45.82,2.307523973
TG(12:0/i-14:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.82021,5.722453445
DG(i-16:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,45.822155,5.90515621
DG(i-16:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C,45.826366,7.572990656
DG(a-25:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,45.837368,4.620983452
DG(i-12:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC(C)C,45.846626,8.751513809
TG(8:0/i-13:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.855583,5.722453445
TG(10:0/i-13:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.861614,5.722453445
TG(12:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.866035,4.802636802
TG(14:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,45.902416,5.722453445
DG(a-21:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,45.907455,4.620983452
DG(i-13:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,45.911934,5.438110232
TG(12:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.92358,4.802636802
DG(i-15:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,45.92636,5.90515621
DG(i-21:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,45.95245,5.579292774
DG(i-18:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,45.959225,4.327557236
DG(i-17:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,45.96566,5.438110232
TG(8:0/i-13:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.967705,5.722453445
TG(13:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,45.970264,4.802636802
DG(i-21:0/a-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,45.972134,5.90515621
Valeric acid,CCCCC(O)=O,45.973312,34.21663046
TG(10:0/i-19:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,45.975113,5.722453445
TG(10:0/i-14:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,45.975674,5.722453445
DG(i-24:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,45.983368,5.90515621
"PG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,45.98348,2.307523973
Caprylic acid,CCCCCCCC(O)=O,45.990757,39.48099017
DG(i-17:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,45.99272,6.668579578
TG(10:0/i-13:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,45.9951,5.722453445
Heptanoic acid,CCCCCCC(O)=O,46.008724,37.71986365
PE(14:1(9Z)/24:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,46.01111,3.911914676
DG(a-13:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,46.01498,4.327557236
"PG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,46.017868,2.307523973
Pelargonic acid,CCCCCCCCC(O)=O,46.02832,38.92037272
DG(a-25:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,46.030308,5.90515621
TG(10:0/i-22:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,46.035625,4.802636802
TG(10:0/i-16:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,46.042,4.802636802
Dodecanoic acid,CCCCCCCCCCCC(O)=O,46.05875,47.26799428
TG(13:0/i-12:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.060516,5.722453445
TG(12:0/i-14:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,46.063904,5.722453445
TG(14:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.0708,5.722453445
TG(13:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,46.08042,4.802636802
TG(19:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,46.087284,4.841376841
DG(a-17:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.08995,5.90515621
TG(13:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,46.092102,4.802636802
TG(16:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.099873,5.722453445
TG(13:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,46.101093,4.802636802
Tetracosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCC(O)=O,46.104225,10.8887665
TG(10:0/i-13:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,46.11075,5.722453445
Heptadecanoic acid,CCCCCCCCCCCCCCCCC(O)=O,46.11094,32.10213482
Caproic acid,CCCCCC(O)=O,46.11465,34.21663046
TG(10:0/i-21:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,46.11526,4.802636802
TG(19:0/a-13:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.116432,4.81902808
DG(a-15:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,46.11696,4.609746113
TG(15:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.118557,4.841376841
TG(12:0/i-13:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,46.122917,5.722453445
DG(a-15:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.123985,5.90515621
TG(10:0/i-14:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,46.12495,4.802636802
DG(i-22:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,46.12523,4.503183812
CPA(18:0/0:0),CCCCCCCCCCCCCCCCCC(=O)OCC1COP(O)(=O)O1,46.13055,4.038624838
CPA(16:0/0:0),CCCCCCCCCCCCCCCC(=O)OCC1COP(O)(=O)O1,46.137966,6.817528605
TG(10:0/i-13:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,46.143036,5.722453445
TG(20:0/8:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.162888,4.802636802
DG(a-25:0/a-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,46.163902,5.90515621
DG(i-12:0/0:0/a-15:0),[H][C@](O)(COC(=O)CCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,46.17076,4.39793691
PE(16:1(9Z)/24:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,46.171597,3.911914676
PE(14:1(9Z)/22:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,46.173344,3.911914676
"PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,46.174572,2.307523973
"PC(P-16:0/18:2(9Z,12Z))",CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.175117,5.212296918
TG(20:0/a-15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,46.17907,5.057617277
TG(12:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.180187,5.722453445
TG(12:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.183083,4.802636802
TG(14:0/i-12:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.187737,5.722453445
TG(10:0/i-16:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,46.193005,5.722453445
Myristic acid,CCCCCCCCCCCCCC(O)=O,46.194145,33.47558081
TG(15:0/a-25:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.194565,5.057617277
PE(14:1(9Z)/16:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,46.19549,4.718891531
TG(10:0/i-18:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,46.201103,5.722453445
TG(10:0/i-21:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,46.202824,5.722453445
TG(20:0/a-13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.205303,4.81902808
TG(10:0/i-14:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,46.211704,5.722453445
PE(14:1(9Z)/18:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,46.219448,4.098714516
TG(17:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,46.22336,5.057617277
Nonadecanoic acid,CCCCCCCCCCCCCCCCCCC(O)=O,46.22507,25.1597017
DG(a-25:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,46.229935,5.90515621
DG(i-13:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,46.22999,4.327557236
TG(16:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,46.234806,5.057617277
"PC(P-16:0/20:2(11Z,14Z))",CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.23629,5.212296918
TG(10:0/i-20:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,46.236454,4.802636802
DG(a-25:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,46.242123,4.955971614
"PC(P-18:0/18:2(9Z,12Z))",CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.247776,5.212296918
TG(17:0/a-13:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.2492,4.802636802
Capric acid,CCCCCCCCCC(O)=O,46.25081,41.78383648
Palmitic acid,CCCCCCCCCCCCCCCC(O)=O,46.252575,32.10213482
DG(i-17:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,46.253204,5.663807318
DG(i-20:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,46.255142,5.90515621
DG(i-16:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCC(C)C,46.257774,5.90515621
TG(8:0/i-12:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.260883,5.577648804
DG(i-12:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,46.2618,5.438110232
"PC(P-18:0/22:2(13Z,16Z))",CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,46.26226,4.321874678
TG(8:0/i-13:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,46.267433,5.577648804
TG(13:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,46.279594,4.802636802
TG(19:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,46.28461,5.057617277
TG(18:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.28902,5.969008431
TG(10:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.303547,5.722453445
TG(13:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,46.30562,4.802636802
TG(14:0/i-12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.30829,4.802636802
TG(13:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,46.308784,4.802636802
DG(i-12:0/0:0/a-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)C,46.31471,4.176246747
"PE(24:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.323864,3.740670905
TG(15:0/a-25:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.32468,4.841376841
TG(10:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,46.329388,4.802636802
TG(17:0/a-13:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.33209,4.802636802
TG(13:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,46.337406,4.802636802
DG(i-14:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,46.340637,5.90515621
DG(i-13:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,46.348167,4.503183812
PE(14:1(9Z)/15:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,46.350216,4.718891531
TG(14:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.35262,4.802636802
TG(14:0/a-25:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.353188,5.057617277
TG(10:0/i-15:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,46.35905,5.722453445
TG(21:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,46.360493,4.802636802
Heneicosanoic acid,CCCCCCCCCCCCCCCCCCCCC(O)=O,46.36727,17.53277928
3-Methylthiopropionic acid,CSCCC(O)=O,46.367527,14.53369856
DG(a-21:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,46.368607,5.90515621
TG(10:0/i-16:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,46.368893,5.722453445
"PC(o-18:1(11Z)/18:2(9Z,12Z))",CCCCCC\C=C/CCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.371113,5.186282098
TG(22:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.372856,4.802636802
TG(13:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,46.37504,4.802636802
TG(10:0/i-13:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,46.37697,5.722453445
TG(10:0/i-16:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,46.378307,4.802636802
DG(i-20:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.38321,4.955971614
"PE(24:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.38504,3.740670905
PE(14:1(9Z)/20:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,46.388523,3.911914676
TG(16:0/a-13:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.39373,4.802636802
PE(16:1(9Z)/22:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,46.394016,3.911914676
DG(a-13:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.39544,5.90515621
TG(16:0/a-13:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.396896,4.802636802
TG(10:0/i-24:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,46.397533,4.802636802
TG(10:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.399723,5.722453445
DG(i-14:0/0:0/a-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)C,46.40738,4.503183812
PE(16:1(9Z)/16:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,46.412247,4.098714516
"PE(24:0/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,46.415398,3.740670905
TG(21:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,46.419594,4.802636802
TG(13:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,46.42425,4.802636802
PE(18:1(11Z)/24:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,46.42458,3.911914676
TG(13:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,46.440014,4.802636802
TG(17:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,46.443398,4.81902808
Arachidic acid,CCCCCCCCCCCCCCCCCCCC(O)=O,46.445004,22.29513526
PE(16:1(9Z)/18:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,46.447704,3.911914676
TG(14:0/i-12:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.454666,5.722453445
TG(13:0/i-12:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.455757,5.722453445
TG(8:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,46.460773,5.722453445
DG(i-13:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,46.462673,5.579292774
Pentadecanoic acid,CCCCCCCCCCCCCCC(O)=O,46.468246,30.9610188
TG(16:0/a-13:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.469803,4.802636802
TG(19:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.47529,4.802636802
TG(13:0/a-17:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,46.479347,4.802636802
DG(i-15:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,46.47949,6.831377745
TG(10:0/i-13:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,46.481487,5.722453445
TG(13:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,46.481632,4.802636802
DG(i-20:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,46.4861,5.90515621
Pentacosanoic acid,CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,46.486927,13.26012462
DG(i-18:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,46.48789,5.579292774
DG(a-21:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,46.488693,4.955971614
PE(24:1(15Z)/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,46.49991,4.452895001
DG(i-13:0/a-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,46.50063,4.609746113
"PC(o-16:1(9Z)/18:2(9Z,12Z))",CCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.501328,5.186282098
PE(20:1(11Z)/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,46.503056,4.452895001
Stearic acid,CCCCCCCCCCCCCCCCCC(O)=O,46.504726,32.10213482
TG(13:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,46.508163,4.802636802
TG(10:0/i-17:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,46.510303,5.722453445
PE(14:1(9Z)/14:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,46.519142,4.718891531
DG(i-13:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,46.522194,4.503183812
TG(10:0/i-16:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,46.523193,5.722453445
PE(22:1(13Z)/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,46.52333,4.452895001
"5,6-Dihydro-5,6-dihydroxy-y,y-carotene",CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)CCC(O)C(C)(O)CCC=C(C)C,46.52357,6.295931339
TG(13:0/a-21:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,46.52499,4.802636802
TG(13:0/a-15:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,46.526096,4.802636802
"PC(o-18:1(9Z)/18:2(9Z,12Z))",CCCCCCCC\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.52699,5.186282098
PE(18:1(9Z)/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,46.532,4.452895001
PE(24:1(15Z)/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,46.537106,4.452895001
DG(i-20:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,46.54049,5.438110232
"PC(o-22:1(13Z)/22:2(13Z,16Z))",CCCCCCCC\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,46.54108,4.300303385
5-cis-Lycopene,CC(C)=CCC\C(C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)CCC=C(C)C,46.544003,6.65865466
"PC(12:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.55098,5.609514192
DG(i-19:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,46.555202,5.90515621
TG(13:0/a-21:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,46.556313,4.81902808
TG(12:0/i-14:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,46.556755,5.722453445
PE(20:1(11Z)/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,46.56272,4.452895001
DG(i-18:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,46.567574,5.90515621
PE(16:1(9Z)/15:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,46.57324,4.200528935
TG(12:0/a-25:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.57579,4.81902808
PE(18:1(11Z)/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,46.57804,4.452895001
TG(15:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.57831,5.722453445
PE(22:1(13Z)/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,46.578682,4.452895001
"PG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,46.579456,2.307523973
"cis-5,6-Dihydro-5,6-dihydroxy-carotene",CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)C(C)(O)CCC=C(C)C,46.582874,5.897469446
TG(10:0/i-15:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,46.583546,5.722453445
"PC(17:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.59023,5.609514192
TG(16:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,46.590897,4.81902808
TG(8:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,46.59191,5.722453445
"PG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,46.600834,2.307523973
TG(20:0/8:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.605064,4.802636802
DG(i-12:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.608944,5.90515621
DG(i-20:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,46.61181,5.90515621
PE(18:1(9Z)/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,46.612152,4.452895001
"PC(14:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.61557,5.609514192
Lycopene,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C,46.618496,6.65865466
TG(16:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.618984,5.722453445
"PC(20:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.62686,4.737499729
"PC(16:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.628464,5.609514192
"PG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,46.628902,2.307523973
DG(i-22:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,46.63037,5.90515621
TG(13:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,46.631298,4.802636802
"3'-hydroxy-e,e-caroten-3-one",C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CC(=O)CC1(C)C,46.63259,2.727679722
"(9-cis,9'-cis)-7,7',8,8'-Tetrahydro-y,y-Carotene",CC(C)=CCC\C(C)=C\CC\C(C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)CC\C=C(/C)CCC=C(C)C,46.636463,6.65865466
"PC(16:0/18:2(9E,12E))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC,46.637943,5.609514192
PE(18:1(11Z)/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,46.644867,4.452895001
DG(i-18:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,46.646755,5.438110232
TG(12:0/i-12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.649033,5.722453445
PE(16:1(9Z)/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,46.650986,5.039057881
"PC(13:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.65727,5.609514192
"PC(18:0/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,46.659878,4.737499729
"3-cis-Hydroxy-b,e-Caroten-3'-one",C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC=CC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,46.660294,3.214785084
DG(i-19:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,46.663822,5.90515621
"E,e-Carotene-3,3'-dione",C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(=O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)=CC(=O)CC1(C)C,46.672844,3.18928808
DG(i-24:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,46.67412,5.90515621
TG(12:0/i-12:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.674686,5.722453445
"PC(22:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.67963,4.737499729
TG(20:0/8:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.68546,5.722453445
"PC(24:0/22:2(6Z,13Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/CCCCC\C=C/CCCCCCCC,46.686657,5.62633276
TG(12:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.686996,4.802636802
10-Nitrolinoleic acid,CCCCC\C=C/C\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O,46.69117,11.06555238
Alpha-Carotene,C\C(\C=C\C=C(/C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,46.69382,2.95071695
TG(8:0/i-16:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,46.69945,5.722453445
"PC(13:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.702194,5.609514192
TG(13:0/a-21:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,46.70948,4.802636802
16-hydroxy hexadecanoic acid,OCCCCCCCCCCCCCCCC(O)=O,46.711395,24.2364943
"3-Hydroxy-b,e-caroten-3'-one",C\C(\C=C\C=C(/C)\C=C\C1C(C)=CC(=O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C,46.71149,2.720247768
PE(14:1(9Z)/P-18:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,46.71348,4.781422764
TG(10:0/i-14:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,46.717716,5.722453445
TG(8:0/i-14:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,46.71882,5.722453445
PE(16:1(9Z)/20:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,46.72182,3.911914676
PE(16:1(9Z)/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,46.723423,5.039057881
DG(a-15:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,46.723686,5.90515621
DG(a-13:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,46.729332,5.579292774
Behenic acid,CCCCCCCCCCCCCCCCCCCCCC(O)=O,46.730423,13.18304986
PE(18:1(11Z)/16:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,46.745327,3.911914676
B-Carotene,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,46.74729,3.827780113
TG(19:0/a-13:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.74977,4.81902808
TG(10:0/10:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,46.75047,5.722453445
TG(8:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,46.756344,5.722453445
"cis-b,b-Carotene",C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,46.756493,3.827780113
TG(10:0/i-22:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,46.75916,4.802636802
PE(18:1(11Z)/18:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,46.766506,3.911914676
DG(i-13:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,46.76654,4.176246747
TG(13:0/a-21:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,46.773518,4.802636802
PE(18:1(11Z)/22:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,46.77493,3.911914676
TG(8:0/i-20:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,46.780643,5.722453445
TG(13:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,46.78315,4.802636802
"PG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,46.78423,2.307523973
DG(a-13:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,46.78631,6.831377745
TG(20:0/a-13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.792786,5.057617277
DG(i-19:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,46.79574,5.579292774
4-Hydroxynonenal,CCCCCC(O)\C=C\C=O,46.79624,46.24922872
"PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,46.809372,4.103897139
TG(8:0/15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,46.818066,5.722453445
DG(i-18:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,46.820587,5.90515621
TG(12:0/i-12:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.821682,5.722453445
Tricosanoic acid,CCCCCCCCCCCCCCCCCCCCCCC(O)=O,46.82529,10.8887665
TG(10:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,46.830845,5.722453445
TG(18:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,46.831577,5.722453445
TG(13:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,46.833813,4.802636802
PE(14:1(9Z)/P-18:1(11Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,46.839478,4.781422764
DG(i-24:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,46.83968,5.90515621
DG(a-15:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,46.84798,6.668579578
12-Hydroxydodecanoic acid,OCCCCCCCCCCCC(O)=O,46.851326,34.35032368
DG(a-21:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,46.86021,5.579292774
DG(i-14:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,46.86049,5.90515621
DG(a-17:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,46.865166,4.503183812
TG(13:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,46.866295,4.802636802
DG(i-22:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,46.86817,5.90515621
TG(8:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.86844,5.722453445
TG(8:0/i-19:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,46.871246,5.722453445
"PC(18:1(9Z)/20:2(11Z,14Z))",CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.873062,4.619547352
"PC(22:1(13Z)/20:2(11Z,14Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.877235,3.901425749
TG(15:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,46.87844,5.722453445
TG(8:0/i-20:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,46.879898,5.722453445
"PG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,46.883217,2.307523973
"PG(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,46.894913,2.307523973
TG(12:0/i-12:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,46.899082,5.722453445
"PC(18:1(9Z)/22:2(13Z,16Z))",CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,46.899765,3.901425749
DG(a-17:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,46.901756,4.39793691
"PC(22:1(13Z)/22:2(13Z,16Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,46.904327,3.901425749
all-trans-Phytofluene,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C,46.90783,6.65865466
TG(17:0/a-13:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,46.91046,4.802636802
"PC(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,46.91078,4.103897139
TG(13:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,46.911118,4.802636802
"PC(22:1(13Z)/18:2(9Z,12Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.915947,3.901425749
TG(13:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,46.917786,4.802636802
TG(20:0/10:0/a-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,46.922726,4.802636802
"PG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,46.924545,2.307523973
PE(16:1(9Z)/14:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,46.928043,4.718891531
Phytofluene,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C,46.934425,6.65865466
TG(13:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,46.93484,4.802636802
PE(18:1(9Z)/24:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,46.940228,3.911914676
DG(i-22:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,46.940804,5.90515621
TG(10:0/i-20:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,46.941593,5.722453445
TG(8:0/i-22:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,46.94443,4.802636802
TG(10:0/i-19:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,46.94493,5.722453445
DG(a-13:0/0:0/a-15:0),[H][C@](O)(COC(=O)CCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,46.947285,4.609746113
DG(a-25:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,46.94828,5.90515621
"PC(20:1(11Z)/20:2(11Z,14Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.951717,3.901425749
TG(10:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,46.962692,5.722453445
TG(8:0/20:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,46.965202,4.802636802
"PG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,46.967197,2.307523973
"PC(24:1(15Z)/20:2(11Z,14Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,46.9681,3.901425749
"PC(20:1(11Z)/22:2(13Z,16Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,46.969894,3.901425749
DG(a-17:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,46.972652,5.90515621
TG(17:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,46.972935,5.722453445
DG(i-19:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,46.979427,5.90515621
"PC(24:1(15Z)/22:2(13Z,16Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,46.980812,4.105542228
TG(8:0/16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,46.981487,5.722453445
"PC(20:1(11Z)/18:2(9Z,12Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,46.98336,4.619547352
"PC(14:1(9Z)/18:3(6Z,9Z,12Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,46.98749,4.103897139
DG(i-20:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,46.990845,5.90515621
TG(8:0/17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,46.99334,5.722453445
TG(13:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,46.99706,4.802636802
DG(a-15:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,47.001083,4.39793691
DG(a-21:0/0:0/10:0),[H][C@](O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.00265,4.503183812
"PG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,47.003136,2.307523973
"PC(24:1(15Z)/18:2(9Z,12Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.003845,3.901425749
"PG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.0043,2.307523973
"PG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.005142,2.307523973
DG(i-22:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,47.006817,5.90515621
Phytoene,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,47.006905,6.65865466
TG(8:0/i-16:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,47.01355,5.722453445
"PG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,47.018803,2.307523973
TG(8:0/i-18:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,47.021957,5.722453445
TG(13:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,47.024216,4.802636802
"PC(14:1(9Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,47.024643,4.103897139
TG(8:0/14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,47.026035,5.722453445
TG(12:0/i-12:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,47.026173,5.722453445
DG(a-13:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,47.041904,6.668579578
DG(i-16:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.042683,5.90515621
TG(10:0/i-18:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,47.046524,5.722453445
"PG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,47.057518,2.307523973
TG(19:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,47.05838,4.802636802
"PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.072994,2.307523973
TG(16:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,47.079224,5.722453445
TG(8:0/18:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,47.080265,4.802636802
DG(a-17:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,47.085567,4.176246747
DG(a-13:0/0:0/a-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,47.085934,4.503183812
TG(10:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.086876,4.802636802
TG(8:0/i-16:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,47.087734,4.802636802
"PG(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,47.09182,2.307523973
"PE(14:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,47.092354,3.740670905
TG(8:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,47.094814,5.722453445
DG(a-15:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,47.096073,4.176246747
DG(i-17:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,47.0975,4.503183812
"PE(16:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,47.09958,3.740670905
"PE(22:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.108162,3.740670905
"PC(16:1(9Z)/20:2(11Z,14Z))",CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,47.108795,4.619547352
"PG(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.10934,2.307523973
TG(10:0/i-14:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.110363,5.722453445
"PG(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.11127,2.307523973
"PE(14:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.114277,3.919293731
"PE(16:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.11619,3.740670905
"PE(22:0/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,47.117447,3.740670905
"PE(18:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,47.117798,3.740670905
TG(16:0/a-13:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,47.118668,4.802636802
"PC(16:1(9Z)/22:2(13Z,16Z))",CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,47.119286,4.619547352
"PE(22:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,47.119373,3.740670905
"PE(14:0/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,47.11966,3.740670905
"PE(20:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,47.120045,3.740670905
"PE(18:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.121277,3.740670905
"PE(16:0/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,47.121876,3.740670905
"PE(20:0/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,47.12226,3.740670905
"PE(20:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.123726,3.740670905
"PE(18:0/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,47.123917,3.740670905
"PC(16:1(9Z)/18:2(9Z,12Z))",CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.124146,4.619547352
"PE(15:0/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,47.12728,3.740670905
PE(18:1(11Z)/15:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,47.127365,4.098714516
"PE(15:0/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.133957,3.919293731
"PG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.134727,2.307523973
"PC(16:1(9Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,47.13543,4.103897139
"PE(15:0/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,47.135857,3.740670905
DG(a-13:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC,47.13934,5.579292774
"PC(18:1(11Z)/20:2(11Z,14Z))",CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,47.14076,4.619547352
"PC(18:1(11Z)/18:2(9Z,12Z))",CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.14834,4.619547352
TG(8:0/i-21:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,47.149784,5.722453445
"PC(18:1(11Z)/22:2(13Z,16Z))",CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,47.154285,3.901425749
"PG(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,47.15668,2.307523973
TG(10:0/i-16:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,47.15708,5.722453445
TG(21:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,47.16043,4.802636802
DG(a-13:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,47.17178,5.90515621
DG(i-13:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,47.17724,4.39793691
DG(a-13:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,47.18214,4.609746113
DG(i-15:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,47.182514,4.609746113
DG(a-15:0/0:0/a-17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,47.190083,5.663807318
TG(8:0/i-13:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,47.190876,5.101852491
TG(8:0/i-16:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,47.19992,5.722453445
DG(a-13:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,47.202183,4.39793691
"PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,47.205406,2.307523973
TG(14:0/a-25:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.217762,4.81902808
"PC(14:1(9Z)/20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,47.219234,4.103897139
TG(8:0/i-17:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,47.219364,5.722453445
"PC(18:1(11Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,47.221184,4.103897139
DG(a-15:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,47.234234,5.438110232
PE(18:1(11Z)/20:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,47.23481,3.911914676
DG(i-15:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,47.238125,4.503183812
"PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.24553,2.307523973
"PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.24572,2.307523973
DG(a-15:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,47.246735,4.503183812
DG(a-17:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCC(C)CC,47.24757,5.90515621
DG(a-15:0/0:0/a-21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCC(C)CC,47.24949,5.90515621
TG(14:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.24991,4.841376841
Heptanal,CCCCCCC=O,47.261684,58.99893045
TG(21:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,47.270443,4.802636802
"PG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.27621,2.307523973
DG(a-21:0/0:0/12:0),[H][C@](O)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.28599,5.438110232
TG(8:0/i-24:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,47.290478,4.802636802
TG(10:0/i-12:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,47.292866,5.722453445
TG(17:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,47.298706,5.722453445
"PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,47.29903,2.307523973
TG(10:0/i-17:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,47.2995,5.722453445
DG(i-18:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,47.303814,4.503183812
DG(i-19:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,47.307175,5.663807318
DG(i-24:0/a-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,47.30784,5.90515621
TG(10:0/i-14:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.322544,5.722453445
TG(14:0/a-25:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.33723,5.057617277
DG(a-17:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,47.34033,4.503183812
TG(10:0/i-14:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.340492,5.722453445
TG(15:0/a-17:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,47.349487,4.81902808
TG(8:0/i-22:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,47.34955,5.722453445
DG(a-13:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,47.35298,4.503183812
TG(10:0/19:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,47.353382,7.431530952
DG(a-25:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,47.35667,5.90515621
TG(12:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.366188,5.057617277
TG(8:0/i-19:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,47.369785,5.722453445
DG(a-25:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,47.382767,5.90515621
DG(a-15:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,47.38914,5.90515621
TG(12:0/a-25:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.38951,4.802636802
DG(i-15:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,47.398018,5.663807318
TG(10:0/19:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,47.401154,7.431530952
TG(22:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,47.40766,4.802636802
PE(20:1(11Z)/24:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,47.418392,3.911914676
TG(8:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,47.422115,4.802636802
"PE(22:0/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,47.434513,3.752648458
TG(12:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,47.43974,5.722453445
DG(i-15:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.44288,5.90515621
PE(18:1(9Z)/22:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,47.44809,3.911914676
"PE(22:0/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,47.453358,3.752648458
TG(19:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,47.457127,5.722453445
TG(14:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.458076,5.057617277
"PE(22:0/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,47.4603,3.752648458
"PE(20:0/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,47.462036,3.752648458
TG(8:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,47.462452,5.722453445
TG(13:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,47.464436,5.722453445
DG(i-15:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,47.473034,5.663807318
PE(22:1(13Z)/24:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,47.47504,3.911914676
"PE(20:0/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,47.47611,3.752648458
TG(10:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,47.478825,5.722453445
TG(10:0/i-12:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,47.4814,5.722453445
"PE(20:0/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,47.486015,3.752648458
"PE(15:0/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,47.48707,3.931843117
DG(a-17:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,47.489063,5.663807318
"PE(18:0/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,47.489975,3.752648458
"PE(15:0/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,47.492508,3.752648458
"PE(18:0/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,47.49393,3.752648458
"PE(16:0/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,47.49486,4.246633127
"PE(16:0/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,47.49899,3.752648458
TG(12:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,47.503872,5.577648804
DG(a-17:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,47.506714,5.90515621
"PE(22:0/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,47.5096,3.752648458
"PE(15:0/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,47.511463,3.752648458
"PE(18:0/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,47.51332,3.752648458
"PE(16:0/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,47.514393,3.752648458
PE(18:1(9Z)/16:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,47.517494,3.911914676
TG(12:0/a-25:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.520794,4.81902808
TG(10:0/19:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,47.52714,7.431530952
TG(14:0/a-25:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.527756,5.057617277
TG(13:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,47.534462,5.722453445
"PE(20:0/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,47.535076,3.752648458
TG(8:0/i-18:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,47.537605,5.722453445
DG(i-15:0/a-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,47.54016,4.503183812
PE(18:1(11Z)/14:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,47.541412,4.098714516
DG(a-15:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,47.541943,5.90515621
TG(15:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,47.54286,4.81902808
Octanal,CCCCCCCC=O,47.548,57.50621557
TG(10:0/22:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,47.55673,7.431530952
"PE(14:0/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,47.55762,3.931843117
"PE(14:0/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,47.56051,4.246633127
PE(18:1(9Z)/18:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,47.56112,3.911914676
TG(10:0/21:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,47.561626,7.431530952
TG(10:0/i-12:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,47.569824,5.722453445
"PE(15:0/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,47.570477,3.931843117
DG(a-17:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,47.57068,5.90515621
TG(8:0/i-16:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,47.573143,5.722453445
TG(8:0/15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,47.576252,5.722453445
"PE(18:0/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,47.57859,3.752648458
TG(8:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,47.58219,5.722453445
"PE(20:2(11Z,14Z)/P-18:0)",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,47.582603,4.452895001
"PE(20:2(11Z,14Z)/P-16:0)",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,47.58401,4.452895001
"PE(14:0/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,47.585823,4.246633127
"PE(16:0/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,47.586002,4.246633127
TG(14:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.58737,5.057617277
TG(10:0/18:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,47.58973,7.431530952
TG(10:0/17:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,47.592377,7.431530952
TG(10:0/19:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,47.602226,7.431530952
TG(10:0/i-16:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,47.604797,5.722453445
TG(8:0/i-14:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.60571,5.722453445
"PE(22:2(13Z,16Z)/P-18:0)",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,47.60599,4.452895001
"PE(18:2(9Z,12Z)/P-18:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,47.611187,4.452895001
"PE(22:2(13Z,16Z)/P-16:0)",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,47.611336,4.452895001
"PE(18:2(9Z,12Z)/P-16:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,47.61373,5.039057881
DG(a-15:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,47.6186,4.503183812
TG(10:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.629707,4.802636802
TG(8:0/21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,47.630962,4.802636802
TG(18:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,47.635017,5.057617277
TG(10:0/i-12:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,47.651817,5.722453445
TG(10:0/a-21:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.655045,4.802636802
TG(8:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,47.657673,5.577648804
TG(12:0/a-25:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.658474,5.057617277
TG(13:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,47.66232,5.722453445
TG(12:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.679707,5.057617277
DG(i-22:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.680748,5.90515621
TG(8:0/i-14:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.688755,5.722453445
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.69141,1.740502194
TG(15:0/a-13:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,47.692535,4.802636802
TG(10:0/i-14:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.696514,5.722453445
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.696823,2.19596643
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.697193,1.740502194
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.697212,1.740502194
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.697247,2.19596643
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.697575,1.330885664
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.697647,2.19596643
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.697807,1.740502194
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.698086,2.19596643
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.6982,1.740502194
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.69846,1.740502194
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.69868,2.19596643
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.69905,1.468865294
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.69997,1.330885664
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.69997,1.330885664
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.699978,1.330885664
DG(a-15:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,47.700287,4.503183812
Not Found,[H]O[C@@]([H])(C([H])([H])OP(=O)(O[H])O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H],47.70029,1.468865294
"PE(14:0/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,47.70292,3.931843117
DG(i-20:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,47.704155,5.90515621
TG(8:0/i-17:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,47.706066,5.722453445
DG(a-21:0/0:0/14:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.709007,5.90515621
DG(i-17:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,47.710636,5.90515621
DG(a-21:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,47.717365,5.90515621
TG(8:0/19:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,47.718693,4.802636802
TG(10:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,47.724506,5.722453445
TG(8:0/i-15:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,47.72828,5.577648804
TG(10:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,47.730606,5.722453445
TG(10:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,47.74299,4.802636802
TG(8:0/20:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,47.745003,4.802636802
DG(i-12:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,47.77197,6.668579578
PE(20:1(11Z)/16:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,47.777122,3.911914676
TG(8:0/i-14:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.78733,5.722453445
DG(i-22:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,47.795177,5.90515621
TG(18:0/a-17:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,47.79889,5.057617277
DG(a-25:0/0:0/a-25:0),[H]C(O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,47.806652,4.620983452
PE(24:1(15Z)/24:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,47.811436,3.911914676
TG(8:0/17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,47.81503,5.722453445
TG(8:0/16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,47.81706,5.722453445
TG(10:0/17:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,47.818523,7.431530952
TG(18:0/a-13:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,47.824196,4.81902808
PE(20:1(11Z)/18:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,47.828224,3.911914676
PE(18:1(9Z)/15:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,47.82908,4.098714516
DG(i-17:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,47.837086,5.90515621
TG(10:0/22:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,47.85853,7.431530952
PE(20:1(11Z)/22:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,47.861317,3.911914676
DG(a-13:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,47.862213,5.438110232
Pentanal,CCCCC=O,47.866096,53.70333195
DG(a-13:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,47.87189,4.176246747
TG(10:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,47.87323,5.577648804
TG(15:0/a-15:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,47.876617,4.802636802
TG(10:0/a-21:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.876698,4.81902808
PC(P-18:1(9Z)/P-18:1(11Z)),[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,47.87742,3.907915205
"PC(18:2(9Z,12Z)/14:1(9Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,47.87815,4.619547352
"PC(20:2(11Z,14Z)/14:1(9Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,47.879562,4.619547352
DG(a-13:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,47.880554,6.668579578
"PC(O-16:0/18:2(9Z,12Z))",CCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.881077,6.075387076
"PC(o-18:0/18:2(9Z,12Z))",CCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,47.888054,6.075387076
PC(P-18:1(11Z)/P-18:1(11Z)),[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,47.888817,3.907915205
PC(P-18:1(9Z)/P-18:1(9Z)),[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,47.88928,3.907915205
TG(15:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,47.892624,4.802636802
TG(8:0/18:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,47.89321,5.722453445
PC(P-18:1(11Z)/P-18:1(9Z)),[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,47.899033,3.907915205
TG(10:0/18:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,47.901043,7.431530952
DG(i-20:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,47.90932,5.90515621
Hexanal,CCCCCC=O,47.912563,57.53737092
TG(8:0/i-12:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,47.917583,5.722453445
"PC(22:2(13Z,16Z)/14:1(9Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,47.933315,4.619547352
TG(18:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,47.934086,5.057617277
TG(21:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,47.943493,4.802636802
DG(a-17:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,47.944443,5.438110232
TG(12:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,47.9454,4.81902808
TG(13:0/a-17:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,47.950138,4.802636802
TG(10:0/i-14:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,47.9533,5.722453445
PE(22:1(13Z)/16:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,47.971233,3.911914676
PE(22:1(13Z)/18:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,47.973488,3.911914676
PE(18:1(9Z)/20:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,47.974033,3.911914676
TG(10:0/19:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,47.975517,7.431530952
DG(a-13:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,47.990833,4.609746113
TG(8:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,47.991005,5.577648804
TG(10:0/21:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,47.99444,7.431530952
TG(13:0/a-17:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.000935,4.802636802
DG(a-13:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,48.010323,4.535977542
PE(22:1(13Z)/22:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,48.011032,3.911914676
TG(13:0/a-21:0/14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.012756,4.802636802
DG(a-17:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,48.02005,5.90515621
2-Undecyne,CCCCCCCCC#CC,48.025833,49.51657057
TG(15:0/a-17:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.027565,4.802636802
TG(8:0/i-16:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,48.03308,5.722453445
"PC(o-24:0/18:3(6Z,9Z,12Z))",CCCCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,48.04315,4.300303385
"PC(o-20:0/18:3(6Z,9Z,12Z))",CCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,48.044262,4.876318946
"PC(o-22:0/18:3(6Z,9Z,12Z))",CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,48.045944,4.300303385
TG(17:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,48.04608,5.722453445
"PC(o-24:0/18:3(9Z,12Z,15Z))",CCCCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,48.048775,4.300303385
"PC(o-22:0/18:3(9Z,12Z,15Z))",CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,48.0506,4.300303385
"PC(o-20:0/18:3(9Z,12Z,15Z))",CCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,48.05091,4.876318946
"PC(o-22:0/22:3(10Z,13Z,16Z))",CCCCCCCCCCCCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,48.05222,4.300303385
TG(8:0/19:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,48.057137,7.431530952
DG(i-20:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,48.057907,5.90515621
TG(13:0/a-17:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.059334,4.802636802
TG(10:0/16:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,48.086353,8.854842186
TG(8:0/i-14:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,48.090508,5.722453445
N-Heptane,CCCCCCC,48.09605,54.40708995
TG(10:0/a-21:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.101192,4.802636802
TG(10:0/16:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,48.105213,7.431530952
TG(8:0/i-12:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.109932,5.722453445
DG(a-17:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,48.110577,5.663807318
TG(18:0/a-15:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,48.119247,4.81902808
PE(20:1(11Z)/15:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,48.12228,3.911914676
TG(10:0/a-25:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,48.12565,4.802636802
TG(10:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,48.1283,4.802636802
TG(10:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,48.12847,5.722453445
TG(13:0/a-17:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.129173,4.802636802
TG(8:0/13:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,48.13608,5.722453445
TG(14:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.140244,4.81902808
PE(18:1(9Z)/14:0),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,48.142235,4.098714516
DG(i-15:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,48.151733,5.90515621
TG(13:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,48.15284,5.722453445
TG(10:0/a-25:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,48.153748,4.81902808
TG(10:0/a-25:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,48.159977,5.057617277
DG(i-19:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.161556,5.90515621
DG(i-21:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,48.172504,5.90515621
TG(19:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,48.172672,5.722453445
Nonanal,CCCCCCCCC=O,48.175865,59.89301801
PE(20:1(11Z)/20:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,48.19,3.911914676
TG(10:0/19:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,48.195534,8.854842186
PE(22:1(13Z)/15:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,48.197357,3.911914676
"PC(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,48.19759,4.103897139
PE(24:1(15Z)/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,48.210052,3.911914676
DG(i-21:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,48.22079,5.90515621
1-Octene,CCCCCCC=C,48.22196,64.63937163
DG(a-21:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,48.222534,5.90515621
TG(13:0/a-17:0/14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.22387,4.802636802
Decanal,CCCCCCCCCC=O,48.229412,71.36723399
DG(i-21:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,48.231056,4.176246747
TG(10:0/a-25:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,48.23897,4.802636802
PE(24:1(15Z)/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,48.241962,3.911914676
DG(i-19:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,48.24894,5.90515621
DG(a-15:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,48.255524,5.663807318
TG(10:0/19:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,48.263645,7.431530952
TG(10:0/i-12:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.267353,5.722453445
TG(18:0/a-17:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.272446,4.81902808
TG(8:0/i-20:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,48.273914,5.722453445
PE(24:1(15Z)/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,48.27682,3.911914676
DG(i-15:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC(C)C,48.281322,5.579292774
DG(a-21:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,48.281883,5.90515621
DG(i-18:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,48.286236,5.90515621
TG(8:0/i-12:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.300755,5.722453445
DG(i-22:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,48.309513,5.90515621
DG(i-24:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,48.311077,5.663807318
PE(20:1(11Z)/14:0),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,48.314816,3.911914676
TG(8:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,48.315983,5.722453445
TG(14:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.32315,4.81902808
PE(22:1(13Z)/20:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,48.331512,3.911914676
TG(15:0/a-13:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,48.33285,4.802636802
TG(10:0/21:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,48.334553,7.431530952
DG(i-22:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,48.335648,5.90515621
DG(i-18:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,48.34217,5.90515621
TG(8:0/19:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,48.34465,8.854842186
TG(10:0/18:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,48.344852,8.854842186
DG(i-21:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,48.345634,5.90515621
TG(12:0/a-25:0/14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,48.351925,4.802636802
"PC(22:4(7Z,10Z,13Z,16Z)/14:1(9Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,48.352146,4.103897139
N-Decane,CCCCCCCCCC,48.3529,82.54083991
TG(10:0/17:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,48.35914,8.854842186
DG(i-19:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,48.365326,5.90515621
TG(8:0/i-14:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,48.365997,5.722453445
DG(i-13:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,48.37176,5.90515621
TG(8:0/i-24:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,48.376205,5.722453445
TG(10:0/22:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,48.37996,7.431530952
CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:1(11Z)),CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OCC(O)([H])COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,48.381443,1.248175371
TG(8:0/21:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,48.38539,8.854842186
TG(8:0/i-19:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,48.39085,5.722453445
DG(i-17:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.402718,5.90515621
TG(10:0/i-12:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.404655,5.722453445
DG(i-17:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,48.41431,5.579292774
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,48.414608,1.130926516
DG(i-13:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C,48.419125,4.503183812
1-Heptanol,CCCCCCCO,48.41936,43.35625768
PE(24:1(15Z)/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,48.423187,3.911914676
TG(10:0/13:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,48.42655,8.854842186
PE(22:1(13Z)/14:0),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,48.43466,3.911914676
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,48.459812,1.130926516
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(9Z))",[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,48.46141,1.130926516
TG(10:0/16:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,48.46823,8.854842186
Octane,CCCCCCCC,48.469364,61.75599098
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/18:1(11Z))",[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,48.469963,1.130926516
TG(10:0/13:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,48.481014,8.854842186
DG(i-17:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C,48.48342,5.90515621
TG(8:0/i-22:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,48.48442,5.722453445
TG(10:0/18:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,48.4868,7.431530952
TG(18:0/a-13:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,48.48998,4.802636802
TG(8:0/22:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,48.495724,8.854842186
TG(10:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.498936,5.722453445
DG(i-21:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,48.499477,5.90515621
PE(24:1(15Z)/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,48.50874,3.911914676
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,48.51066,1.130926516
TG(8:0/13:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,48.51331,8.854842186
TG(8:0/13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,48.515545,5.722453445
TG(14:0/a-17:0/21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.51647,4.802636802
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z))",[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,48.53891,1.130926516
TG(8:0/i-18:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,48.539238,5.722453445
TG(10:0/17:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,48.540665,7.431530952
TG(8:0/22:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,48.55127,4.802636802
TG(8:0/i-12:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.55486,5.722453445
TG(12:0/a-21:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.562054,4.802636802
TG(13:0/a-13:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,48.5708,4.802636802
TG(22:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,48.57089,4.802636802
DG(i-18:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.58271,5.90515621
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(9Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,48.584682,1.130926516
TG(10:0/20:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,48.585533,8.854842186
Palmitaldehyde,CCCCCCCCCCCCCCCC=O,48.58686,52.09167004
PE(24:1(15Z)/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,48.587254,3.911914676
TG(12:0/a-17:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.589157,4.802636802
TG(8:0/19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,48.589954,5.722453445
TG(15:0/a-15:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,48.59159,4.802636802
TG(12:0/a-21:0/13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.594593,4.802636802
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)/18:1(11Z))",[H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,48.59578,1.130926516
TG(8:0/17:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,48.597588,8.854842186
Stearaldehyde,CCCCCCCCCCCCCCCCCC=O,48.598232,52.09167004
TG(10:0/13:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,48.59992,8.854842186
TG(10:0/21:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,48.60096,8.395817876
DG(i-22:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C,48.609463,5.90515621
TG(8:0/i-17:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,48.614742,5.722453445
TG(13:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,48.62121,5.722453445
DG(a-17:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)CC,48.625446,5.579292774
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:1(9Z))",[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,48.632126,1.130926516
TG(10:0/i-12:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.63248,5.722453445
"PC(20:2(11Z,14Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,48.63794,3.465934843
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))",[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,48.63799,1.130926516
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))",[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,48.640663,1.130926516
TG(18:0/a-15:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,48.641724,4.802636802
DG(i-24:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,48.641796,5.90515621
DG(i-20:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)C,48.64309,5.90515621
DG(i-24:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,48.64944,5.90515621
DG(a-15:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC,48.65565,5.90515621
TG(8:0/20:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,48.656715,8.854842186
"PC(18:2(9Z,12Z)/20:2(11Z,14Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,48.657185,4.103897139
"PC(18:2(9Z,12Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,48.65933,3.465934843
TG(10:0/22:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,48.665257,8.395817876
DG(i-19:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,48.66788,5.90515621
DG(i-18:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,48.668602,5.90515621
TG(8:0/18:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,48.67994,8.854842186
TG(10:0/18:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,48.680733,7.431530952
DG(a-21:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,48.686897,5.90515621
TG(10:0/13:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,48.69209,7.431530952
TG(15:0/a-13:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,48.694607,4.802636802
DG(i-20:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.69976,5.90515621
TG(8:0/i-12:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.69981,4.132118076
TG(8:0/i-12:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.706352,5.722453445
TG(8:0/21:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,48.707493,7.431530952
TG(8:0/21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,48.715416,4.802636802
TG(8:0/8:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,48.72739,5.577648804
DG(i-19:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,48.731956,5.90515621
DG(i-18:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C,48.73866,5.90515621
TG(14:0/a-15:0/22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,48.74012,4.802636802
"PC(20:2(11Z,14Z)/13:0)",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,48.74243,5.609514192
TG(8:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,48.743195,5.722453445
TG(18:0/a-13:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,48.743713,4.802636802
"PC(18:2(9Z,12Z)/13:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC,48.74457,5.609514192
DG(a-21:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,48.747005,5.90515621
"PC(18:2(9Z,12Z)/17:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC,48.752804,5.609514192
"PC(18:2(9Z,12Z)/22:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,48.75356,4.737499729
DG(i-19:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC(C)C,48.753967,5.90515621
"PC(20:2(11Z,14Z)/20:0)",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,48.76071,4.737499729
TG(8:0/i-12:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,48.766415,5.722453445
TG(10:0/21:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,48.768566,7.431530952
"PC(22:2(13Z,16Z)/18:0)",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,48.77537,4.737499729
TG(13:0/a-15:0/14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,48.775818,5.722453445
"PC(18:2(9Z,12Z)/14:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,48.777283,5.609514192
"PC(20:2(11Z,14Z)/12:0)",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC,48.778645,5.609514192
TG(8:0/19:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,48.782867,7.431530952
TG(13:0/a-15:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,48.783318,4.802636802
"PC(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,48.788143,4.103897139
TG(12:0/a-17:0/13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,48.798103,5.722453445
TG(12:0/19:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,48.817997,7.431530952
TG(13:0/a-15:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,48.81954,4.802636802
TG(8:0/16:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,48.83019,8.854842186
TG(17:0/10:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,48.832493,7.431530952
DG(a-13:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CC,48.84493,4.503183812
"PC(22:2(13Z,16Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,48.85194,3.465934843
TG(8:0/13:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,48.869408,8.854842186
TG(10:0/17:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,48.88661,7.431530952
TG(10:0/a-13:0/19:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,48.902077,5.722453445
DG(i-21:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C,48.90686,5.579292774
"PC(20:2(11Z,14Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,48.924812,3.465934843
TG(10:0/a-21:0/13:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,48.945183,4.802636802
TG(10:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,48.946613,4.802636802
DG(i-24:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,48.9483,5.90515621
"CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))",[H][C@@](O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,48.95097,1.130926516
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TG(10:0/a-25:0/12:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,50.55305,4.802636802
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DG(a-21:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,50.573856,5.90515621
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DG(a-25:0/0:0/18:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,50.582443,5.90515621
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TG(8:0/a-21:0/14:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,50.590836,4.802636802
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TG(8:0/17:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,50.60193,8.854842186
TG(16:0/a-13:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,50.616383,4.802636802
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TG(17:0/a-17:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,50.63552,4.81902808
TG(17:0/a-17:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,50.64955,4.802636802
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TG(8:0/21:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,50.665073,7.431530952
TG(8:0/a-17:0/18:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,50.672703,4.802636802
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TG(17:0/a-15:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,50.674408,4.802636802
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DG(a-21:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC,50.689095,5.90515621
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TG(8:0/18:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,50.69955,8.854842186
TG(8:0/16:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,50.700066,8.854842186
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TG(13:0/13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,50.720085,8.854842186
TG(17:0/a-15:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,50.722054,4.802636802
TG(8:0/a-17:0/16:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,50.725777,5.722453445
TG(20:0/10:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,50.738384,8.395817876
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TG(16:0/a-13:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,50.753395,4.802636802
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TG(8:0/22:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,50.759327,7.431530952
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PC(24:1(15Z)/14:0),CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.77994,5.609514192
PC(24:1(15Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.785133,6.164620072
PC(24:1(15Z)/15:0),CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.78554,4.946890473
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TG(10:0/15:0/17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,50.789406,8.854842186
PC(24:1(15Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.79525,4.737499729
PC(24:1(15Z)/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.795578,5.346606299
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"PC(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,50.802834,5.655635521
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PC(20:1(11Z)/14:0),CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.812366,5.609514192
PC(20:1(11Z)/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.812534,5.609514192
PC(20:1(11Z)/15:0),CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.81613,5.609514192
PC(24:1(15Z)/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.81866,5.62633276
PC(P-16:0/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.81869,5.037521943
PC(22:1(13Z)/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.823025,5.609514192
PC(20:1(11Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.824512,5.346606299
PC(P-18:0/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.828045,5.037521943
PC(22:1(13Z)/15:0),CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.828117,5.609514192
PC(22:1(13Z)/14:0),CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.82835,5.609514192
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PC(20:1(11Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.84151,5.609514192
PC(22:1(13Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.84535,5.62633276
TG(10:0/a-21:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,50.84797,4.802636802
TG(8:0/a-13:0/12:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,50.852253,5.577648804
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PC(22:1(13Z)/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.85969,4.737499729
TG(8:0/a-13:0/14:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,50.861294,5.722453445
TG(8:0/20:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,50.864655,7.431530952
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PC(20:1(11Z)/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.870167,4.737499729
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TG(10:0/a-21:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,50.88233,4.802636802
TG(10:0/a-21:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,50.884464,4.802636802
PC(22:1(13Z)/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.887547,5.346606299
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TG(16:0/8:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,50.913223,8.854842186
TG(18:0/10:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,50.913986,7.431530952
PC(18:1(9Z)/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.918995,5.609514192
PC(18:1(9Z)/14:0),CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.919464,5.609514192
PC(18:1(9Z)/15:0),CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.92688,5.609514192
TG(8:0/a-17:0/10:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,50.938858,5.722453445
PC(18:1(9Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.939533,4.737499729
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TG(8:0/18:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,50.948586,7.431530952
PC(18:1(9Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.950043,5.609514192
TG(8:0/17:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,50.95021,7.431530952
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PC(18:1(9Z)/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,50.952118,5.609514192
TG(10:0/15:0/22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,50.955162,7.431530952
TG(10:0/a-21:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,50.95587,4.802636802
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TG(13:0/13:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,50.9798,8.854842186
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TG(8:0/a-21:0/12:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,50.990337,5.722453445
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DG(a-25:0/0:0/16:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,51.001644,5.90515621
PC(18:1(11Z)/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.002995,5.609514192
TG(8:0/a-15:0/10:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,51.004917,5.577648804
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PC(18:1(11Z)/14:0),CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.01015,5.609514192
TG(8:0/a-13:0/15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.013527,5.722453445
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PC(18:1(11Z)/15:0),CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.01463,5.609514192
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PC(18:1(11Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.022728,4.737499729
PC(18:1(11Z)/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.028797,5.609514192
TG(16:0/a-17:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,51.032005,4.81902808
PC(18:1(11Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.03312,5.609514192
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TG(8:0/a-15:0/18:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,51.04723,5.722453445
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TG(15:0/10:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,51.061157,7.431530952
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TG(8:0/a-13:0/20:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.079544,5.722453445
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TG(13:0/13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.11296,7.431530952
TG(10:0/21:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,51.120937,7.431530952
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PC(16:1(9Z)/15:0),CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.12436,5.609514192
PC(16:1(9Z)/14:0),CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.12475,5.614798144
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TG(13:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.13933,7.431530952
PC(16:1(9Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.140457,5.609514192
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TG(10:0/18:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,51.14937,8.854842186
TG(10:0/17:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,51.149765,8.854842186
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TG(8:0/16:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,51.172806,7.431530952
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PC(16:1(9Z)/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.183846,5.609514192
TG(13:0/22:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,51.185146,8.650314063
DG(a-25:0/0:0/20:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,51.18702,4.955971614
PC(14:1(9Z)/16:0),CCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.19174,5.614798144
PC(14:1(9Z)/18:0),CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.193096,5.609514192
TG(8:0/19:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,51.193596,7.431530952
PC(14:1(9Z)/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.193684,5.609514192
DG(a-25:0/0:0/15:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,51.19562,5.90515621
TG(8:0/a-15:0/16:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,51.19958,5.722453445
TG(10:0/15:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,51.207718,7.431530952
PC(14:1(9Z)/20:0),CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.20774,5.609514192
PC(14:1(9Z)/15:0),CCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.209217,5.614798144
PC(14:1(9Z)/24:0),CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.211224,5.609514192
TG(19:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.211277,8.424472064
PC(14:1(9Z)/14:0),CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.21327,5.614798144
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.217007,5.159820244
"PC(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.21728,6.696648151
"PC(20:4(8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.218098,3.836326674
"PC(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.236736,3.836326674
"PC(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.23723,3.836326674
TG(10:0/22:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,51.2416,7.431530952
TG(16:0/a-17:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,51.261845,4.802636802
"PC(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.263496,5.159820244
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(8Z,11Z,14Z,17Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.264717,5.159820244
TG(13:0/13:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.26703,8.854842186
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.268467,5.159820244
TG(13:0/13:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.271156,7.431530952
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.27628,5.159820244
TG(21:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.279087,8.841566741
TG(18:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.282696,8.395817876
TG(17:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.290863,8.395817876
"PC(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.295895,5.655635521
TG(16:0/a-15:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,51.297234,4.802636802
"PC(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.301445,5.655635521
DG(a-25:0/0:0/17:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,51.30715,5.90515621
TG(20:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.31064,8.424472064
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.310665,6.696648151
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.32186,5.655635521
"PC(22:4(7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.334587,5.655635521
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.342987,5.655635521
TG(15:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.34496,7.431530952
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.34962,5.159820244
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.35113,5.159820244
"PC(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.35132,3.465934843
TG(16:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.35726,7.431530952
TG(13:0/21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,51.359447,8.841566741
"PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.369564,3.647267446
"PC(18:1(9Z)/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,51.37543,4.619547352
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.381233,5.159820244
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.384544,5.159820244
TG(13:0/18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,51.39163,8.395817876
TG(10:0/20:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,51.39353,7.431530952
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.3975,5.655635521
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.40085,5.655635521
TG(16:0/a-15:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,51.40212,4.802636802
DG(a-25:0/0:0/8:0),[H][C@](O)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,51.402454,5.438110232
"PC(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.413452,5.655635521
TG(13:0/17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,51.41568,8.395817876
TG(8:0/20:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,51.41626,7.431530952
TG(12:0/13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.41959,8.854842186
TG(13:0/16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,51.424026,7.431530952
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.430454,5.159820244
TG(13:0/20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,51.430626,8.424472064
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.431046,5.159820244
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.447876,6.696648151
TG(13:0/13:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,51.453415,8.854842186
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.45878,5.655635521
TG(13:0/15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,51.459915,7.431530952
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.46481,5.655635521
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.471794,5.655635521
TG(13:0/12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,51.47541,7.431530952
TG(13:0/12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,51.477768,7.431530952
TG(8:0/a-13:0/18:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.4852,5.722453445
DG(a-25:0/0:0/13:0),[H][C@](O)(COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,51.486195,5.90515621
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.491684,5.655635521
TG(13:0/19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,51.496647,8.424472064
TG(8:0/19:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,51.516552,7.431530952
"PC(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.5193,5.655635521
TG(8:0/15:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,51.523804,8.854842186
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.541187,5.655635521
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.55384,5.655635521
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.558777,5.655635521
TG(8:0/a-21:0/10:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,51.560417,5.722453445
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.564945,5.655635521
TG(8:0/a-13:0/16:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.567307,5.722453445
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.57298,5.655635521
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.575348,5.159820244
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.580585,5.159820244
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.59691,5.655635521
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.622826,5.655635521
TG(8:0/19:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,51.628853,8.854842186
TG(13:0/22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,51.64082,8.841566741
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.644135,5.655635521
"PC(18:2(9Z,12Z)/20:1(13Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCC,51.650246,4.619547352
DG(a-25:0/0:0/19:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,51.654922,4.955971614
Cer(d18:0/24:1(15Z)),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,51.66257,5.965895951
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.66881,5.655635521
Cer(d17:0/24:1(15Z)),CCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,51.678635,6.751224399
Cer(d18:0/22:1(13Z)),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,51.698376,6.751224399
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.710094,5.159820244
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.710102,5.655635521
TG(13:0/21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,51.7125,8.424472064
Cer(d18:0/26:1(17Z)),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC,51.71897,5.965895951
Cer(d18:0/20:1(11Z)),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCC,51.72134,6.751224399
TG(14:0/a-13:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.727577,4.802636802
"PC(22:4(7Z,10Z,13Z,16Z)/22:1(13Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.735992,3.465934843
TG(15:0/a-13:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.741367,4.802636802
"PC(22:4(7Z,10Z,13Z,16Z)/18:1(9Z))",CCCCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,51.744293,3.465934843
TG(12:0/a-13:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.74431,5.722453445
TG(19:0/8:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,51.748657,7.431530952
Cer(d18:0/18:1(11Z)),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCC,51.753216,6.427527964
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(6Z,9Z,12Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.75778,5.159820244
TG(10:0/22:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,51.757877,8.395817876
Cer(d18:0/18:1(9Z)),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC,51.760723,6.427527964
Cer(d18:0/16:1(11Z)),CCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCC,51.777996,7.605812699
DG(a-25:0/0:0/22:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,51.78607,4.620983452
TG(17:0/8:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,51.802536,7.431530952
TG(13:0/22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,51.80831,8.424472064
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.811977,5.159820244
TG(21:0/21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,51.832973,6.375283003
"PE(18:3(6Z,9Z,12Z)/24:0)",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,51.84026,3.752648458
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.859226,5.159820244
TG(14:0/a-21:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,51.86698,4.802636802
TG(15:0/a-13:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.888077,4.802636802
TG(16:0/8:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,51.89588,7.431530952
TG(21:0/22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,51.919266,5.969008431
TG(13:0/19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,51.920464,8.395817876
TG(10:0/20:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,51.926514,7.431530952
TG(14:0/a-17:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,51.92732,4.802636802
TG(12:0/a-15:0/17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,51.936283,4.802636802
TG(13:0/21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,51.946697,8.395817876
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:1(13Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,51.948246,3.836326674
TG(15:0/a-17:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,51.973564,4.802636802
TG(18:0/a-13:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,51.99892,4.802636802
TG(10:0/18:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,52.001568,7.431530952
TG(21:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,52.02434,4.802636802
TG(18:0/10:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,52.041836,7.431530952
TG(21:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,52.046177,4.81902808
"PE(18:3(6Z,9Z,12Z)/22:0)",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,52.046192,3.752648458
TG(21:0/21:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,52.049458,5.969008431
TG(13:0/18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,52.054676,8.395817876
TG(21:0/22:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,52.05505,5.969008431
TG(15:0/a-13:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,52.059982,4.802636802
TG(20:0/10:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,52.06043,7.431530952
TG(17:0/10:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,52.06841,7.431530952
TG(21:0/18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,52.069923,4.841376841
TG(10:0/21:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,52.071426,7.431530952
TG(13:0/20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,52.082104,8.424472064
TG(19:0/13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,52.08307,8.395817876
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,52.08495,4.037037492
TG(21:0/19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,52.086987,5.969008431
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",CCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,52.08702,6.696648151
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",CCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,52.08918,5.655635521
"LysoPE(20:3(5Z,8Z,11Z)/0:0)",[H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP(O)(=O)OCCN,52.090168,1.371632144
TG(14:0/13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,52.092033,7.431530952
TG(13:0/17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,52.10599,7.431530952
DG(a-25:0/0:0/21:0),[H][C@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,52.108543,4.620983452
TG(15:0/a-15:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,52.11012,4.802636802
"LysoPE(18:3(6Z,9Z,12Z)/0:0)",[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,52.11598,1.126475818
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:1(11Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,52.117657,3.836326674
"Cer(d20:0/22:2(6Z,13Z))",CCCCCCCCCCCCCCCCCC(O)[C@H](CO)NC(=O)CCCC\C=C/CCCCC\C=C/CCCCCCCC,52.11771,5.887402594
TG(8:0/20:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,52.119705,7.431530952
TG(13:0/19:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,52.120903,7.431530952
TG(15:0/10:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,52.128094,7.431530952
"PE(18:3(6Z,9Z,12Z)/16:0)",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,52.13131,4.246633127
TG(21:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,52.13615,5.057617277
"LysoPE(20:3(8Z,11Z,14Z)/0:0)",[H][C@@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP(O)(=O)OCCN,52.140827,1.371632144
"PE(18:3(6Z,9Z,12Z)/18:0)",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,52.142982,3.752648458
"LysoPE(18:3(9Z,12Z,15Z)/0:0)",[H][C@@](O)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,52.164684,1.126475818
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",CCCCCC\C=C/CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,52.183113,6.696648151
TG(16:0/10:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,52.184124,7.431530952
"PE(20:3(8Z,11Z,14Z)/24:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,52.19946,3.752648458
TG(21:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,52.203423,6.375283003
TG(10:0/17:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,52.215794,7.431530952
TG(20:0/13:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,52.220512,8.424472064
TG(13:0/22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,52.242786,8.424472064
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TG(8:0/17:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,52.53264,8.854842186
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TG(13:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,52.991024,5.722453445
"PE(16:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.0007,3.837502375
TG(12:0/22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,53.004784,8.395817876
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TG(10:0/a-21:0/14:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,53.010666,4.802636802
TG(13:0/17:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,53.011276,7.431530952
"PE(18:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.017456,3.837502375
TG(17:0/13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,53.03921,7.431530952
TG(16:0/13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,53.039852,7.431530952
"PE(18:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.04828,3.837502375
TG(10:0/a-17:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,53.04954,4.802636802
TG(10:0/a-15:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,53.06312,4.802636802
TG(10:0/a-17:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,53.068813,4.802636802
TG(13:0/20:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,53.077515,7.431530952
"PE(22:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.084858,3.837502375
"PE(15:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.091618,4.020749032
"PE(20:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.096245,3.837502375
TG(13:0/16:0/14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,53.111446,8.854842186
"PE(18:3(9Z,12Z,15Z)/18:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,53.113945,3.752648458
"PE(22:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.116985,3.837502375
TG(10:0/15:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,53.11956,8.854842186
"PE(18:3(9Z,12Z,15Z)/16:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,53.119583,4.246633127
"PE(15:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.119865,3.837502375
TG(6:0/14:0/16:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,53.12274,8.854842186
TG(13:0/20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,53.12632,7.431530952
"PE(20:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,53.12666,3.837502375
TG(18:0/13:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,53.129078,7.431530952
TG(10:0/a-13:0/14:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,53.129704,5.722453445
TG(6:0/12:0/16:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,53.135235,8.854842186
TG(10:0/a-15:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,53.13604,4.802636802
TG(8:0/20:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,53.138794,7.431530952
TG(13:0/15:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,53.13931,7.431530952
"PE(20:3(8Z,11Z,14Z)/14:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,53.140472,4.246633127
"PC(o-18:2(9Z,12Z)/18:2(9Z,12Z))",CCCCC\C=C/C\C=C/CCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,53.153915,4.880240932
TG(17:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,53.154568,4.802636802
TG(13:0/18:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,53.156242,7.431530952
TG(21:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,53.160194,4.802636802
"PE(20:3(5Z,8Z,11Z)/15:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,53.19472,3.752648458
TG(21:0/16:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,53.196102,5.057617277
TG(17:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,53.213776,4.802636802
TG(17:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,53.21703,4.802636802
TG(10:0/a-13:0/12:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,53.219925,5.722453445
TG(15:0/10:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,53.222763,8.854842186
TG(13:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,53.225445,4.802636802
TG(8:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,53.231064,5.722453445
TG(13:0/20:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,53.233414,7.431530952
TG(6:0/10:0/14:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC,53.248386,6.393980235
TG(13:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,53.249573,4.802636802
TG(13:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,53.25678,4.802636802
"PE(20:3(5Z,8Z,11Z)/20:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,53.258347,3.752648458
TG(13:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,53.258423,4.802636802
TG(6:0/14:0/14:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,53.26034,8.854842186
TG(15:0/13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,53.263786,7.431530952
TG(16:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,53.273277,4.802636802
TG(13:0/21:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,53.27547,8.395817876
TG(13:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,53.275764,5.722453445
TG(6:0/12:0/14:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,53.279186,8.630773425
TG(6:0/8:0/14:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC,53.28053,5.478649959
"PC(o-22:2(13Z,16Z)/22:2(13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,53.282196,4.046543688
TG(10:0/a-21:0/12:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,53.288147,4.802636802
TG(19:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,53.316536,4.802636802
TG(13:0/17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,53.31663,7.431530952
TG(13:0/17:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,53.32293,7.431530952
TG(8:0/20:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,53.344856,7.431530952
TG(13:0/15:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,53.346973,8.854842186
TG(20:0/8:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,53.35261,7.431530952
TG(13:0/19:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,53.354225,7.431530952
"PE(18:3(9Z,12Z,15Z)/15:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,53.354404,3.931843117
TG(20:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,53.365303,4.802636802
TG(13:0/19:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,53.368195,7.431530952
TG(13:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,53.369938,5.722453445
TG(8:0/21:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,53.384537,7.431530952
TG(8:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,53.38554,5.722453445
TG(13:0/18:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,53.39442,7.431530952
"PE(18:3(9Z,12Z,15Z)/20:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,53.396072,3.752648458
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TG(8:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,53.4149,5.722453445
TG(13:0/16:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,53.42562,7.431530952
Cervonyl carnitine,CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,53.428497,6.806251407
TG(13:0/14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,53.43374,7.431530952
TG(17:0/10:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,53.43588,7.431530952
TG(13:0/20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,53.446735,8.395817876
"PC(17:0/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,53.448887,4.619547352
"Docosa-4,7,10,13,16-pentaenoyl carnitine",CCCCC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,53.456596,6.806251407
TG(12:0/19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,53.474228,8.395817876
TG(13:0/18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,53.482388,7.431530952
TG(8:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,53.490166,5.101852491
TG(14:0/13:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,53.49735,7.431530952
"PC(17:0/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,53.501385,4.619547352
TG(13:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,53.504925,5.722453445
TG(15:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,53.51153,4.802636802
Stearidonyl carnitine,CC\C=C/C\C=C/CC\C=C/CC\C=C/CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,53.51328,10.76604873
TG(19:0/22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,53.51889,6.375283003
Clupanodonyl carnitine,CC\C=C\CC\C=C\C\C=C\CC\C=C\CC\C=C\CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,53.53606,6.806251407
TG(8:0/22:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,53.54208,7.431530952
TG(17:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,53.54492,4.802636802
TG(16:0/10:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,53.550243,7.431530952
TG(17:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,53.55304,4.802636802
TG(21:0/20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,53.561733,6.375283003
TG(15:0/8:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,53.562767,8.854842186
"PC(20:0/20:3(11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC,53.565258,3.901425749
TG(15:0/8:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,53.56741,7.431530952
"PE(18:3(9Z,12Z,15Z)/14:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,53.569035,3.931843117
TG(13:0/16:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,53.570587,7.431530952
TG(21:0/19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,53.573612,6.375283003
TG(10:0/15:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,53.581635,8.854842186
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TG(8:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,54.16879,5.722453445
TG(14:0/a-17:0/16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,54.16997,4.802636802
TG(13:0/16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,54.170692,7.431530952
TG(8:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,54.174667,5.722453445
TG(12:0/a-13:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,54.181534,5.722453445
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TG(18:1(11Z)/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,54.184307,7.802833617
PE(14:1(9Z)/20:1(11Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,54.187664,3.740670905
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TG(18:1(11Z)/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,54.18934,7.53634572
TG(8:0/20:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,54.195034,8.854842186
TG(12:0/20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,54.19631,7.431530952
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TG(15:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,54.20124,4.802636802
TG(18:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,54.201656,4.802636802
TG(15:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,54.202843,4.802636802
TG(18:1(11Z)/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,54.204216,7.414897531
TG(19:0/8:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,54.20458,7.431530952
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TG(14:0/a-17:0/20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,54.217464,4.802636802
TG(18:1(11Z)/15:0/o-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,54.217518,7.414897531
TG(10:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,54.218483,5.101852491
TG(10:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,54.227787,5.577648804
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TG(18:1(11Z)/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.23066,7.640308142
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,54.23241,4.542465508
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TG(10:0/a-17:0/12:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,54.234917,5.722453445
TG(13:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,54.235313,4.802636802
"PC(18:0/20:3(8Z,11Z,14Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,54.239254,4.619547352
TG(18:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,54.240025,4.802636802
PE(14:1(9Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,54.242218,3.740670905
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PE(16:1(9Z)/16:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,54.246624,3.919293731
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TG(18:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.250393,4.802636802
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TG(14:0/a-17:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,54.25556,4.802636802
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DG(18:1(11E)/16:0/0:0),[H][C@@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,54.258778,7.84521997
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PE(16:1(9Z)/14:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,54.26128,4.512322322
TG(15:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.263107,4.802636802
"PC(15:0/18:3(6Z,9Z,12Z))",CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,54.26313,4.619547352
TG(15:0/10:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,54.265194,8.854842186
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TG(18:1(11Z)/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,54.299904,7.414897531
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TG(14:0/a-17:0/18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,54.312267,4.802636802
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TG(15:0/13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,54.314236,7.431530952
TG(8:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,54.314342,5.722453445
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TG(16:0/12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,54.324776,7.431530952
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TG(20:1(11Z)/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,54.33548,7.414897531
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PE(16:1(9Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,54.336845,3.740670905
TG(20:1(11Z)/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,54.33846,7.640308142
TG(24:1(15Z)/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,54.338547,7.53634572
TG(20:1(11Z)/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,54.341003,7.53634572
TG(24:1(15Z)/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,54.34603,7.313644141
TG(20:1(11Z)/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,54.34923,7.414897531
TG(20:1(11Z)/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.34928,7.313644141
TG(24:1(15Z)/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,54.35116,7.53634572
TG(24:1(15Z)/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,54.35855,7.640308142
TG(22:1(13Z)/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,54.359493,7.802833617
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TG(20:1(11Z)/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,54.360126,7.802833617
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TG(24:1(15Z)/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.374855,7.52184093
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PE(18:1(11Z)/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,54.53545,3.919293731
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TG(16:1(9Z)/15:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,54.54488,7.414897531
TG(15:0/13:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,54.553413,7.431530952
PE(18:1(11Z)/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,54.559135,3.740670905
TG(14:1(9Z)/14:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,54.562767,7.414897531
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TG(10:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,54.566032,5.722453445
TG(8:0/15:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,54.56656,8.854842186
TG(21:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,54.573288,4.841376841
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PE(16:1(9Z)/20:1(11Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,54.57612,3.740670905
TG(12:0/19:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,54.577106,7.431530952
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PE(16:1(9Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,54.58821,3.740670905
TG(18:0/13:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,54.58991,7.431530952
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TG(16:1(9Z)/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.595604,7.53634572
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TG(12:0/19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,54.61073,7.431530952
PE(16:1(9Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,54.612324,3.740670905
PE(18:1(11Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,54.618664,3.740670905
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PE(18:1(9Z)/16:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,54.64192,3.740670905
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TG(14:1(9Z)/20:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,54.659145,7.414897531
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TG(22:0/17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,54.695724,4.841376841
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TG(22:0/19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,54.704594,4.841376841
"PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,54.70597,3.837502375
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TG(20:0/8:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,54.7179,7.431530952
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TG(12:0/16:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,54.723057,7.431530952
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TG(14:0/a-15:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,54.736427,4.802636802
TG(14:1(9Z)/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,54.736797,7.414897531
"PE(16:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,54.739395,3.837502375
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TG(14:1(9Z)/15:0/o-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,54.75214,7.414897531
TG(14:1(9Z)/16:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,54.753105,7.414897531
"PE(15:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,54.75343,3.837502375
TG(12:0/21:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,54.753597,7.431530952
TG(21:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,54.75568,5.057617277
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,54.75652,5.655635521
"PE(22:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,54.756912,3.837502375
"LysoPE(18:4(6Z,9Z,12Z,15Z)/0:0)",[H][C@@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,54.774204,1.14940526
"PE(18:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,54.77884,3.837502375
PC(P-16:0/22:1(13Z)),CCCCCCCCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,54.77967,5.712285638
TG(12:0/a-17:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,54.780354,4.802636802
"PE(20:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,54.782047,3.837502375
PE(18:1(9Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,54.784122,3.740670905
"LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)",[H][C@@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN,54.78751,1.375509892
TG(22:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,54.78781,4.802636802
"PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,54.790176,4.342656583
TG(16:1(9Z)/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,54.79883,7.640308142
PE(18:1(11Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,54.804367,3.740670905
"PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,54.809265,3.837502375
TG(21:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,54.810036,4.81902808
TG(21:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,54.810352,5.969008431
TG(12:0/a-15:0/15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,54.810974,5.722453445
DG(14:1(9Z)/20:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,54.81349,7.84521997
TG(21:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.813515,5.057617277
TG(12:0/22:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.81993,7.431530952
PE(18:1(11Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,54.826973,3.740670905
TG(14:1(9Z)/22:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.832638,7.802833617
PE(18:1(9Z)/18:1(11Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,54.84712,3.740670905
TG(13:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,54.855576,5.722453445
PE(20:1(11Z)/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,54.856052,3.740670905
DG(14:1(9Z)/18:0/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,54.856285,7.96405822
TG(19:0/19:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,54.876762,4.841376841
TG(8:0/19:0/i-21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,54.879406,4.802636802
PE(22:1(13Z)/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,54.879482,3.740670905
TG(13:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,54.892548,5.722453445
PE(20:1(11Z)/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,54.89802,3.740670905
TG(22:0/18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,54.91224,4.841376841
"PC(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,54.91423,6.696648151
TG(17:0/19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,54.918545,4.841376841
PE(20:1(11Z)/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,54.922394,3.740670905
"PC(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,54.924866,5.159820244
TG(19:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,54.929962,4.802636802
TG(8:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,54.931984,5.722453445
TG(17:0/22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.93583,4.841376841
"PA(P-16:0e/18:2(9Z,12Z))",CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP(=O)(O)O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,54.942482,6.66083619
PE(18:1(9Z)/20:1(11Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,54.949234,3.740670905
PE(22:1(13Z)/14:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,54.95238,3.740670905
PE(20:1(11Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,54.953346,3.740670905
TG(8:0/21:0/i-21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,54.961178,4.802636802
"PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,54.96145,5.655635521
TG(21:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,54.969322,4.81902808
TG(22:0/20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,54.973106,6.375283003
"PE(20:3(5Z,8Z,11Z)/P-18:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,54.9743,4.346292466
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TG(14:1(9Z)/24:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,54.97984,7.53634572
TG(16:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,54.982563,4.802636802
"PE(18:3(9Z,12Z,15Z)/P-18:0)",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCCCC,54.982693,4.346292466
PE(22:1(13Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,54.98638,3.740670905
PE(22:1(13Z)/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC,54.989674,3.740670905
TG(22:0/22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,54.99109,6.375283003
PE(18:1(9Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,54.992996,3.740670905
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PE(20:1(11Z)/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,55.002743,3.740670905
TG(19:0/12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,55.00952,8.395817876
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TG(13:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,55.034714,4.802636802
PE(18:1(9Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,55.03624,3.740670905
TG(20:0/22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,55.05839,6.375283003
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TG(12:0/17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,55.06056,7.431530952
TG(16:0/22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,55.06207,4.841376841
TG(12:0/21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,55.06351,8.424472064
PE(20:1(11Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,55.066128,3.740670905
PE-NMe2(18:1(9Z)/18:1(9Z)),[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,55.06705,8.589105308
PE(22:1(13Z)/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,55.069157,3.740670905
TG(19:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,55.070393,5.722453445
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PE(24:1(15Z)/16:1(9Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,55.071636,3.740670905
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TG(8:0/15:0/i-15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,55.405254,5.722453445
TG(17:0/8:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,55.412865,8.854842186
"PC(22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,55.421898,5.655635521
TG(20:0/22:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,55.4252,5.969008431
TG(16:0/8:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,55.432446,8.854842186
"PC(20:4(8Z,11Z,14Z,17Z)/14:0)",CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,55.435257,4.103897139
"PC(20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,55.437916,5.655635521
"PC(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,55.455017,5.655635521
TG(19:0/18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,55.4551,5.057617277
TG(16:0/21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,55.45642,5.057617277
TG(20:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,55.458626,6.375283003
"PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.46034,5.159820244
TG(21:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,55.461308,4.802636802
TG(18:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,55.462677,4.802636802
TG(16:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,55.46637,5.057617277
"PC(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.46838,5.159820244
"PC(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,55.46927,5.159820244
TG(22:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,55.469685,5.969008431
TG(17:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,55.47458,5.722453445
TG(22:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,55.47801,4.802636802
TG(16:0/8:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,55.484043,7.431530952
TG(22:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,55.49497,6.375283003
TG(17:0/21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,55.508217,4.841376841
TG(15:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,55.525368,4.802636802
"PC(18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.531464,5.159820244
Cer(d18:1/18:1(11Z)),CCCCCCCCCCCCC\C=C\C(O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCC,55.533226,6.342960894
TG(21:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,55.533997,4.802636802
"PE(P-18:0/18:3(6Z,9Z,12Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,55.537994,4.346292466
TG(17:0/8:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,55.541653,7.431530952
TG(22:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,55.54173,6.375283003
TG(16:0/19:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,55.559776,5.057617277
Sphingosine,CCCCCCCCCCCCC\C=C\C(O)C(N)CO,55.565544,7.67326057
PC(14:1(9Z)/P-18:0),CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.56749,6.075387076
Cer(d18:1/22:1(13Z)),CCCCCCCCCCCCC\C=C\C(O)[C@H](CO)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,55.567726,6.662398577
DG(17:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,55.570488,5.90515621
TG(15:0/8:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,55.571404,8.854842186
TG(17:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,55.574688,5.722453445
DG(13:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,55.57843,5.90515621
PC(14:1(9Z)/P-16:0),CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.587517,6.075387076
DG(17:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,55.60489,5.90515621
"PE(P-18:0/20:3(8Z,11Z,14Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,55.605373,4.346292466
TG(12:0/16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,55.60857,7.431530952
TG(15:0/8:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC,55.61468,8.854842186
TG(20:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,55.617058,4.802636802
PC(16:1(9Z)/P-18:0),CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.62674,6.075387076
PC(18:1(11Z)/P-18:0),CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.651886,6.075387076
PC(16:1(9Z)/P-16:0),CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.655834,6.075387076
DG(21:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,55.65634,5.90515621
TG(21:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,55.66166,4.802636802
"PE(P-16:0/18:3(6Z,9Z,12Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,55.663868,4.553834349
"PE(P-18:0/20:3(5Z,8Z,11Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,55.67377,4.346292466
TG(18:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,55.674355,4.802636802
PC(24:1(15Z)/P-18:0),CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.679813,5.037521943
TG(20:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,55.679935,4.802636802
PC(18:1(11Z)/P-16:0),CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.6833,6.075387076
PC(18:1(9Z)/P-18:0),CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.689445,6.075387076
TG(16:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,55.69209,4.802636802
TG(16:0/18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,55.697193,4.81902808
PC(20:1(11Z)/P-18:0),CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.70113,5.712285638
PC(22:1(13Z)/P-18:0),CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.70449,5.037521943
DG(8:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,55.704784,5.438110232
"PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.70565,4.061029479
TG(8:0/15:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,55.72424,8.854842186
"PE(P-16:0/20:3(8Z,11Z,14Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,55.725975,4.346292466
"PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.72647,4.061029479
PC(24:1(15Z)/P-16:0),CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.726643,5.037521943
"PE(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.730442,4.061029479
"PE(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.73242,4.061029479
TG(17:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,55.744324,4.802636802
PC(18:1(9Z)/P-16:0),CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.74738,6.075387076
"PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.7476,4.061029479
"PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.748905,4.061029479
"PE(P-16:0/20:3(5Z,8Z,11Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,55.752216,4.346292466
"PE(P-18:0/18:3(9Z,12Z,15Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,55.756073,4.346292466
"PE(P-16:0/18:3(9Z,12Z,15Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,55.757717,4.553834349
PC(22:1(13Z)/P-16:0),CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.759396,5.712285638
TG(15:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,55.759808,4.802636802
PC(20:1(11Z)/P-16:0),CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,55.762486,6.075387076
"PC(P-18:1(11Z)/18:2(9Z,12Z))",CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,55.765007,4.904720932
"PC(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,55.76846,5.655635521
TG(17:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,55.768734,4.802636802
DG(21:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,55.768833,5.579292774
"PC(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,55.76976,5.159820244
DG(19:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,55.773182,5.663807318
TG(16:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,55.782845,4.802636802
TG(17:0/18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,55.785286,5.057617277
TG(20:0/21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,55.789604,6.375283003
DG(22:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,55.793343,5.90515621
TG(22:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,55.796894,4.841376841
"PC(P-18:1(11Z)/20:2(11Z,14Z))",CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,55.80543,4.611585662
"PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCCOC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C\C=C/C\C=C/CCCCC,55.81439,4.046543688
DG(19:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,55.826656,5.90515621
"PC(20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,55.82831,6.696648151
TG(22:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,55.82946,5.057617277
TG(22:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,55.849674,5.057617277
DG(13:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,55.854374,5.90515621
DG(20:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,55.856457,4.955971614
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DG(14:1(9Z)/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.299603,7.84521997
DG(14:1(9Z)/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,56.29994,5.588813126
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TG(12:0/21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,56.378742,8.424472064
TG(8:0/12:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,56.38128,8.630773425
"PC(20:2(11Z,14Z)/P-16:0)",CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,56.388397,5.212296918
"PC(18:2(9Z,12Z)/P-16:0)",CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,56.390923,5.212296918
"PC(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.392155,5.159820244
TG(22:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,56.39224,4.81902808
TG(14:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.392467,4.802636802
DG(13:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,56.394043,4.609746113
TG(16:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,56.398483,5.722453445
DG(16:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,56.405117,5.90515621
TG(8:0/10:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC,56.411415,7.894533128
"PC(20:4(8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.41178,6.696648151
"PC(22:2(13Z,16Z)/P-16:0)",CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,56.412083,4.900779203
TG(12:0/12:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,56.42494,8.854842186
TG(12:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,56.431683,5.577648804
DG(19:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,56.43317,5.579292774
"PE(24:0/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.439354,3.837502375
TG(8:0/16:0/i-21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,56.4419,4.802636802
TG(22:0/21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,56.445908,6.375283003
"PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z))",CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.44755,4.611585662
TG(15:0/19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.447666,5.057617277
"PE(24:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.448048,3.837502375
TG(20:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,56.457905,4.802636802
"PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.460854,4.904720932
"PC(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.466717,5.159820244
"PE(24:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.47405,3.837502375
TG(18:0/19:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.47559,5.057617277
TG(12:0/10:0/13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC,56.480434,8.854842186
"PC(20:4(8Z,11Z,14Z,17Z)/16:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,56.486275,4.103897139
TG(13:0/8:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,56.493904,8.854842186
TG(15:0/21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,56.494747,5.057617277
"PC(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.500973,6.696648151
TG(18:0/22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.50445,4.841376841
"PC(20:4(8E,11E,14E,17E)/16:0)",[H][C@@](COC(=O)CCCCCC\C=C\C\C=C\C\C=C\C\C=C\CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,56.5087,4.103897139
TG(12:0/17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,56.509476,7.431530952
TG(12:0/21:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,56.509537,7.431530952
TG(21:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,56.515774,4.841376841
TG(10:0/8:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCC,56.522083,7.894533128
"PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.533905,3.650649264
"PC(P-18:0/18:4(6Z,9Z,12Z,15Z))",CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.535492,4.904720932
DG(16:1(9Z)/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,56.537125,7.84521997
"PC(18:1(11Z)/18:3(6Z,9Z,12Z))",CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,56.55042,4.103897139
TG(18:0/19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.551212,4.841376841
TG(8:0/17:0/i-21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,56.551327,4.802636802
TG(20:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,56.555607,4.802636802
"PC(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,56.560177,5.655635521
TG(10:0/10:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC,56.56216,8.630773425
TG(15:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,56.57478,5.722453445
"PC(P-18:1(9Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,56.57921,4.611585662
"PC(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.584007,4.611585662
TG(21:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,56.58896,4.802636802
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)",CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,56.5906,4.103897139
TG(14:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,56.590763,4.802636802
TG(20:0/14:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,56.596134,8.650314063
TG(14:0/20:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,56.59658,8.650314063
TG(18:0/12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,56.598495,7.431530952
"PC(P-18:1(11Z)/20:3(8Z,11Z,14Z))",CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,56.599224,4.611585662
TG(15:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,56.60082,4.802636802
TG(14:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.608536,4.802636802
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,56.6087,3.465934843
"PC(P-18:1(9Z)/18:3(6Z,9Z,12Z))",CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,56.60927,4.904720932
TG(15:0/18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,56.614162,4.81902808
TG(15:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,56.61594,5.057617277
TG(18:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,56.622387,4.841376841
TG(22:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,56.624676,4.802636802
"PC(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.626488,6.696648151
"PC(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))",CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.628418,4.066842049
DG(22:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,56.639126,5.90515621
"PC(P-18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.64024,3.219416365
"PC(P-18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCCC\C=C/CCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.640587,3.219416365
TG(16:0/14:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,56.64581,8.424472064
DG(21:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,56.646515,5.90515621
"PC(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.648468,5.159820244
"PC(18:1(11Z)/20:3(8Z,11Z,14Z))",CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,56.649033,4.103897139
TG(22:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.65137,5.057617277
"PC(P-18:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.66173,4.611585662
PC(P-18:1(9Z)/20:0),CCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,56.663197,5.712285638
PC(P-18:1(11Z)/22:0),CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,56.664562,5.037521943
TG(15:0/22:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.669086,4.841376841
TG(12:0/17:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,56.669304,7.431530952
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)",CCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,56.677658,3.465934843
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/24:0)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,56.69858,3.465934843
"PC(P-20:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.700146,4.611585662
"PC(P-20:0/20:4(5Z,8Z,11Z,14Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.701134,4.066842049
"PC(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.7045,4.904720932
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TG(10:0/12:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,56.704628,8.854842186
PC(P-18:1(11Z)/16:0),CCCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,56.706844,6.075387076
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PC(P-18:1(9Z)/14:0),CCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,56.715652,6.075387076
TG(12:0/16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,56.717304,7.431530952
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PC(P-18:1(9Z)/15:0),CCCCCCCCCCCCCCC(=O)OC(CO\C=C/CCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,56.72874,6.075387076
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TG(15:0/12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,56.732903,7.431530952
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DG(13:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,56.75107,5.90515621
TG(8:0/20:0/i-21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,56.7515,4.802636802
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TG(14:0/16:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,56.753254,8.424472064
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TG(8:0/14:0/13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,56.773094,8.854842186
TG(22:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,56.776737,4.81902808
TG(8:0/13:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCC,56.779297,7.894533128
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DG(18:0/a-25:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,56.79233,5.90515621
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TG(8:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.805786,4.802636802
TG(22:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.80638,4.81902808
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DG(22:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,56.807922,5.90515621
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TG(12:0/15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,56.813087,7.431530952
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TG(22:0/22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.81637,5.969008431
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TG(19:0/8:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,56.831116,4.802636802
TG(8:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,56.834023,5.722453445
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TG(12:0/16:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,56.84173,7.431530952
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TG(17:0/21:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,56.846405,6.375283003
DG(21:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,56.84945,5.90515621
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TG(19:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.870995,4.81902808
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TG(12:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,56.876465,5.722453445
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TG(17:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.88356,4.802636802
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DG(20:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,56.89857,5.90515621
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"PC(24:0/22:4(7Z,10Z,13Z,16Z))",CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.906685,3.647267446
"PC(14:0/22:4(7Z,10Z,13Z,16Z))",CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.907913,4.103897139
TG(20:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,56.9099,5.722453445
"PC(20:0/22:4(7Z,10Z,13Z,16Z))",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.911697,3.465934843
"PC(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.91465,5.655635521
"PE(20:4(8Z,11Z,14Z,17Z)/16:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,56.91809,3.837502375
TG(15:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,56.91823,5.722453445
"PC(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.924706,5.655635521
"PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.926117,6.696648151
"PC(22:0/22:4(7Z,10Z,13Z,16Z))",CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.927094,3.465934843
TG(10:0/13:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,56.930252,8.854842186
"PE(20:4(8Z,11Z,14Z,17Z)/22:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.930546,3.837502375
"PC(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.93488,5.655635521
"PC(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))",CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.936756,6.696648151
"PE(20:4(8Z,11Z,14Z,17Z)/18:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,56.937798,3.837502375
DG(18:1(9Z)/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,56.93786,7.84521997
TG(8:0/13:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,56.942017,8.854842186
TG(8:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.943752,5.722453445
"PC(O-18:1(9Z)/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COCCCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.945618,4.588568583
"PE(18:4(6Z,9Z,12Z,15Z)/24:0)",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,56.947166,3.837502375
TG(19:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,56.94803,4.81902808
TG(21:0/19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.94924,4.841376841
TG(19:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,56.950794,4.802636802
"PC(22:0/18:4(6Z,9Z,12Z,15Z))",CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.95215,3.465934843
"PC(P-18:1(9Z)/18:3(9Z,12Z,15Z))",CCCCCCCC\C=C/CCCCCC\C=C/OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,56.95519,4.904720932
"PE(20:4(8Z,11Z,14Z,17Z)/15:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,56.956367,3.837502375
TG(14:0/18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,56.959145,8.841566741
"PC(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.95949,6.696648151
"PC(16:0/18:4(6Z,9Z,12Z,15Z))",CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.963234,4.103897139
"PE(20:4(8Z,11Z,14Z,17Z)/20:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,56.96645,3.837502375
TG(21:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,56.966957,4.841376841
"PC(15:0/20:4(8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.970196,4.103897139
DG(19:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,56.974068,5.90515621
"PC(18:0/18:4(6Z,9Z,12Z,15Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.97851,4.103897139
"PC(16:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,56.97866,4.103897139
"PE(20:4(8Z,11Z,14Z,17Z)/24:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,56.978745,3.837502375
TG(12:0/18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,56.97918,8.395817876
"PC(15:0/18:4(6Z,9Z,12Z,15Z))",CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.98059,4.103897139
TG(12:0/22:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.981148,8.395817876
"PE(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,56.981396,4.061029479
TG(19:0/19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,56.98285,5.057617277
"PC(14:1(9Z)/18:3(9Z,12Z,15Z))",CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,56.98369,4.103897139
"PC(18:0/20:4(8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.98464,4.103897139
"PE(20:4(8Z,11Z,14Z,17Z)/14:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,56.98491,4.342656583
DG(16:0/i-24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,56.985683,5.90515621
"PC(20:0/18:4(6Z,9Z,12Z,15Z))",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.986362,4.103897139
"PC(22:0/20:4(8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.992207,3.465934843
TG(21:0/22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,56.995667,6.375283003
"PC(24:0/18:4(6Z,9Z,12Z,15Z))",CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,56.99717,3.465934843
"PC(22:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.00186,3.465934843
"PC(14:0/18:4(6Z,9Z,12Z,15Z))",CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,57.00571,4.103897139
"PC(15:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.006226,4.103897139
"PC(20:3(5Z,8Z,11Z)/22:4(7Z,10Z,13Z,16Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.006756,5.655635521
"PC(24:0/20:4(8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,57.009594,3.465934843
"PC(20:0/20:4(8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,57.01061,3.465934843
TG(8:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,57.01111,4.802636802
"PC(18:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.011494,4.103897139
"PC(14:0/20:4(8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,57.014576,4.103897139
"PE(P-18:0/22:4(7Z,10Z,13Z,16Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.015278,4.346292466
"PE(P-18:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,57.01949,4.346292466
"PC(20:3(5Z,8Z,11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,57.027824,5.655635521
"PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.02901,4.346292466
"PC(20:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.031937,3.465934843
TG(19:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,57.03226,4.802636802
"PC(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,57.034454,5.655635521
"PC(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.040604,5.655635521
"PC(24:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.04087,3.465934843
"PC(14:0/20:4(5Z,8Z,11Z,14Z))",CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.04565,4.103897139
TG(14:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,57.047913,4.802636802
"PE(P-18:0/20:4(8Z,11Z,14Z,17Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,57.04913,4.346292466
TG(18:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,57.05006,5.722453445
"PC(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,57.053905,5.655635521
"PC(20:3(8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.055542,5.655635521
DG(19:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,57.06246,5.90515621
DG(22:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,57.065758,5.90515621
TG(13:0/10:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,57.06615,8.854842186
"PC(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,57.067493,5.159820244
"PE(P-16:0/22:4(7Z,10Z,13Z,16Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,57.071728,4.346292466
TG(15:0/24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.073494,8.280465752
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TG(15:0/21:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.076904,4.841376841
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TG(8:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,57.094406,4.802636802
TG(10:0/13:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,57.097557,8.854842186
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DG(22:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,57.133125,5.90515621
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DG(21:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,57.138554,5.90515621
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TG(12:0/22:0/16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.142296,7.431530952
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TG(12:0/17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,57.145996,7.431530952
TG(15:0/24:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.14637,8.650314063
TG(18:0/15:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,57.14889,8.650314063
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TG(22:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,57.166904,4.841376841
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TG(12:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,57.16994,5.722453445
TG(10:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,57.172356,5.722453445
TG(12:0/20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,57.17383,8.395817876
TG(17:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,57.174316,4.802636802
TG(12:0/21:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.17554,7.431530952
TG(12:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,57.181038,5.722453445
TG(22:0/21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.181168,5.969008431
TG(18:0/21:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.183132,6.375283003
TG(8:0/15:0/i-21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,57.18325,4.802636802
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DG(19:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,57.192806,5.90515621
TG(15:0/15:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,57.195957,8.424472064
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TG(12:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,57.211437,5.722453445
TG(14:0/22:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.225224,8.280465752
TG(19:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,57.230778,4.802636802
TG(10:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,57.23938,4.802636802
TG(10:0/13:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,57.244312,8.854842186
TG(22:0/14:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,57.24896,8.280465752
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DG(18:1(11Z)/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.25921,7.84521997
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TG(22:0/22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.302185,4.841376841
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TG(10:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,57.31687,5.722453445
TG(17:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,57.324615,4.802636802
TG(14:0/14:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,57.32665,8.395817876
TG(16:0/24:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.32939,8.280465752
DG(17:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,57.33309,5.90515621
TG(18:0/20:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,57.334194,10.90398803
TG(10:0/13:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,57.338528,8.854842186
TG(21:0/21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.34544,6.375283003
TG(8:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,57.35333,4.802636802
TG(15:0/20:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,57.35478,8.280465752
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TG(22:0/21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.359035,6.375283003
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TG(10:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.368618,4.802636802
DG(16:1(9Z)/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,57.369366,5.588813126
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TG(10:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.380558,4.802636802
DG(14:1(9Z)/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,57.38168,5.721065402
TG(8:0/22:0/i-22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.385735,4.802636802
DG(15:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,57.38818,5.90515621
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TG(12:0/15:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,57.425594,7.431530952
TG(22:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,57.430264,4.802636802
TG(17:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.450886,4.802636802
TG(24:1(15Z)/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,57.4526,7.27744475
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TG(12:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,57.466106,7.431530952
TG(14:0/21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.466785,8.841566741
TG(17:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,57.470047,5.722453445
TG(22:0/15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,57.47504,5.057617277
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TG(19:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,57.479164,4.802636802
TG(16:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,57.492554,4.802636802
TG(16:0/15:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,57.49294,8.424472064
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TG(16:0/24:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.50165,8.650314063
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TG(24:1(15Z)/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,57.51308,7.313644141
TG(19:0/14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,57.514713,8.424472064
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TG(8:0/22:0/i-17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.523624,4.802636802
TG(14:0/18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,57.53073,8.395817876
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TG(18:0/16:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,57.551407,8.650314063
DG(16:1(9Z)/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.5516,7.84521997
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TG(8:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,57.55495,4.802636802
TG(22:1(13Z)/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,57.558483,7.52184093
TG(10:0/13:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,57.560314,8.854842186
TG(17:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.566303,4.81902808
TG(13:0/10:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,57.58629,8.854842186
TG(12:0/18:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,57.594765,7.431530952
TG(24:1(15Z)/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,57.595345,7.313644141
TG(22:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,57.597584,5.057617277
TG(10:0/14:0/13:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,57.59778,8.854842186
DG(20:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,57.60676,5.90515621
DG(18:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,57.612255,5.90515621
DG(16:1(9Z)/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,57.61961,7.96405822
TG(22:1(13Z)/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,57.62047,7.313644141
TG(12:0/21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.627327,8.395817876
TG(8:0/21:0/i-17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.628273,4.802636802
TG(10:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,57.633137,5.722453445
TG(20:1(11Z)/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,57.63729,7.313644141
DG(22:1(13Z)/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.645206,6.139148772
DG(17:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,57.64804,5.90515621
TG(14:0/17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,57.64961,8.395817876
TG(18:0/18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,57.6502,8.280465752
TG(13:0/10:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,57.65228,8.854842186
TG(12:0/17:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,57.663177,7.431530952
TG(14:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,57.666595,5.722453445
TG(22:0/18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,57.681076,5.057617277
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TG(8:0/22:0/i-19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.69163,4.802636802
DG(18:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,57.69629,5.90515621
TG(22:0/21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.698425,4.841376841
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TG(12:0/20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,57.72183,7.431530952
TG(22:1(13Z)/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,57.72351,7.313644141
TG(12:0/12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,57.731052,7.431530952
TG(8:0/13:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,57.734016,8.854842186
TG(15:0/18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,57.73458,8.650314063
TG(24:1(15Z)/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,57.737843,7.313644141
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DG(16:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,57.745636,5.90515621
TG(22:1(13Z)/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,57.74726,7.640308142
DG(16:1(9Z)/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,57.751186,7.84521997
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TG(13:0/10:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,57.753853,8.854842186
TG(17:0/14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,57.754147,8.395817876
DG(16:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,57.758488,5.90515621
PC(24:1(15Z)/P-18:1(11Z)),CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC,57.76428,4.321874678
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DG(18:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,57.766987,5.90515621
DG(18:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,57.76768,5.90515621
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TG(14:0/22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.781105,8.650314063
TG(19:0/21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.78252,4.841376841
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TG(12:0/22:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.7854,7.431530952
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TG(12:0/8:0/21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,57.78994,8.854842186
TG(14:0/13:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,57.793423,7.431530952
TG(13:0/10:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,57.7938,8.854842186
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TG(16:0/16:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,57.79965,8.841566741
TG(16:0/20:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,57.801857,8.280465752
TG(8:0/21:0/i-22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.802708,4.802636802
DG(20:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,57.809456,5.90515621
DG(17:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,57.81563,5.663807318
TG(16:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,57.816864,4.802636802
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TG(13:0/8:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,57.822517,8.854842186
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TG(10:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.83962,4.802636802
TG(20:1(11Z)/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,57.846363,7.313644141
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TG(10:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,57.853252,5.722453445
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TG(18:1(11Z)/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,57.86489,7.313644141
DG(15:0/a-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,57.86889,5.90515621
"PE(20:4(5Z,8Z,11Z,14Z)/P-16:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,57.873337,4.346292466
TG(20:1(11Z)/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,57.87764,7.640308142
TG(24:1(15Z)/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,57.881557,7.640308142
"PC(20:1(11Z)/18:3(9Z,12Z,15Z))",CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,57.883686,4.103897139
"PC(22:1(13Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,57.886497,3.465934843
TG(14:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,57.893337,5.722453445
PC(22:1(13Z)/P-18:1(9Z)),CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCC\C=C/CCCCCCCC,57.89491,4.321874678
TG(8:0/12:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,57.896473,8.854842186
TG(8:0/13:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,57.89757,8.854842186
TG(16:0/18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,57.90174,8.650314063
TG(21:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,57.903755,5.057617277
TG(8:0/10:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,57.9048,8.854842186
"PC(22:1(13Z)/20:3(8Z,11Z,14Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,57.906082,3.465934843
cis-5-Tetradecenoylcarnitine,CCCCCCCC\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,57.90622,13.69387954
TG(10:0/10:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,57.907646,8.854842186
"PC(24:1(15Z)/18:3(9Z,12Z,15Z))",CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,57.908962,3.465934843
DG(20:1(11Z)/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.909393,7.84521997
TG(20:0/14:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,57.911903,8.424472064
TG(22:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,57.912262,4.802636802
TG(20:0/16:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,57.91444,8.280465752
TG(10:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.91896,4.802636802
TG(19:0/18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,57.924297,5.057617277
TG(14:0/24:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.930046,10.90398803
TG(22:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,57.93508,4.841376841
Elaidic carnitine,CCCCCCCC\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C,57.935585,10.28632224
TG(13:0/12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,57.938904,7.431530952
TG(12:0/8:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,57.94403,8.854842186
TG(22:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.94581,6.375283003
TG(10:0/8:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,57.947227,8.854842186
TG(24:1(15Z)/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,57.96864,7.53634572
TG(19:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,57.96978,4.841376841
TG(12:0/12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,57.972305,8.854842186
TG(16:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,57.98013,4.802636802
TG(8:0/21:0/i-19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,57.98434,4.802636802
TG(12:0/18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,57.98856,7.431530952
DG(16:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,57.990692,5.90515621
DG(24:0/0:0/24:0),[H]C(O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.996517,5.418537557
TG(18:0/24:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,57.998356,10.20911485
DG(17:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,57.99904,5.579292774
DG(13:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,57.99939,5.663807318
"PE(20:4(8Z,11Z,14Z,17Z)/P-16:0)",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCCCCCCCC,58.001255,4.346292466
TG(8:0/12:0/19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,58.00282,8.854842186
TG(16:0/24:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,58.00333,10.20911485
TG(19:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,58.00391,4.841376841
"PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))",CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,58.004627,4.103897139
TG(13:0/8:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC,58.00598,8.854842186
TG(16:0/22:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.007164,10.90398803
TG(15:0/24:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,58.009293,10.90398803
TG(20:0/24:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,58.01196,10.20911485
TG(13:0/14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,58.012554,7.431530952
TG(22:0/24:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,58.017334,9.543279558
TG(22:1(13Z)/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,58.019543,7.640308142
TG(24:0/O-18:0/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,58.02537,5.733427405
TG(22:0/15:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,58.030426,8.280465752
TG(12:0/20:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,58.031586,7.431530952
DG(20:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,58.035366,5.90515621
TG(8:0/19:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,58.04073,8.854842186
TG(14:0/20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,58.0426,8.424472064
TG(15:0/22:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.057816,8.280465752
TG(16:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,58.057945,4.802636802
TG(14:0/21:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,58.05951,7.431530952
TG(8:0/19:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,58.067055,8.854842186
TG(8:0/13:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC,58.070137,8.854842186
TG(21:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.07955,4.841376841
TG(8:0/21:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,58.08477,8.854842186
TG(20:0/20:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,58.08498,10.20911485
TG(19:0/18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,58.091793,4.841376841
TG(10:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,58.091877,5.722453445
TG(18:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,58.092598,4.802636802
TG(10:0/8:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,58.100086,8.854842186
TG(18:0/22:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.1013,10.20911485
TG(16:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,58.10407,4.802636802
TG(8:0/10:0/21:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,58.10889,8.854842186
DG(18:1(11Z)/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,58.111042,7.84521997
TG(20:1(11Z)/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,58.113945,7.53634572
9-Hexadecenoylcholine,CCCCCC\C=C/CCCCCCCC(=O)OCC[N+](C)(C)C,58.114857,19.8081404
TG(21:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,58.126305,4.841376841
DG(18:1(11Z)/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.12877,7.84521997
TG(8:0/22:0/i-16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.13055,4.802636802
"PC(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,58.135246,4.103897139
TG(12:0/16:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,58.141796,8.854842186
TG(17:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,58.145466,4.802636802
TG(20:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,58.147938,4.81902808
DG(24:1(15Z)/24:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,58.148983,6.139148772
TG(19:0/22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.15118,6.375283003
TG(8:0/14:0/i-24:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,58.152065,4.802636802
TG(22:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,58.153374,4.81902808
TG(22:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,58.159916,4.841376841
TG(19:0/21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,58.164158,6.375283003
TG(22:0/16:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,58.164516,10.90398803
DG(16:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,58.165447,5.90515621
"PC(22:1(13Z)/18:3(9Z,12Z,15Z))",CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,58.168144,3.465934843
TG(15:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,58.178116,4.802636802
TG(22:0/18:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,58.17953,10.20911485
DG(18:1(11Z)/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,58.18053,7.64669925
TG(8:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.184013,5.722453445
TG(12:0/17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,58.191914,7.431530952
TG(18:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,58.199883,4.802636802
"PC(14:1(9Z)/20:4(8Z,11Z,14Z,17Z))",CCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,58.204,4.103897139
DG(13:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,58.2103,4.503183812
DG(18:1(11Z)/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,58.21357,7.84521997
DG(18:1(9Z)/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,58.214127,7.64669925
TG(20:0/22:0/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,58.215263,10.20911485
TG(22:1(13Z)/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,58.21672,7.53634572
"PC(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,58.21673,4.103897139
DG(15:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,58.21748,5.579292774
TG(19:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,58.221146,4.81902808
TG(19:0/15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,58.226368,4.81902808
TG(8:0/21:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,58.22805,8.854842186
TG(18:1(11Z)/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,58.22913,7.640308142
TG(8:0/19:0/i-16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,58.23065,5.722453445
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TG(10:0/10:0/21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,58.2322,8.854842186
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TG(18:1(9Z)/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,58.251072,7.313644141
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TG(22:1(13Z)/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,58.391644,7.802833617
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TG(14:0/21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,58.39612,8.650314063
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DG(15:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,58.414215,5.90515621
PE(P-18:1(9Z)/22:1(13Z)),[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,58.415695,4.452895001
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TG(20:1(11Z)/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,58.42327,7.802833617
TG(10:0/19:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,58.434063,8.854842186
TG(12:0/15:0/15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,58.436886,8.854842186
DG(8:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,58.441055,6.831377745
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TG(20:0/20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,58.460594,8.280465752
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TG(21:0/14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,58.4705,8.650314063
DG(18:1(9Z)/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,58.471596,7.84521997
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TG(10:0/12:0/19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,58.482132,8.854842186
TG(16:0/24:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,58.48214,10.90398803
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DG(17:0/a-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,58.57145,5.663807318
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DG(8:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCC(C)C,59.59305,8.751513809
TG(19:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,59.59683,5.722453445
TG(21:0/17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,59.598858,8.280465752
TG(21:0/20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,59.60505,5.057617277
DG(8:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCC(C)C,59.60667,7.943159342
TG(16:0/14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,59.60729,7.431530952
"6,9,12,15,18,21-Tetracosahexaenoic acid",CCC=CCC=CCC=CCC=CCC=CCC=CCCCCC(O)=O,59.608715,11.9820118
TG(10:0/22:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.614,7.431530952
DG(16:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,59.629093,4.503183812
"PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0)",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,59.6303,3.837502375
TG(14:0/22:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.632282,8.424472064
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,59.63266,4.542465508
"PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,59.634544,3.837502375
TG(16:0/20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,59.63476,4.802636802
"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,59.637108,3.837502375
"PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:0)",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.639328,3.837502375
"PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:0)",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,59.639523,3.837502375
"PC(22:0/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.64349,3.465934843
"PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,59.645,3.837502375
TG(8:0/20:0/i-16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,59.64514,4.802636802
DG(13:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,59.64726,6.668579578
"PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.65143,3.837502375
"PE(14:1(9Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,59.654266,4.342656583
"PE(20:5(5Z,8Z,11Z,14Z,17Z)/16:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,59.654305,3.837502375
TG(13:0/12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,59.65432,7.431530952
TG(20:0/22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.655754,5.969008431
TG(14:1(9Z)/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,59.65943,7.53634572
"PE(22:5(7Z,10Z,13Z,16Z,19Z)/15:0)",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,59.660366,3.837502375
TG(16:0/19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,59.666252,5.057617277
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:0)",[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,59.666622,3.837502375
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(11Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,59.670734,4.542465508
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:0)",[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.672977,3.837502375
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:0)",[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCC,59.675686,3.837502375
TG(21:0/16:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,59.67628,8.280465752
"PE(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,59.67648,3.837502375
TG(13:0/14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,59.68054,7.431530952
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0)",[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,59.681343,3.837502375
TG(10:0/18:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,59.6845,8.854842186
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,59.686188,3.836326674
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)",[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCC,59.68687,3.837502375
"PE(24:1(15Z)/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,59.68732,3.752648458
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z))",[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC,59.68756,4.542465508
TG(10:0/17:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,59.688217,8.854842186
TG(15:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,59.690582,4.802636802
TG(22:0/16:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,59.69341,4.841376841
"PC(18:1(9Z)/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,59.694397,4.103897139
TG(20:0/22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.694405,4.841376841
TG(18:1(9Z)/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,59.695522,7.414897531
"PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,59.701096,4.346292466
"PC(18:2(9Z,12Z)/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,59.715004,4.103897139
TG(21:0/15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,59.716,4.802636802
TG(20:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,59.71991,4.841376841
"PE(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,59.72382,3.837502375
TG(17:0/15:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,59.72724,4.802636802
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC,59.72796,3.836326674
CPA(18:1(11Z)/0:0),CCCCCC\C=C/CCCCCCCCCC(=O)OCC1COP(O)(=O)O1,59.7289,5.811932683
"PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.730385,4.103897139
TG(22:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,59.73304,4.802636802
TG(14:0/20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,59.73647,7.431530952
"PE(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,59.738438,4.342656583
TG(20:0/17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,59.73863,8.280465752
TG(21:0/15:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,59.741123,5.057617277
TG(21:0/15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,59.74342,4.81902808
TG(17:0/17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,59.743626,4.802636802
TG(10:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,59.74491,5.577648804
TG(16:0/22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.744934,5.057617277
"PC(20:0/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.74765,3.465934843
"PE(16:1(9Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,59.748623,4.342656583
"PC(P-18:1(11Z)/20:3(5Z,8Z,11Z))",CCCCCCCC\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO\C=C/CCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,59.74936,4.611585662
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,59.752247,3.836326674
TG(13:0/14:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,59.75616,7.431530952
"PC(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,59.75692,4.542465508
"PC(22:2(13Z,16Z)/20:3(8Z,11Z,14Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,59.7572,3.465934843
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)",[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC,59.75823,3.837502375
"PE(24:1(15Z)/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,59.76274,3.752648458
TG(14:0/19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,59.764957,8.395817876
TG(20:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,59.765633,5.969008431
"PC(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,59.765675,3.836326674
TG(18:0/21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,59.767937,8.280465752
DG(8:0/a-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,59.76936,6.668579578
"PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,59.770363,4.542465508
TG(22:0/20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,59.77205,4.841376841
CPA(18:1(9Z)/0:0),CCCCCCCC\C=C/CCCCCCCC(=O)OCC1COP(O)(=O)O1,59.7739,5.811932683
DG(12:0/i-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,59.775608,6.668579578
"PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.777924,4.103897139
TG(20:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,59.778393,4.841376841
"PE(20:1(11Z)/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,59.77882,3.752648458
TG(14:1(9Z)/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,59.778942,7.802833617
TG(16:1(9Z)/18:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,59.779327,7.414897531
"PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.779957,4.103897139
"PE(24:1(15Z)/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,59.783554,3.752648458
DG(13:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,59.786655,4.176246747
"PC(24:0/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.78815,3.465934843
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TG(13:0/12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,59.796356,8.854842186
DG(8:0/a-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,59.797935,6.831377745
LysoPA(0:0/18:1(9Z)),CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)COP(O)(O)=O,59.799145,1.747892983
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TG(8:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,59.80081,5.577648804
DG(8:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCCCC(C)CC,59.804558,8.673549443
TG(19:0/20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,59.813095,8.280465752
TG(10:0/10:0/i-21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,59.818954,5.722453445
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TG(14:1(9Z)/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,59.823265,7.414897531
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TG(13:0/14:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,59.82726,8.854842186
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PC(14:1(9Z)/P-18:1(9Z)),CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,59.837173,5.212296918
TG(i-16:0/14:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,59.838387,4.802636802
TG(13:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,59.843094,4.802636802
TG(18:1(9Z)/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,59.844364,7.414897531
"PE(18:3(6Z,9Z,12Z)/P-18:1(9Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)O\C=C/CCCCCC\C=C/CCCCCCCC,59.84601,4.346292466
PC(P-18:1(9Z)/14:1(9Z)),CCCCCCCC\C=C/CCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC,59.846764,5.212296918
"PC(16:0/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.847317,4.103897139
TG(17:0/18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,59.84759,5.057617277
"PC(22:0/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,59.84837,3.465934843
"PC(18:0/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.85085,3.465934843
TG(12:0/15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,59.85176,7.431530952
TG(12:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,59.858646,4.802636802
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TG(15:0/22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.859203,8.650314063
TG(22:0/20:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,59.862457,5.969008431
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TG(17:0/16:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,59.86363,4.802636802
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TG(21:0/8:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,59.86683,4.802636802
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TG(17:0/20:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,59.86709,8.280465752
DG(19:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,59.86773,5.438110232
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"PC(24:0/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,59.88015,3.647267446
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TG(8:0/15:0/i-16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,59.896698,5.722453445
PC(16:1(9Z)/P-18:1(9Z)),CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,59.896755,5.212296918
"PC(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,59.899178,3.836326674
"PC(22:2(13Z,16Z)/18:3(9Z,12Z,15Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,59.899326,3.465934843
PC(14:1(9Z)/P-18:1(11Z)),CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C,59.899963,5.212296918
TG(8:0/8:0/8:0),[H]C(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)OC(=O)CCCCCCC,59.900337,6.971366704
TG(i-16:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,59.90036,4.802636802
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"PC(20:0/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,59.902348,3.465934843
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"PC(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,59.904846,3.836326674
TG(10:0/20:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,59.90964,7.431530952
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TG(20:0/20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,59.910133,4.81902808
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TG(i-17:0/14:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,59.91675,4.802636802
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TG(14:0/15:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,59.923553,7.431530952
TG(14:0/19:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,59.923824,7.431530952
PC(16:1(9Z)/P-18:1(11Z)),CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,59.925537,5.212296918
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TG(22:0/17:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,59.92696,4.841376841
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TG(20:0/15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,59.93576,8.841566741
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TG(20:0/19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,59.94188,8.280465752
PC(18:1(11Z)/P-18:1(9Z)),CCCCCCCC\C=C/CCCCCC\C=C/OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C,59.949375,5.212296918
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TG(14:0/22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,59.962074,8.841566741
TG(10:0/16:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,59.962814,8.854842186
TG(14:0/15:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,59.964703,7.431530952
TG(14:1(9Z)/18:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,59.965153,7.414897531
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TG(16:0/18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,59.97032,4.802636802
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TG(18:0/15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,60.322475,8.424472064
TG(14:1(9Z)/16:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,60.3229,7.414897531
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TG(15:0/21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.324776,8.650314063
TG(14:0/17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,60.327423,7.431530952
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TG(17:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,60.3346,4.841376841
TG(21:0/21:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.33765,5.057617277
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TG(i-16:0/22:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,60.358616,4.81902808
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TG(21:0/13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,60.36262,4.802636802
TG(8:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,60.37213,5.577648804
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TG(21:0/14:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.37892,5.057617277
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TG(17:0/12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,60.38378,7.431530952
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TG(17:0/17:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,60.388546,8.841566741
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TG(16:0/12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,60.394268,7.431530952
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TG(14:1(9Z)/14:1(9Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCC,60.39533,7.414897531
TG(i-20:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.40121,4.802636802
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TG(14:0/16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,60.415833,7.431530952
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TG(i-20:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.417824,4.802636802
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TG(i-20:0/17:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,60.424767,4.802636802
TG(10:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,60.428417,4.802636802
TG(21:0/18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,60.430645,4.81902808
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TG(16:0/21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.435944,8.280465752
TG(17:0/18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,60.437557,8.650314063
DG(10:0/i-21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,60.441265,4.503183812
TG(8:0/20:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,60.442295,8.854842186
TG(19:0/18:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,60.44342,8.280465752
TG(20:0/12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,60.445946,8.424472064
TG(21:0/12:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,60.44651,4.802636802
TG(i-20:0/21:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.454445,4.81902808
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TG(10:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.455574,5.722453445
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TG(17:0/21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.4608,8.280465752
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DG(14:1(9Z)/18:1(9Z)/0:0)[iso2],[H][C@@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,60.4709,7.96405822
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TG(13:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,60.474037,4.802636802
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TG(19:0/21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.482845,8.280465752
TG(14:0/8:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,60.48299,8.854842186
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TG(17:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,60.49546,4.802636802
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TG(16:0/14:0/18:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,60.4983,7.431530952
TG(19:0/21:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.498383,10.90398803
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TG(14:0/8:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,60.506435,7.431530952
TG(17:0/22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,60.506668,4.841376841
TG(8:0/14:0/22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,60.507587,7.431530952
TG(19:0/19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,60.511204,8.280465752
TG(18:0/19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,60.515526,8.280465752
DG(20:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,60.515873,5.90515621
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TG(8:0/10:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,60.518353,5.577648804
TG(12:0/8:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,60.521847,8.854842186
TG(16:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,60.526356,5.057617277
DG(a-21:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,60.534386,5.438110232
TG(16:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,60.534733,5.057617277
TG(12:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,60.542744,4.802636802
TG(16:0/19:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,60.54316,8.650314063
TG(16:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,60.543163,4.841376841
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TG(i-22:0/14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.80784,4.81902808
TG(12:0/19:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,60.808838,7.431530952
"PE(P-18:1(11Z)/22:2(13Z,16Z))",[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,60.809155,4.346292466
TG(15:0/16:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,60.80966,4.802636802
"PE(P-18:1(9Z)/22:2(13Z,16Z))",[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,60.81128,4.346292466
"PE(16:1(9Z)/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,60.815258,3.752648458
"PC(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,60.815872,3.836326674
TG(i-22:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.8212,4.802636802
Retinyl palmitate,CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,60.82429,4.812711105
"PE(18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,60.826138,3.837502375
TG(15:0/17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,60.826298,8.395817876
TG(i-16:0/21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.82946,4.802636802
TG(22:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,60.830532,4.802636802
"PC(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,60.83165,3.836326674
TG(8:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,60.833008,4.802636802
"PC(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,60.83569,3.836326674
"PE(20:2(11Z,14Z)/18:1(9Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,60.838665,3.752648458
TG(12:0/21:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.84102,7.431530952
TG(14:0/12:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,60.843266,7.431530952
"PE(20:2(11Z,14Z)/24:1(15Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,60.848335,3.752648458
TG(i-16:0/20:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,60.848404,4.81902808
"PE(18:1(11Z)/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,60.849483,3.837502375
TG(i-20:0/16:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,60.850304,4.802636802
DG(10:0/a-13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,60.852978,6.831377745
TG(13:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,60.85568,4.802636802
TG(8:0/14:0/i-22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.858006,4.802636802
TG(i-16:0/17:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,60.86217,4.802636802
"PE(16:1(9Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,60.863693,3.837502375
TG(i-16:0/15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,60.86632,4.802636802
TG(i-16:0/21:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.870537,4.81902808
"PE(14:1(9Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,60.872005,3.837502375
TG(i-16:0/15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,60.872303,4.802636802
"PE(22:2(13Z,16Z)/20:1(11Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,60.875393,3.752648458
"PE(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,60.877758,3.837502375
TG(16:0/15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,60.879715,4.802636802
TG(21:0/8:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,60.88254,4.802636802
TG(i-18:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.88367,4.802636802
TG(14:0/18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,60.884846,8.395817876
TG(8:0/16:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,60.886692,8.854842186
TG(15:0/17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,60.892136,4.802636802
TG(18:0/12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,60.900307,8.395817876
TG(i-16:0/20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,60.905434,4.802636802
TG(8:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,60.905693,4.802636802
DG(12:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,60.907692,5.579292774
TG(8:0/21:0/i-20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,60.907887,4.802636802
TG(8:0/19:0/i-20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,60.913296,4.802636802
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-16:0)",CCCCCCCCCCCCCC\C=C/OC(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,60.918076,4.904720932
TG(16:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,60.92027,4.802636802
TG(i-20:0/20:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,60.922897,4.841376841
TG(13:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,60.923035,4.802636802
"PE(18:1(9Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,60.9239,3.837502375
TG(8:0/8:0/i-22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,60.92627,5.722453445
TG(i-20:0/17:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,60.936348,5.057617277
TG(12:0/22:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,60.938484,7.431530952
DG(a-21:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,60.9403,4.503183812
TG(i-16:0/16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,60.940483,4.802636802
"PE(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,60.946674,3.837502375
TG(i-20:0/19:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,60.946938,4.841376841
TG(i-20:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.9501,4.802636802
TG(15:0/16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,60.95062,8.395817876
"PE(22:2(13Z,16Z)/22:1(13Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,60.952976,3.752648458
TG(19:0/22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,60.95594,10.90398803
TG(i-19:0/12:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,60.95897,4.802636802
TG(8:0/8:0/i-19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,60.963543,5.722453445
TG(14:0/17:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,60.964687,7.431530952
DG(14:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,60.96475,5.438110232
TG(i-20:0/18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,60.96585,4.802636802
TG(i-17:0/14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,60.96773,4.802636802
DG(a-17:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,60.973717,4.503183812
TG(i-21:0/12:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,60.978897,4.802636802
"PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,60.98088,3.837502375
TG(i-20:0/19:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,60.982784,4.802636802
TG(18:0/16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,60.987316,8.424472064
TG(15:0/20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,60.988773,8.424472064
"PC(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,60.991436,4.103897139
TG(i-20:0/18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,60.99212,5.057617277
TG(i-16:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.00115,4.802636802
TG(12:0/18:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.005573,7.431530952
TG(i-18:0/14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.007736,4.802636802
TG(i-20:0/21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.01026,5.057617277
TG(14:0/18:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.011196,7.431530952
"PE(18:2(9Z,12Z)/20:1(11Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,61.01458,3.752648458
TG(8:0/14:0/i-15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.015636,5.722453445
"PE(22:2(13Z,16Z)/18:1(9Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,61.018703,3.752648458
TG(i-20:0/15:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.02211,4.81902808
"PE(22:2(13Z,16Z)/24:1(15Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,61.023876,3.752648458
TG(14:0/16:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,61.026993,7.431530952
DG(14:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,61.03684,4.503183812
TG(15:0/14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.043034,7.431530952
TG(8:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.043556,4.802636802
TG(8:0/14:0/i-19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.048145,5.722453445
"PE(18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,61.049732,3.837502375
TG(15:0/12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,61.0499,7.431530952
TG(i-17:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.050507,4.802636802
TG(12:0/14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.052807,7.431530952
TG(i-16:0/18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.05334,4.802636802
TG(14:0/14:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.053898,7.431530952
TG(8:0/12:0/17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,61.057323,8.854842186
Ubiquinone Q4,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,61.06328,6.39673546
TG(18:0/18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.068954,8.650314063
TG(i-20:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.068974,4.802636802
TG(12:0/17:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.07104,8.854842186
TG(12:0/8:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,61.074688,8.854842186
TG(8:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.075157,4.802636802
"PE(18:2(9Z,12Z)/22:1(13Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,61.075775,3.752648458
TG(24:0/O-18:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,61.081913,6.727013737
"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol",COC1=C(O)C(O)=C(C)C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O,61.082344,4.718763754
TG(i-20:0/16:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.082714,5.057617277
TG(8:0/18:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.084476,8.854842186
TG(13:0/20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.08501,4.802636802
TG(14:0/17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.08679,7.431530952
"PE(22:1(13Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,61.088055,3.837502375
TG(13:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.091698,4.802636802
Ubiquinol,COC1=C(OC)C(O)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(C)=C1O,61.094242,8.337311447
"PC(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,61.095417,5.655635521
"2-Hexaprenyl-6-methoxy-1,4-benzoquinol",COC1=CC(O)=CC(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O,61.096973,6.840417534
TG(14:0/18:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.09824,7.431530952
"2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone",COC1=C(O)C(=O)C(C)=C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,61.099907,7.352568209
TG(i-18:0/12:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,61.100796,4.802636802
"2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinol",COC1=CC(O)=C(C)C(C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CCC=C(C)C)=C1O,61.102684,7.077416778
TG(20:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,61.104683,5.722453445
Squalene,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,61.10665,12.35361844
Coenzyme Q10,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,61.108337,7.399338484
Coenzyme Q9,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,61.108944,7.909166068
"2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone",COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C(=O)C1=O,61.10952,7.063422352
Ubisemiquinone,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,61.11035,7.399338484
3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid,COC1=CC(=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O)C(O)=O,61.11126,7.293043286
"2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone",COC1=CC(=O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,61.11131,6.374806166
TG(14:0/20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.113106,8.424472064
"2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol",COC1=CC(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1O,61.11406,6.344871968
Ubiquinol-6,COC1=C(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=C1OC,61.11409,8.599996567
TG(8:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.116917,4.802636802
TG(8:0/17:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.117233,8.854842186
"PE(20:1(11Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,61.118507,3.837502375
"2-Hexaprenyl-6-methoxy-1,4-benzoquinone",COC1=CC(=O)C=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O,61.12133,6.374806166
TG(19:0/17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.123024,8.841566741
"PE(16:1(9Z)/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,61.12436,3.752648458
2-Hexaprenyl-6-methoxyphenol,COC1=CC=CC(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C1O,61.124912,6.951846927
"PE(22:1(13Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,61.131203,3.837502375
DG(14:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,61.133705,5.663807318
TG(i-20:0/20:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.13448,4.81902808
TG(13:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.134758,4.802636802
"PE(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,61.138844,3.837502375
TG(15:0/19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.152378,4.802636802
TG(19:0/18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.15453,8.650314063
TG(i-20:0/15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.155617,4.802636802
TG(17:0/19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.158707,5.057617277
TG(i-17:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.159336,4.802636802
TG(19:0/16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,61.15952,8.424472064
TG(12:0/20:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.16211,7.431530952
"PC(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,61.165535,5.655635521
TG(18:0/22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.1666,8.280465752
TG(i-16:0/14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.167255,4.802636802
TG(8:0/20:0/i-20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.169994,4.802636802
TG(i-19:0/12:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,61.170074,4.802636802
TG(14:0/12:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,61.173126,7.431530952
TG(i-16:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.173267,4.802636802
"PE(20:1(11Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,61.17396,3.837502375
TG(i-21:0/12:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,61.175358,4.802636802
TG(10:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,61.17542,4.802636802
TG(8:0/20:0/i-18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.17879,4.802636802
"PC(20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,61.179695,5.655635521
TG(i-20:0/15:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.181095,4.802636802
TG(i-17:0/20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.182987,4.81902808
TG(18:0/20:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.184864,8.650314063
TG(i-20:0/17:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.18726,4.802636802
TG(i-22:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.187275,4.802636802
TG(15:0/22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.19286,8.841566741
TG(14:0/17:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.193222,7.431530952
DG(14:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,61.19449,5.579292774
"PE(18:2(9Z,12Z)/24:1(15Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,61.194763,3.752648458
TG(i-16:0/13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.19629,4.802636802
TG(17:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.19664,4.81902808
"PC(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,61.198967,5.655635521
"PC(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,61.20001,6.696648151
"PE(20:2(11Z,14Z)/14:1(9Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,61.200024,4.246633127
TG(19:0/20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.202206,8.280465752
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:0)",CCCCCCCCCCCCCCCC\C=C/OC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,61.202675,3.219416365
"PC(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,61.205425,5.655635521
"PE(18:2(9Z,12Z)/18:1(9Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC,61.207542,3.752648458
TG(14:0/20:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.210674,7.431530952
"PC(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,61.21144,5.655635521
TG(13:0/15:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.21653,5.722453445
TG(15:0/19:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,61.21834,8.424472064
"PC(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,61.22498,5.655635521
TG(i-17:0/17:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.226025,4.802636802
TG(15:0/20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.227825,5.057617277
TG(15:0/21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.228184,8.841566741
TG(i-24:0/12:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,61.228615,4.802636802
TG(14:0/16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,61.229156,7.431530952
TG(22:0/16:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.22943,5.057617277
"PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))",CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,61.230507,5.655635521
TG(17:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.2334,4.802636802
"PC(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))",CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,61.23622,5.655635521
TG(i-17:0/21:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.236633,4.81902808
TG(14:0/20:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.237274,7.431530952
TG(i-16:0/19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.238117,4.802636802
"PE(18:1(9Z)/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,61.240017,3.837502375
TG(12:0/16:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,61.245865,8.854842186
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DG(a-25:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,61.42484,5.90515621
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DG(a-13:0/12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,61.469208,6.668579578
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TG(13:0/19:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.473618,4.802636802
TG(10:0/20:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.475636,8.854842186
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TG(20:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.484715,4.802636802
TG(16:0/22:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.491207,8.280465752
TG(8:0/17:0/i-18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.492165,5.722453445
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TG(i-20:0/18:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.49881,4.802636802
TG(15:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.50631,5.722453445
TG(i-17:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.5091,4.802636802
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TG(13:0/22:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.51283,4.841376841
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TG(19:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,61.52592,5.722453445
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TG(i-18:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.531227,4.802636802
TG(13:0/21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.531296,4.81902808
TG(14:0/15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,61.5321,7.431530952
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TG(18:0/18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.536816,4.81902808
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TG(13:0/19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.542465,5.057617277
TG(15:0/19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.54796,5.057617277
TG(15:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.55907,4.81902808
TG(14:0/15:0/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,61.560074,7.431530952
TG(8:0/8:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC,61.562057,6.393980235
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TG(13:0/8:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,61.56543,5.722453445
TG(13:0/21:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.57124,5.057617277
TG(i-21:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.573517,4.802636802
TG(15:0/18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.574566,4.802636802
TG(i-16:0/19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.57592,4.802636802
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TG(8:0/13:0/i-17:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.584732,5.722453445
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TG(14:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,61.58862,5.722453445
TG(21:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.59115,5.057617277
TG(19:0/17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.593407,8.650314063
TG(i-16:0/12:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,61.602367,4.802636802
TG(18:0/16:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.60409,4.81902808
TG(8:0/8:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,61.60826,8.854842186
TG(15:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.61044,5.057617277
TG(8:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.614017,5.722453445
TG(10:0/10:0/20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,61.616795,8.854842186
TG(i-21:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.618816,4.802636802
TG(i-20:0/16:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.618996,4.802636802
TG(19:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,61.62114,4.802636802
TG(i-19:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.625763,4.802636802
DG(20:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,61.62818,5.579292774
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TG(22:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,61.629955,4.802636802
DG(17:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,61.63073,4.503183812
TG(18:0/17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.634003,5.057617277
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TG(8:0/8:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC,61.64503,5.478649959
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TG(17:0/15:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,61.651737,8.395817876
TG(18:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.65182,6.375283003
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TG(19:0/18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.659275,8.650314063
TG(14:0/15:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,61.66047,7.431530952
TG(16:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.664837,4.802636802
TG(12:0/12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,61.66502,7.431530952
TG(13:0/8:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,61.67453,5.722453445
TG(13:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.67492,4.81902808
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TG(i-16:0/21:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.68282,4.802636802
TG(8:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.683098,5.722453445
TG(i-19:0/12:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,61.685932,4.802636802
TG(22:0/22:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.691383,4.841376841
TG(i-16:0/18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.691723,4.802636802
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TG(21:0/14:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.694603,4.841376841
TG(20:0/8:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,61.703056,4.802636802
TG(8:0/15:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,61.70443,8.854842186
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TG(i-20:0/15:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.706398,4.81902808
TG(15:0/19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,61.711525,8.424472064
TG(15:0/18:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.72023,7.431530952
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TG(8:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.730503,5.722453445
DG(a-17:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,61.73395,6.668579578
TG(21:0/17:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.7346,5.057617277
TG(19:0/14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.7409,8.395817876
TG(19:0/16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,61.742184,8.841566741
TG(17:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,61.742783,5.722453445
TG(16:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.74876,4.81902808
TG(18:0/22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.760643,4.841376841
TG(i-21:0/14:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.760674,4.802636802
TG(i-21:0/12:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,61.76115,4.802636802
DG(15:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,61.76191,4.176246747
TG(i-21:0/19:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.76285,4.802636802
TG(8:0/10:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,61.767143,8.854842186
TG(i-15:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.77113,4.802636802
TG(18:0/17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.77337,8.424472064
TG(14:0/12:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,61.77527,7.431530952
TG(18:0/18:0/20:0)[iso3],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.78044,8.841566741
TG(15:0/21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.782043,8.424472064
TG(i-19:0/19:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.789806,4.802636802
DG(12:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,61.79063,4.503183812
TG(14:0/14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.797836,7.431530952
TG(18:0/20:0/20:0)[iso3],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.804867,8.650314063
TG(18:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.805077,4.802636802
TG(17:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.80569,5.057617277
TG(15:0/20:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.81137,8.395817876
TG(15:0/18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.8131,4.81902808
TG(15:0/17:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.81756,7.431530952
DG(12:0/i-17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,61.82085,4.176246747
TG(12:0/14:0/22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.822586,7.431530952
TG(10:0/8:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC,61.82419,8.854842186
TG(22:0/17:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.83108,4.841376841
TG(8:0/8:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,61.837906,8.854842186
TG(22:0/8:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,61.847645,4.802636802
TG(15:0/21:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.849636,8.395817876
TG(13:0/18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.850464,4.802636802
TG(17:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,61.85208,5.722453445
TG(14:0/22:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.864986,4.841376841
TG(8:0/14:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.86711,8.854842186
TG(19:0/19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,61.868786,8.280465752
TG(8:0/15:0/10:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,61.870945,8.630773425
TG(15:0/20:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,61.872,8.424472064
TG(i-19:0/18:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.87553,4.802636802
TG(22:0/14:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.889744,4.841376841
TG(15:0/22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.896564,5.057617277
TG(i-24:0/20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.89818,4.841376841
TG(i-21:0/14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.900116,4.802636802
TG(i-19:0/16:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.902294,4.802636802
TG(8:0/8:0/16:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC,61.90779,8.630773425
TG(15:0/14:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.921474,7.431530952
TG(15:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.926056,4.841376841
TG(i-24:0/14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.933506,5.057617277
DG(20:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,61.94604,5.663807318
TG(i-19:0/21:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.94709,4.802636802
TG(i-19:0/17:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.951042,4.802636802
DG(16:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,61.95229,4.503183812
TG(16:0/19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.953415,4.81902808
TG(16:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,61.954365,4.81902808
TG(19:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.95505,5.057617277
TG(19:0/19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,61.96043,5.057617277
DG(12:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,61.96051,5.663807318
TG(18:0/22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,61.960682,6.375283003
TG(i-21:0/21:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.96711,4.81902808
DG(12:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,61.96721,4.503183812
TG(15:0/18:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,61.9715,8.395817876
TG(8:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,61.973026,5.722453445
TG(i-21:0/18:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,61.974037,4.802636802
TG(13:0/13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,61.97685,5.722453445
TG(14:0/14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,61.97792,7.431530952
TG(15:0/17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,61.978848,8.395817876
TG(18:0/20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,61.979454,4.841376841
TG(i-20:0/14:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,61.98037,5.057617277
TG(17:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,61.981487,5.722453445
DG(a-13:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,61.986668,4.609746113
TG(16:0/21:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,61.98787,8.650314063
TG(i-24:0/17:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,61.999767,5.057617277
DG(18:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,62.003513,5.663807318
TG(8:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.00548,5.722453445
TG(16:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.01042,5.722453445
DG(17:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,62.013947,4.176246747
DG(15:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,62.014908,4.39793691
TG(i-19:0/22:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.031254,4.802636802
TG(i-19:0/14:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,62.033623,4.802636802
TG(17:0/20:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,62.03512,8.650314063
TG(22:0/18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,62.04417,5.057617277
TG(i-16:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,62.044197,4.802636802
TG(i-16:0/19:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.044693,4.802636802
TG(8:0/13:0/i-22:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,62.048557,5.722453445
TG(18:0/18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,62.05086,5.057617277
TG(15:0/16:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,62.05401,7.431530952
TG(13:0/8:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.057484,5.722453445
TG(20:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.05962,4.802636802
TG(15:0/22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.07227,4.841376841
TG(i-21:0/16:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,62.077847,4.802636802
TG(i-21:0/17:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,62.082703,4.802636802
TG(15:0/22:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.08409,8.424472064
DG(a-17:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,62.085674,5.663807318
TG(19:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,62.08736,5.057617277
TG(i-24:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,62.09158,4.802636802
DG(12:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,62.09207,4.609746113
TG(12:0/12:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,62.092922,8.854842186
TG(i-20:0/12:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.099678,4.802636802
TG(13:0/8:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.10301,5.722453445
TG(i-24:0/16:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,62.10332,5.057617277
TG(8:0/10:0/15:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,62.103477,8.630773425
TG(8:0/13:0/i-19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,62.110573,5.722453445
TG(8:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,62.110626,5.722453445
TG(22:0/19:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.119205,5.057617277
TG(i-20:0/13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,62.12345,4.802636802
TG(18:0/19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.124252,4.841376841
TG(i-18:0/12:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.124474,4.802636802
DG(10:0/i-22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,62.12493,5.663807318
DG(14:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,62.12712,4.609746113
DG(a-21:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,62.1307,5.90515621
TG(15:0/8:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.134674,4.802636802
TG(14:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,62.135075,5.722453445
TG(13:0/13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,62.135563,4.802636802
TG(20:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,62.13706,5.057617277
DG(10:0/0:0/10:0),[H]C(O)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC,62.14337,8.722634614
TG(18:0/19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,62.1452,8.650314063
TG(13:0/13:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,62.154312,4.802636802
TG(i-24:0/21:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.158016,6.375283003
TG(22:0/8:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.174118,4.802636802
TG(18:0/21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.17441,8.650314063
TG(8:0/10:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,62.186295,8.854842186
DG(10:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC(C)C,62.187073,7.943159342
TG(16:0/16:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,62.18979,8.395817876
TG(i-21:0/22:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.192486,4.81902808
TG(14:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,62.194416,5.057617277
TG(14:0/22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.198395,5.057617277
TG(22:0/14:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,62.198433,5.057617277
TG(8:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.198994,5.722453445
TG(13:0/14:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,62.201073,5.722453445
TG(i-20:0/12:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.203445,4.802636802
TG(16:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,62.204437,5.722453445
TG(i-14:0/14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,62.21899,4.802636802
TG(13:0/13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,62.220356,5.722453445
TG(i-17:0/12:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.223114,4.802636802
DG(10:0/i-15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C,62.22739,6.668579578
DG(a-15:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,62.23467,6.668579578
TG(22:0/20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.23581,6.375283003
TG(10:0/10:0/10:0)[iso],[H]C(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC,62.23639,6.393980235
TG(16:0/8:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.243027,4.802636802
TG(17:0/8:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.243965,4.802636802
DG(16:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,62.244156,4.609746113
TG(10:0/10:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC,62.246193,8.630773425
TG(20:0/19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.249744,4.841376841
TG(i-18:0/12:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.263348,4.802636802
TG(i-22:0/20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.265224,4.841376841
TG(i-20:0/15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,62.265305,4.802636802
TG(19:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,62.265743,5.722453445
TG(22:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,62.26588,5.057617277
DG(18:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,62.266174,4.503183812
TG(16:0/18:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,62.266315,8.424472064
TG(i-24:0/18:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,62.272736,4.841376841
TG(22:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,62.276855,5.722453445
TG(14:0/19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.283344,5.057617277
TG(17:0/21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.285294,8.650314063
TG(14:0/15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,62.28549,7.431530952
TG(19:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.286884,5.057617277
TG(16:0/21:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.289833,8.650314063
TG(15:0/16:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,62.290527,7.431530952
TG(17:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.293312,4.802636802
DG(12:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,62.296284,4.327557236
TG(17:0/22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.302,4.841376841
TG(22:0/17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,62.304382,5.057617277
TG(15:0/8:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,62.3139,8.854842186
TG(i-22:0/12:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.31716,4.802636802
TG(10:0/10:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC,62.317722,8.854842186
TG(19:0/22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.318066,4.841376841
TG(18:0/15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,62.32224,8.395817876
TG(10:0/8:0/15:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC,62.322395,8.630773425
TG(15:0/15:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,62.323566,7.431530952
TG(10:0/8:0/18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,62.325687,8.854842186
DG(14:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,62.32983,4.327557236
TG(17:0/22:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.3334,8.280465752
TG(19:0/12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,62.33852,7.431530952
TG(15:0/14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,62.341,7.431530952
TG(i-19:0/12:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.34187,4.802636802
DG(10:0/i-19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,62.34279,4.176246747
TG(15:0/20:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,62.3439,8.395817876
DG(a-25:0/10:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,62.343945,5.90515621
TG(20:0/22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.345913,6.375283003
TG(i-22:0/17:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,62.36093,5.057617277
TG(15:0/12:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,62.361797,7.431530952
DG(a-25:0/14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,62.365303,5.90515621
TG(12:0/14:0/17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,62.36991,8.854842186
TG(14:0/21:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.37038,4.841376841
DG(a-15:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,62.370678,4.503183812
TG(12:0/15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,62.370735,7.431530952
DG(12:0/i-12:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC(C)C,62.373066,7.572990656
TG(21:0/13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,62.377773,4.802636802
TG(15:0/15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,62.3861,7.431530952
TG(i-24:0/22:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.389374,6.375283003
DG(10:0/i-20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,62.392635,4.503183812
TG(16:0/17:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,62.393074,8.424472064
TG(17:0/12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,62.397484,7.431530952
TG(8:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,62.39809,5.722453445
TG(16:0/15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,62.410675,7.431530952
TG(15:0/14:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,62.419888,7.431530952
TG(21:0/20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.429264,4.841376841
TG(13:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,62.429623,4.802636802
TG(i-20:0/20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.43084,5.057617277
DG(a-21:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,62.43349,5.579292774
TG(20:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,62.435116,4.841376841
TG(i-21:0/12:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.436623,4.802636802
TG(i-16:0/14:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,62.438152,4.802636802
TG(18:0/14:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,62.442444,8.395817876
TG(i-22:0/12:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,62.44976,4.802636802
TG(i-22:0/21:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.452118,4.841376841
TG(20:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.45218,5.057617277
TG(i-20:0/17:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,62.452953,4.802636802
DG(10:0/i-18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC(C)C,62.45739,4.609746113
TG(20:0/21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.460365,4.841376841
TG(15:0/20:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,62.460724,7.431530952
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TG(i-21:0/20:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.483734,4.802636802
TG(i-22:0/22:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.485134,4.841376841
TG(18:0/8:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,62.504597,7.431530952
DG(a-17:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,62.50477,5.90515621
TG(i-20:0/21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.511147,5.057617277
TG(17:0/12:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,62.51139,7.431530952
TG(16:0/12:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,62.516544,7.431530952
TG(22:0/21:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.526287,4.841376841
TG(13:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,62.529385,4.81902808
DG(10:0/i-16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)C,62.53104,4.327557236
TG(8:0/15:0/12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,62.53929,8.854842186
TG(i-20:0/20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.540043,5.057617277
TG(16:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,62.54269,4.802636802
TG(12:0/10:0/18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,62.5462,8.854842186
TG(17:0/15:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,62.546803,7.431530952
TG(8:0/14:0/14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,62.553642,8.854842186
DG(a-17:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,62.559227,4.503183812
TG(i-16:0/22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.563557,4.802636802
TG(i-24:0/19:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.5675,4.841376841
TG(22:0/20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,62.57492,4.841376841
TG(8:0/10:0/20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,62.576748,8.854842186
DG(10:0/i-14:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C,62.5773,7.572990656
TG(13:0/16:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,62.58682,4.802636802
TG(18:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,62.595,5.057617277
DG(14:0/0:0/20:2n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,62.598423,7.84521997
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TG(20:0/21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,62.609264,6.375283003
TG(15:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,62.624928,4.81902808
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TG(10:0/8:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC,62.94872,8.630773425
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TG(8:0/14:0/i-12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,62.959915,5.722453445
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TG(15:0/17:0/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,62.969154,7.431530952
TG(19:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,62.969803,4.841376841
TG(13:0/19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.970688,4.802636802
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TG(13:0/19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,62.996944,4.81902808
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TG(21:0/20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,63.004486,4.841376841
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TG(17:0/22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,63.010506,5.057617277
TG(i-21:0/15:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,63.010727,4.802636802
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TG(i-18:0/19:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,63.014267,4.802636802
TG(16:0/17:0/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,63.015263,8.395817876
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TG(8:0/14:0/18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,63.028873,8.854842186
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DG(20:0/0:0/22:2n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,63.041805,7.84521997
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TG(i-19:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,63.087486,4.802636802
TG(i-21:0/12:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,63.088665,4.81902808
TG(15:0/17:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,63.08902,7.431530952
TG(i-22:0/17:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,63.09362,4.81902808
TG(i-18:0/14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,63.09715,4.802636802
TG(20:0/22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,63.100277,4.841376841
TG(14:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,63.1028,4.802636802
TG(15:0/18:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,63.104565,7.431530952
TG(10:0/14:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,63.10486,8.854842186
TG(i-22:0/20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,63.112328,5.057617277
DG(a-15:0/8:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,63.11361,6.831377745
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TG(i-21:0/12:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,63.12594,4.802636802
TG(12:0/8:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,63.126987,4.802636802
TG(19:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,63.12841,4.802636802
TG(8:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,63.130947,4.802636802
TG(14:0/8:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC,63.13453,8.854842186
TG(i-22:0/20:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,63.134693,5.057617277
TG(14:0/21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,63.13516,5.057617277
TG(i-19:0/12:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,63.136444,4.802636802
TG(i-19:0/12:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,63.13805,4.802636802
TG(16:0/16:0/20:0)[iso3],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,63.138958,8.395817876
TG(i-16:0/17:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,63.141968,4.802636802
DG(a-17:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,63.14459,5.90515621
TG(i-18:0/21:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,63.152344,5.057617277
TG(i-19:0/12:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,63.155098,4.802636802
TG(20:0/20:2n6/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,63.163876,7.640308142
DG(a-13:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,63.164024,4.327557236
TG(15:0/16:0/17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,63.16623,7.431530952
DG(15:0/0:0/22:2n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,63.1685,7.84521997
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TG(i-20:0/18:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,63.169655,4.802636802
TG(i-18:0/17:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,63.178104,4.802636802
TG(i-18:0/17:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,63.186497,4.802636802
DG(14:1(9Z)/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,63.186893,7.96405822
TG(16:0/18:0/20:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,63.18746,8.424472064
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TG(17:0/22:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,63.19245,8.650314063
TG(10:0/12:0/16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,63.1939,8.854842186
TG(i-22:0/14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,63.19706,5.057617277
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TG(10:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,63.200863,4.802636802
TG(17:0/19:0/21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,63.20128,8.650314063
TG(i-22:0/15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,63.20303,4.81902808
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TG(i-16:0/16:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,63.211224,4.802636802
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DG(16:0/0:0/22:2n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,63.242416,7.84521997
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TG(i-18:0/22:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,63.243782,5.057617277
TG(i-18:0/16:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,63.244778,4.802636802
TG(i-19:0/20:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,63.253914,4.802636802
TG(i-18:0/12:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,63.254143,4.802636802
TG(21:0/8:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,63.255856,4.802636802
TG(17:0/21:0/19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,63.258488,8.650314063
TG(i-20:0/18:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,63.258537,4.81902808
TG(17:0/21:0/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,63.258987,8.841566741
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TG(17:0/21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.24697,4.81902808
TG(i-18:0/12:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.25005,4.802636802
TG(i-21:0/21:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.25077,4.841376841
TG(i-20:0/20:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.255745,4.802636802
TG(13:0/20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.25711,4.802636802
TG(i-22:0/17:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.25764,4.802636802
"PE(18:3(6Z,9Z,12Z)/16:1(9Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC,64.26501,4.342656583
TG(i-17:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.26939,4.802636802
"PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,64.270645,3.837502375
DG(20:1(11Z)/16:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,64.27095,7.84521997
TG(19:0/17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.27504,4.81902808
TG(13:0/15:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.27728,4.802636802
TG(22:0/8:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,64.280785,4.802636802
"PE(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,64.281,3.837502375
TG(19:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.28102,4.802636802
TG(13:0/20:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.2875,4.81902808
TG(13:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,64.290596,5.722453445
TG(i-21:0/18:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.29081,5.057617277
TG(17:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.29271,4.802636802
TG(17:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.29481,5.057617277
TG(10:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.30003,4.802636802
TG(i-19:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,64.30161,4.802636802
"PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,64.30449,3.837502375
DG(18:1(9Z)/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,64.31048,7.84521997
TG(i-17:0/20:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.31659,4.802636802
TG(13:0/16:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.31857,4.802636802
TG(i-19:0/18:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.31916,4.81902808
TG(16:0/21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.32746,4.81902808
TG(22:0/8:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,64.32787,4.802636802
"PE(18:3(6Z,9Z,12Z)/14:1(9Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCC,64.33228,4.020749032
TG(i-16:0/17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.332664,4.802636802
11Z-hexadecenoic acid,CCCC\C=C/CCCCCCCCCC(O)=O,64.33523,30.9610188
TG(19:0/16:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.34191,4.802636802
TG(i-24:0/18:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.34778,4.81902808
TG(10:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.35012,5.722453445
TG(i-19:0/22:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.35407,5.057617277
TG(i-18:0/18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.358505,4.802636802
TG(i-16:0/16:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.36018,4.802636802
"MG(20:2(11Z,14Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,64.364395,9.411153197
TG(i-17:0/16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.36894,4.802636802
TG(12:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.37656,4.81902808
TG(10:0/19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.3778,4.802636802
TG(i-22:0/12:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.37993,4.81902808
TG(12:0/10:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC,64.380196,8.854842186
TG(22:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.38424,4.802636802
TG(19:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.396126,4.802636802
TG(i-22:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,64.39649,4.81902808
TG(15:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.39699,4.802636802
TG(12:0/12:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,64.40018,8.854842186
TG(20:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.40999,4.802636802
13Z-Octadecenoic acid,CCCC\C=C/CCCCCCCCCCCC(O)=O,64.412926,32.10213482
TG(10:0/8:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,64.41372,5.722453445
TG(19:0/17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.42034,4.802636802
DG(18:1(11Z)/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,64.43205,7.84521997
TG(i-22:0/22:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.43283,5.057617277
TG(12:0/14:0/14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,64.43406,8.854842186
DG(16:1n7/0:0/18:1n9),[H][C@](O)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,64.43562,7.84521997
TG(i-19:0/19:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.43838,4.81902808
TG(i-22:0/12:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.44182,4.802636802
cis-4-Decenoic acid,CCCCC\C=C/CCC(O)=O,64.449715,36.40099764
TG(i-16:0/20:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.46156,4.81902808
"MG(22:2(13Z,16Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,64.463264,9.327312559
TG(i-18:0/22:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.46677,4.802636802
TG(i-17:0/14:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,64.46735,4.802636802
TG(i-21:0/22:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.469864,4.841376841
TG(i-17:0/18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.4709,4.802636802
DG(24:1(15Z)/14:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,64.47256,7.84521997
TG(10:0/14:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,64.47293,8.854842186
TG(i-22:0/20:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.48147,4.81902808
TG(i-17:0/19:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.48842,4.802636802
TG(10:0/12:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC,64.49019,8.854842186
TG(i-16:0/21:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.491005,5.057617277
TG(i-21:0/12:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.49109,4.802636802
TG(10:0/12:0/14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,64.49189,8.854842186
TG(i-17:0/19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.492096,4.81902808
TG(21:0/12:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.49356,4.81902808
TG(i-17:0/17:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.4982,4.802636802
"9,10-Epoxyoctadecenoic acid",CCCCC\C=C/CC1OC1CCCCCCCC(O)=O,64.51233,10.61274633
TG(22:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.51425,5.057617277
TG(i-16:0/15:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.517044,4.802636802
TG(12:0/21:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.51727,5.057617277
TG(10:0/14:0/12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,64.52106,8.854842186
TG(i-16:0/18:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.52932,4.802636802
Myristoleic acid,CCCC\C=C/CCCCCCCC(O)=O,64.531845,34.02625024
TG(i-24:0/17:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.53934,4.802636802
TG(16:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.54113,4.802636802
TG(i-24:0/16:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.541504,4.802636802
TG(i-18:0/20:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.5462,5.057617277
TG(10:0/21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.55025,4.802636802
DG(16:1(9Z)/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,64.551346,7.84521997
TG(i-18:0/15:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.551994,4.802636802
TG(i-17:0/18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.57922,4.802636802
"MG(18:2(9Z,12Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC,64.57935,9.586869925
TG(i-18:0/21:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.58744,5.057617277
TG(22:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,64.59136,4.802636802
TG(i-17:0/16:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.60732,4.802636802
TG(10:0/18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.6124,4.802636802
TG(15:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.616844,4.802636802
TG(i-17:0/15:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.62324,4.802636802
DG(18:1(11Z)/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,64.63538,7.84521997
DG(a-25:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,64.63706,5.90515621
TG(19:0/15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.64977,4.802636802
TG(10:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.66071,5.722453445
TG(10:0/10:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,64.66125,5.722453445
TG(10:0/16:0/i-20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.66221,4.802636802
"MG(22:4(7Z,10Z,13Z,16Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,64.664856,9.327312559
TG(i-24:0/12:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.665184,4.802636802
TG(i-19:0/15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.66754,4.802636802
TG(16:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,64.66925,5.722453445
TG(i-17:0/21:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.67741,4.802636802
TG(i-21:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,64.678734,4.802636802
DG(20:1(11Z)/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,64.67902,7.84521997
TG(21:0/13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,64.684845,4.802636802
TG(19:0/18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.68785,4.802636802
TG(17:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.68818,4.802636802
TG(i-16:0/19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.691475,4.81902808
10Z-Pentadecenoic acid,CCCC\C=C/CCCCCCCCC(O)=O,64.69158,34.81629491
TG(10:0/21:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.69241,4.81902808
TG(10:0/22:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.69292,5.057617277
DG(16:1n7/0:0/18:1n7),[H][C@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,64.69412,7.84521997
TG(20:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.696014,4.81902808
TG(10:0/21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.70051,4.802636802
TG(i-22:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.70123,5.057617277
DG(14:1n5/0:0/14:1n5),[H]C(O)(COC(=O)CCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/CCCCCCCC,64.70841,5.4581929
A-12(13)-EpODE,CC\C=C/CC1OC1C\C=C/CCCCCCCC(O)=O,64.70938,13.43411207
TG(i-24:0/20:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.71223,5.057617277
TG(10:0/22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.71335,4.802636802
TG(10:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.71612,4.802636802
TG(14:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.72703,4.802636802
TG(19:0/20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.72748,5.057617277
TG(i-18:0/17:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.73196,4.802636802
TG(i-21:0/15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.73919,4.81902808
TG(17:0/20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.74273,5.057617277
TG(i-17:0/18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.74828,4.802636802
TG(10:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.752655,4.802636802
TG(14:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.75327,4.802636802
TG(13:0/22:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.75674,4.802636802
9(10)-EpODE,CC\C=C/C\C=C/CC1OC1CCCCCCCC(O)=O,64.7582,12.8712669
TG(22:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,64.759026,4.802636802
TG(16:0/18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.76517,4.802636802
TG(i-24:0/15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.76595,4.81902808
TG(i-24:0/12:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.76707,5.057617277
"MG(18:4(6Z,9Z,12Z,15Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,64.776405,9.79417339
TG(20:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,64.77722,5.722453445
TG(22:0/10:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,64.78273,4.802636802
TG(13:0/19:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.78441,4.802636802
TG(18:0/16:0/4:0),[H][C@@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,64.78516,8.854842186
"MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,64.79635,11.08036935
TG(10:0/17:0/i-20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.798256,4.802636802
TG(16:0/18:0/4:0),[H][C@@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,64.79895,8.854842186
TG(19:0/15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.7993,4.802636802
DG(24:1(15Z)/16:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,64.80137,7.84521997
TG(16:0/16:0/4:0),[H][C@@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,64.802155,8.854842186
TG(20:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.804405,4.802636802
TG(8:0/12:0/i-12:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.80653,5.577648804
TG(10:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.80932,4.802636802
TG(i-24:0/12:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.81299,4.802636802
Vaccenic acid,CCCCCC\C=C\CCCCCCCCCC(O)=O,64.81739,32.10213482
TG(i-20:0/22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.81782,5.057617277
TG(i-20:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.81784,4.81902808
TG(10:0/17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.819954,4.802636802
TG(17:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.828,4.802636802
DG(22:1(13Z)/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,64.830826,7.84521997
TG(18:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.83247,4.802636802
DG(16:1(9Z)/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,64.834045,7.84521997
cis-11-Octadecenoic acid,CCCCCC\C=C/CCCCCCCCCC(O)=O,64.83502,32.10213482
TG(17:0/18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.8362,4.802636802
TG(18:0/21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.83867,5.057617277
"MG(20:4(8Z,11Z,14Z,17Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,64.8516,11.08036935
TG(15:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,64.85177,5.722453445
TG(i-20:0/12:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.85255,4.802636802
DG(18:1(11Z)/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,64.85889,7.84521997
TG(i-20:0/15:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.86415,4.802636802
TG(14:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.871376,4.802636802
TG(15:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,64.87338,5.722453445
TG(i-22:0/15:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.87949,4.802636802
TG(15:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.8995,4.802636802
TG(i-24:0/15:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.90415,4.802636802
TG(19:0/15:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,64.90424,5.057617277
Oleamide,CCCCCCCC\C=C/CCCCCCCC(N)=O,64.91213,36.66701615
DG(16:1n7/0:0/22:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,64.91799,7.84521997
TG(i-17:0/18:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.92253,4.802636802
DG(20:1(11Z)/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,64.94116,7.84521997
TG(i-16:0/19:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.94965,4.81902808
TG(i-22:0/19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,64.952225,5.057617277
5-Tetradecenoic acid,CCCCCCCC\C=C\CCCC(O)=O,64.95271,34.02625024
TG(16:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,64.95589,5.722453445
(E)-2-Nonen-1-ol,CCCCCC\C=C\CO,64.96197,42.21860766
TG(i-18:0/22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.96288,5.057617277
Cetoleic acid,CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O,64.96479,16.17607921
TG(i-18:0/12:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,64.96549,4.802636802
TG(15:0/18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,64.965935,4.802636802
DG(18:1(9Z)/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,64.96609,7.84521997
TG(16:0/17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,64.9689,4.802636802
DG(22:1(13Z)/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,64.97079,7.84521997
TG(19:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,64.97355,4.802636802
Palmitelaidic acid,CCCCCC\C=C\CCCCCCCC(O)=O,64.983665,28.88039649
5Z-Tetradecenoic acid,CCCCCCCC\C=C/CCCC(O)=O,64.98903,34.02625024
TG(16:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,64.98967,4.802636802
TG(18:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,64.99564,5.722453445
TG(10:0/22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,64.99602,4.81902808
TG(13:0/21:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,64.997505,4.802636802
(7E)-Octadecenoic acid,CCCCCCCCCC\C=C\CCCCCC(O)=O,64.99825,32.10213482
TG(i-17:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,64.999954,4.802636802
TG(12:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,65.00425,5.577648804
TG(i-17:0/19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.00465,4.802636802
DG(a-25:0/13:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,65.00498,5.90515621
Palmitoleic acid,CCCCCC\C=C/CCCCCCCC(O)=O,65.00789,28.88039649
TG(i-24:0/20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.010475,4.841376841
trans-12-Octadecenoic acid,CCCCC\C=C\CCCCCCCCCCC(O)=O,65.012825,32.10213482
TG(15:0/21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.017624,4.81902808
TG(i-22:0/12:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.01901,4.81902808
TG(i-16:0/19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.02193,4.802636802
TG(10:0/8:0/i-16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,65.022316,5.722453445
Eicosenoic acid,CCCCCCCC\C=C/CCCCCCCCCC(O)=O,65.0301,24.46686625
DG(a-25:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,65.03061,5.90515621
TG(17:0/17:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.03646,5.057617277
TG(i-24:0/17:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.040245,5.057617277
Nervonic acid,CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O,65.043976,10.72480306
TG(i-17:0/21:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.04926,4.802636802
DG(a-25:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,65.04985,4.955971614
TG(18:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.05696,4.81902808
Elaidic acid,CCCCCCCC\C=C\CCCCCCCC(O)=O,65.05778,32.10213482
TG(20:0/21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.05826,5.057617277
Hypogeic acid,CCCCCCCC\C=C/CCCCCC(O)=O,65.05867,28.88039649
Margaroleic acid,CCCCCCC\C=C/CCCCCCCC(O)=O,65.06101,32.10213482
TG(i-17:0/16:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.062996,4.802636802
DG(16:1n7/0:0/20:1n9),[H][C@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,65.0634,7.84521997
Oleic acid,CCCCCCCC\C=C/CCCCCCCC(O)=O,65.06677,32.10213482
DG(a-25:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,65.0692,5.90515621
trans-6-Octadecenoic acid,CCCCCCCCCCC\C=C\CCCCC(O)=O,65.0773,32.10213482
TG(i-17:0/22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.08561,4.81902808
TG(22:0/13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.085785,4.81902808
10Z-Heptadecenoic acid,CCCCCC\C=C/CCCCCCCCC(O)=O,65.08652,32.10213482
DG(18:1(9Z)/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,65.08716,7.84521997
TG(21:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.08944,5.057617277
TG(13:0/18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.09017,4.802636802
"9,10-DiHODE",CC\C=C/C\C=C/CC(O)C(O)CCCCCCCC(O)=O,65.093216,7.650160789
(10E)-Octadecenoic acid,CCCCCCC\C=C\CCCCCCCCC(O)=O,65.09629,32.10213482
TG(12:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,65.09649,5.722453445
TG(20:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.10639,4.81902808
TG(i-24:0/16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.11072,5.057617277
cis-10-Nonadecenoic acid,CCCCCCCC\C=C/CCCCCCCCC(O)=O,65.11366,31.30825758
TG(i-14:0/20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.1137,4.802636802
TG(19:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.11418,4.802636802
TG(16:0/10:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,65.11534,5.722453445
trans-8-Octadecenoic acid,CCCCCCCCC\C=C\CCCCCCC(O)=O,65.118774,32.10213482
TG(10:0/10:0/i-16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,65.11902,5.722453445
TG(17:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.121864,4.802636802
TG(17:0/20:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.125786,4.841376841
TG(22:0/14:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.126854,4.802636802
TG(14:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.12739,4.802636802
TG(i-14:0/15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.13018,4.802636802
TG(i-17:0/17:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.1309,4.802636802
DG(20:1(11Z)/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,65.13217,7.84521997
TG(19:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.13376,4.802636802
TG(18:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.13892,4.81902808
TG(i-22:0/22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.13921,4.841376841
TG(i-14:0/17:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.14548,4.802636802
TG(18:0/15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.14683,4.81902808
TG(16:0/16:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.15079,4.802636802
Oleoyl glycine,CCCCCCCC\C=C/CCCCCCCC(=O)NCC(O)=O,65.15202,9.648466855
TG(i-14:0/16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.154816,4.802636802
TG(22:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.159035,4.802636802
9-HODE,CCCCC\C=C\C=C\C(O)CCCCCCCC(O)=O,65.16777,14.54785466
TG(i-24:0/12:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.16782,4.802636802
TG(i-18:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.16856,4.802636802
TG(15:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.16871,4.802636802
TG(i-17:0/19:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.17273,4.802636802
TG(15:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.17347,4.802636802
TG(17:0/16:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.17842,4.81902808
TG(15:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.1991,4.802636802
TG(i-14:0/21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.2095,4.802636802
DG(18:1(11Z)/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,65.217094,7.84521997
TG(i-14:0/18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.22029,4.802636802
13-OxoODE,CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O,65.22075,20.52218765
TG(18:0/18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.23531,4.802636802
TG(4:0/16:0/17:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,65.25868,8.854842186
TG(i-18:0/19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.25914,4.802636802
TG(4:0/18:0/18:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,65.26357,8.854842186
TG(i-21:0/15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.26581,4.802636802
TG(i-14:0/19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.26982,4.802636802
TG(16:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.271286,4.802636802
TG(i-24:0/21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.2799,4.841376841
TG(19:0/17:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.284096,4.802636802
TG(19:0/12:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.288025,4.802636802
TG(i-14:0/22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.28952,4.802636802
DG(18:1(9Z)/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,65.29174,7.84521997
TG(10:0/12:0/i-12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.29299,5.722453445
"(8E,10Z)-8,10-Octadecadienoic Acid",CCCCCCC\C=C\C=C/CCCCCCC(O)=O,65.29874,33.21295679
TG(15:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.299194,4.802636802
15(16)-EpODE,CCC1OC1C\C=C/C\C=C/CCCCCCCC(O)=O,65.29962,13.43411207
DG(a-25:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,65.304886,5.90515621
9(S)-HPODE,CCCCC\C=C/C=C/C(CCCCCCCC(O)=O)OO,65.30641,15.38666338
TG(i-24:0/18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.30787,5.057617277
TG(24:0/O-18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.3195,6.495916098
TG(18:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.32232,4.802636802
TG(22:0/12:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.3287,4.81902808
TG(22:0/O-18:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,65.33183,6.964883208
TG(24:0/O-18:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.33248,6.714066863
DG(22:1(13Z)/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,65.334526,7.84521997
TG(16:0/20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.339966,4.81902808
TG(4:0/16:0/18:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,65.3415,8.854842186
TG(4:0/17:0/15:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,65.34483,8.854842186
TG(17:0/16:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.34674,4.802636802
TG(24:0/O-18:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.34889,6.528227031
DG(22:1(13Z)/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,65.35729,7.84521997
TG(16:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.35962,4.802636802
TG(i-17:0/20:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.36202,4.802636802
TG(i-20:0/12:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.36203,4.802636802
TG(10:0/19:0/i-16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.36713,4.802636802
DG(24:1(15Z)/18:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,65.38054,7.84521997
TG(i-18:0/12:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.38109,4.802636802
TG(24:0/O-18:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.38224,6.528227031
TG(i-17:0/12:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.38867,4.802636802
TG(4:0/16:0/16:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,65.39806,8.854842186
TG(i-16:0/12:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.39822,4.802636802
TG(22:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.39881,5.057617277
TG(17:0/19:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.41354,4.802636802
TG(17:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.414276,4.81902808
TG(19:0/16:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.41739,4.802636802
TG(i-19:0/15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.417984,4.802636802
TG(16:0/O-18:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,65.422356,6.618607789
TG(i-22:0/13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.43308,4.802636802
"(7E,9Z)-7,9-Octadecadienoic Acid",CCCCCCCC\C=C/C=C/CCCCCC(O)=O,65.434906,33.21295679
TG(i-22:0/19:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.43608,4.81902808
DG(a-25:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.43825,4.620983452
TG(10:0/22:0/i-16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.441345,4.802636802
TG(20:0/O-18:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,65.443054,6.618607789
"MG(22:5(4Z,7Z,10Z,13Z,16Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,65.44306,10.41696444
TG(i-19:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.443436,4.802636802
DG(24:1(15Z)/18:1(9Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,65.44496,7.84521997
TG(17:0/17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.44573,4.802636802
TG(i-18:0/13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.44584,4.802636802
TG(10:0/14:0/i-12:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.44878,5.722453445
TG(10:0/14:0/i-21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.44897,4.802636802
TG(22:0/13:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.44981,5.057617277
"MG(22:5(7Z,10Z,13Z,16Z,19Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,65.4519,10.41696444
DG(a-25:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.453735,4.620983452
TG(16:0/16:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.45552,4.802636802
"MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,65.45678,10.96613184
TG(24:0/O-18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,65.46706,6.819811463
9-OxoODE,CCCCC\C=C/C=C/C(=O)CCCCCCCC(O)=O,65.472664,20.52218765
TG(14:0/O-18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.474396,6.727013737
TG(i-17:0/12:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.47787,4.802636802
TG(15:0/o-18:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,65.48188,6.618607789
TG(16:0/17:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.48505,4.81902808
TG(10:0/21:0/i-16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.4899,4.802636802
"10E,12Z-Octadecadienoic acid",CCCCC\C=C/C=C/CCCCCCCCC(O)=O,65.490974,33.21295679
TG(14:0/O-18:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.49124,6.964883208
TG(20:0/O-18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.49277,6.528227031
TG(22:0/O-18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.49323,6.714066863
TG(15:0/O-18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.49356,6.727013737
TG(i-24:0/19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.49382,4.841376841
TG(16:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.496185,4.802636802
TG(4:0/15:0/16:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,65.496605,8.854842186
TG(16:0/O-18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.4968,6.819811463
TG(16:0/O-18:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.499535,6.618607789
TG(10:0/18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.5008,4.802636802
"10Z,12E-Octadecadienoic acid",CCCCC\C=C\C=C/CCCCCCCCC(O)=O,65.50666,33.21295679
TG(18:0/O-18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.50759,6.528227031
DG(18:1n9/0:0/22:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,65.50918,7.84521997
DG(16:1n7/0:0/24:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/CCCCCCCC,65.50952,7.84521997
TG(15:0/21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.51091,4.802636802
TG(4:0/15:0/18:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,65.51096,8.854842186
TG(14:0/O-18:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,65.51184,6.618607789
TG(15:0/O-18:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.511856,6.964883208
TG(14:0/O-18:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.51512,6.618607789
TG(16:0/O-18:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.51618,6.727013737
TG(20:0/O-18:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.520546,6.528227031
TG(22:0/O-18:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.52573,6.819811463
TG(18:0/O-18:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.52961,6.819811463
DG(22:1(13Z)/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,65.529785,6.877754629
TG(22:0/13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.53047,4.802636802
TG(20:0/O-18:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.530495,6.727013737
TG(22:0/O-18:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.53105,6.528227031
TG(15:0/o-18:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.54006,6.618607789
TG(14:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,65.54819,5.722453445
DG(a-25:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,65.55676,4.955971614
"(9E,11Z)-9,11-Octadecadienoic Acid",CCCCCC\C=C/C=C/CCCCCCCC(O)=O,65.55829,33.21295679
DG(18:1n7/0:0/22:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,65.56235,7.84521997
"9E,11E-Octadecadienoic acid",CCCCCC\C=C\C=C\CCCCCCCC(O)=O,65.564224,33.21295679
Bovinic acid,CCCCCC\C=C\C=C/CCCCCCCC(O)=O,65.56602,33.21295679
TG(14:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,65.56655,5.722453445
TG(i-16:0/12:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.56824,4.802636802
DG(20:1(11Z)/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,65.56914,7.84521997
TG(6:0/18:0/18:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,65.5739,8.854842186
TG(18:0/O-18:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OCCCCCCCCCCCCCCCCCC,65.57527,6.618607789
TG(20:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.576324,5.057617277
"(11Z,13E)-11,13-Octadecadienoic Acid",CCCC\C=C\C=C/CCCCCCCCCC(O)=O,65.58118,33.21295679
"(11E,13Z)-11,13-Octadecadienoic Acid",CCCC\C=C/C=C/CCCCCCCCCC(O)=O,65.58251,33.21295679
TG(14:0/O-18:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.58661,6.618607789
TG(i-17:0/15:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.59095,4.802636802
TG(i-21:0/20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.59356,5.057617277
TG(18:0/O-18:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.59651,6.964883208
TG(16:0/17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.59914,4.802636802
TG(18:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.60174,4.802636802
TG(17:0/21:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.60417,4.81902808
TG(6:0/16:0/18:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,65.609314,8.854842186
TG(10:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.61119,4.802636802
TG(i-16:0/12:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.615204,4.802636802
DG(18:1n9/0:0/20:1n9),[H][C@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,65.62265,7.84521997
"(11E,15E)-11,15-Octadecadienoic Acid",CC\C=C\CC\C=C\CCCCCCCCCC(O)=O,65.62674,33.21295679
TG(i-18:0/19:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.6335,4.802636802
TG(6:0/16:0/16:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,65.63578,8.854842186
TG(20:0/O-18:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.637634,6.819811463
TG(15:0/O-18:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.64048,6.618607789
TG(17:0/18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.64519,4.802636802
TG(10:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.64733,4.81902808
TG(16:0/O-18:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.64855,6.964883208
TG(6:0/16:0/20:0),[H][C@](COC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,65.65147,8.854842186
TG(17:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.65413,4.802636802
"5Z,13Z-Docosadienoic acid",CCCCCCCC\C=C/CCCCC\C=C/CCCCC(O)=O,65.65461,16.61011577
TG(10:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.65469,4.802636802
TG(22:0/O-18:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.65534,6.528227031
TG(i-17:0/22:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.659355,4.802636802
TG(18:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,65.66014,5.722453445
TG(17:0/17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.66502,4.802636802
TG(10:0/16:0/i-16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.67345,5.722453445
DG(24:1(15Z)/22:1(13Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,65.67434,6.877754629
TG(16:0/16:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.678024,4.81902808
TG(24:0/O-18:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,65.68179,6.528227031
TG(10:0/17:0/i-16:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.685036,5.722453445
TG(18:0/O-18:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,65.68659,6.727013737
"(12E,14Z)-12,14-Octadecadienoic Acid",CCC\C=C/C=C/CCCCCCCCCCC(O)=O,65.68712,33.21295679
"(12Z,14E)-12,14-Octadecadienoic Acid",CCC\C=C\C=C/CCCCCCCCCCC(O)=O,65.69726,33.21295679
TG(20:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.697266,4.802636802
TG(i-24:0/14:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.69989,4.802636802
TG(i-16:0/12:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.702484,4.802636802
"MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,65.70312,8.924556524
TG(i-21:0/15:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.70322,4.802636802
TG(17:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.70465,4.802636802
TG(16:0/19:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.707565,4.802636802
DG(24:1(15Z)/20:1(11Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,65.709114,7.84521997
TG(19:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.71775,4.81902808
"PE(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,65.72114,4.061029479
TG(i-19:0/20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.73793,4.81902808
TG(i-22:0/18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.73868,5.057617277
TG(i-22:0/12:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.739845,4.802636802
TG(10:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.7419,4.802636802
TG(17:0/22:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.74332,4.81902808
"MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)",[H][C@](O)(CO)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,65.74397,10.25070176
TG(i-17:0/13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.757385,4.802636802
"PE(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,65.75992,4.061029479
13-HOTE,CC\C=C/CC(O)\C=C\C=C/CCCCCCCC(O)=O,65.76843,14.54785466
"(12Z,15Z)-12,15-Octadecadienoic Acid",CC\C=C/C\C=C/CCCCCCCCCCC(O)=O,65.771835,33.21295679
17-Hydroxylinolenic acid,CC(O)\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,65.77394,19.72499341
TG(19:0/14:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.78398,4.802636802
TG(10:0/15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.78868,4.802636802
TG(i-16:0/12:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.79042,4.802636802
DG(24:1(15Z)/24:1(15Z)/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,65.791145,6.877754629
Alpha-Linoleoylcholine,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC[N+](C)(C)C,65.79819,14.27945197
TG(10:0/12:0/i-21:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.803566,5.722453445
TG(17:0/17:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.80685,4.802636802
DG(20:1n9/0:0/22:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,65.80746,7.84521997
TG(10:0/21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.81412,4.802636802
TG(20:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,65.81893,4.802636802
TG(i-15:0/15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.82065,4.802636802
"7Z,10Z-Hexadecadienoic acid",CCCCC\C=C/C\C=C/CCCCCC(O)=O,65.8209,27.94779241
TG(16:0/20:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.821915,5.057617277
TG(i-20:0/18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.83171,5.057617277
Eicosadienoic acid,CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O,65.83913,27.70136595
Calendic acid,CCCCC\C=C/C=C/C=C/CCCCCCC(O)=O,65.84236,31.22401536
TG(10:0/22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.84521,4.802636802
TG(i-18:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.85074,4.802636802
TG(10:0/18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.85126,4.802636802
TG(17:0/16:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.855225,4.802636802
DG(18:1n9/0:0/24:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,65.86032,7.84521997
Linoelaidic acid,CCCCC\C=C\C\C=C\CCCCCCCC(O)=O,65.861404,33.21295679
"11,12,15-TriHETRE",CCCCCC(O)\C=C\C(\O)=C(\O)C\C=C\CCCCCCC(O)=O,65.8683,6.824036688
TG(16:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.87843,4.802636802
DG(18:1n7/0:0/24:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC,65.88427,7.84521997
"11H-14,15-EETA",CCCCCC1OC1\C=C\C(O)C\C=C/C\C=C/CCCC(O)=O,65.88436,11.75725833
TG(i-17:0/12:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.886444,4.802636802
TG(22:0/13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.88737,4.802636802
TG(17:0/20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.88813,4.81902808
TG(16:0/21:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,65.8925,4.802636802
TG(i-21:0/16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,65.90058,4.802636802
TG(16:0/18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,65.90208,4.802636802
TG(12:0/10:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,65.902336,5.722453445
TG(16:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.90768,4.802636802
"PE(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,65.91668,4.061029479
TG(i-20:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.9226,4.802636802
TG(i-20:0/19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.92574,5.057617277
TG(i-16:0/22:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.92727,4.802636802
"PE(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,65.9287,4.595608264
TG(i-14:0/15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.929665,4.802636802
TG(17:0/14:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,65.93727,4.802636802
"PE(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,65.93758,4.061029479
TG(i-14:0/20:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,65.94173,4.802636802
TG(15:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,65.942055,4.802636802
TG(17:0/15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.94311,4.802636802
Linoleic acid,CCCCC\C=C/C\C=C/CCCCCCCC(O)=O,65.94356,33.21295679
TG(12:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,65.9587,5.722453445
TG(10:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.95907,5.722453445
TG(17:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.963394,4.802636802
DG(22:1n9/0:0/24:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,65.9647,6.139148772
TG(i-17:0/12:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,65.96884,4.802636802
"PE(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,65.97626,4.061029479
"PE(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,65.982346,4.061029479
"PE(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,65.99239,4.061029479
TG(18:0/22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.99261,5.057617277
TG(16:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,65.99551,5.057617277
TG(i-24:0/15:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,65.996925,4.802636802
TG(10:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.011635,4.802636802
TG(17:0/16:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.01462,4.802636802
TG(i-22:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.01651,4.802636802
TG(21:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.017136,4.81902808
"PE(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,66.023964,4.061029479
"PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,66.02611,4.061029479
DG(20:1n9/0:0/24:1n9),[H][C@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,66.02764,7.84521997
TG(20:0/16:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.03108,4.802636802
TG(i-20:0/22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.032326,5.057617277
TG(20:0/10:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.03504,4.802636802
TG(i-20:0/20:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.05254,4.841376841
TG(4:0/14:0/15:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,66.05309,8.630773425
TG(16:0/22:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.0534,4.81902808
TG(16:0/17:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.06042,4.802636802
"PE(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,66.06372,4.061029479
"PE(22:2(13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,66.06385,4.061029479
TG(i-14:0/17:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.07121,4.802636802
TG(i-19:0/21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.072784,5.057617277
"PE(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,66.08013,4.061029479
TG(i-24:0/13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.08596,4.802636802
TG(i-22:0/19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.08934,4.841376841
TG(16:0/16:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.09092,4.802636802
"PE(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,66.09505,4.061029479
TG(4:0/10:0/16:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC,66.09633,6.393980235
TG(4:0/8:0/16:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC,66.09776,5.478649959
"PE(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,66.1014,4.061029479
TG(4:0/14:0/16:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,66.10462,8.854842186
TG(i-16:0/16:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.107605,4.802636802
"8,15-DiHETE",CCCCCC(O)\C=C\C=C/C=C/C(O)C\C=C/CCCC(O)=O,66.10765,5.01204282
TG(17:0/20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.11584,4.81902808
TG(i-21:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.11693,4.81902808
"PE(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,66.117546,4.061029479
TG(18:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.11846,4.802636802
TG(i-18:0/18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.12394,4.81902808
TG(4:0/14:0/18:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,66.124,8.854842186
"PE(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,66.12487,4.061029479
TG(i-16:0/19:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.12672,4.802636802
"PE(18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,66.1268,4.061029479
TG(12:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.12879,4.802636802
"14,15-DiHETrE",CCCCCC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.12881,6.210745499
TG(20:0/17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.131714,4.81902808
"PE(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,66.13669,4.061029479
TG(i-16:0/18:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.13889,4.802636802
15-KETE,CCCCCC(=O)\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.15004,14.11990076
TG(15:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.152504,4.802636802
TG(12:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.15517,4.802636802
"PE(22:2(13Z,16Z)/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,66.1553,4.061029479
TG(i-19:0/20:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.15576,5.057617277
TG(22:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.15608,5.057617277
TG(16:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.15769,4.802636802
"PE(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,66.1585,4.061029479
"5,6-DHET",CCCCC\C=C/C\C=C/C\C=C/CC(O)C(O)CCCC(O)=O,66.16257,6.210745499
TG(10:0/16:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.16625,5.722453445
TG(15:0/10:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.16812,5.722453445
"8,9-DiHETrE",CCCCC\C=C/C\C=C/CC(O)C(O)C\C=C/CCCC(O)=O,66.16817,6.210745499
TG(i-20:0/17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.16941,5.057617277
TG(i-14:0/21:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.17294,4.802636802
"PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,66.17326,4.061029479
TG(i-24:0/20:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.185356,5.057617277
TG(4:0/12:0/16:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,66.191696,8.630773425
12-HETE,CCCCC\C=C/CC(O)\C=C/C=C\C\C=C\CCCC(O)=O,66.195,11.02440134
TG(i-16:0/12:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.197845,4.802636802
"11,12-DiHETrE",CCCCC\C=C/CC(O)C(O)C\C=C/C\C=C/CCCC(O)=O,66.19922,6.210745499
"11,14,15-THETA",CCCCCC(O)C(O)\C=C\C(O)C\C=C/C\C=C/CCCC(O)=O,66.1993,4.834623635
TG(4:0/10:0/14:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC,66.199615,5.478649959
TG(14:0/O-18:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.213135,6.618607789
TG(14:0/O-18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.21613,6.618607789
TG(i-24:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.21779,4.802636802
"14,15-epoxy-5,8,11-eicosatrienoic acid",CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.23202,10.09646505
TG(22:0/O-18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.237564,6.727013737
TG(i-16:0/17:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.238495,4.802636802
TG(15:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,66.2388,5.722453445
"PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,66.23976,4.061029479
"PE(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,66.2411,4.061029479
TG(16:0/O-18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.24375,6.618607789
TG(i-14:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.24859,4.802636802
TG(20:0/O-18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.24881,6.964883208
TG(19:0/13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.249695,4.802636802
TG(4:0/14:0/14:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,66.25259,8.630773425
TG(16:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.25544,4.802636802
TG(i-19:0/17:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.26334,4.802636802
TG(i-19:0/16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.27104,4.802636802
TG(i-21:0/18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.2722,4.81902808
TG(i-21:0/17:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.27245,4.802636802
TG(15:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.273384,4.802636802
TG(15:0/O-18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.27443,6.618607789
TG(17:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.27747,4.802636802
TG(4:0/12:0/14:0),[H][C@](COC(=O)CCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC,66.292534,6.393980235
TG(i-21:0/21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.29283,5.057617277
TG(20:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.30379,4.81902808
TG(16:0/14:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.30784,4.802636802
Linoleoyl ethanolamide,CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCO,66.3084,15.17029256
TG(i-21:0/14:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.31355,4.802636802
TG(19:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.31751,4.802636802
TG(16:0/20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.32143,4.802636802
TG(i-13:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.32588,5.722453445
TG(20:0/O-18:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.327286,6.727013737
TG(i-21:0/16:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.33054,4.802636802
TG(i-16:0/20:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.333374,4.802636802
"PE(20:3(8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,66.33575,4.061029479
TG(8:0/12:0/i-14:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.33856,5.722453445
TG(18:0/O-18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.338615,6.618607789
TG(22:0/O-18:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.33911,6.819811463
Thromboxane B3,CC\C=C\CC(O)\C=C\C1OC(O)CC(O)C1C\C=C\CCCC(O)=O,66.342575,5.021739379
TG(i-21:0/19:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.342674,4.81902808
TG(16:0/O-18:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.34828,6.618607789
TG(18:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.348854,4.802636802
TG(i-16:0/21:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.35147,4.802636802
TG(i-13:0/14:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.355644,4.802636802
"17,18-EpETE",CCC1OC1C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.361824,11.47057116
TG(12:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,66.36221,5.722453445
TG(i-21:0/20:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.3631,4.81902808
TG(i-21:0/18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.36791,4.802636802
TG(18:0/O-18:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,66.370575,6.964883208
TG(10:0/17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.37863,4.802636802
TG(17:0/17:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.38446,4.81902808
TG(i-21:0/21:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.38653,5.057617277
TG(20:0/20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.38849,5.057617277
TG(i-14:0/18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.39176,4.802636802
TG(10:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.40475,4.802636802
TG(i-20:0/21:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.4147,4.841376841
TG(18:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.41502,4.81902808
"14,15-EpETE",CC\C=C/CC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.41523,11.47057116
TG(i-24:0/17:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.41794,4.81902808
TG(i-24:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.42686,5.057617277
TG(i-18:0/19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.43017,4.81902808
TG(21:0/10:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.433334,4.802636802
TG(i-19:0/18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.434746,4.802636802
TG(16:0/16:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.435555,4.802636802
TG(13:0/14:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.43861,4.802636802
TG(i-20:0/16:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.440056,4.81902808
17-HETE,CCCC(O)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.445595,11.02440134
TG(16:0/15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.45295,4.802636802
TG(15:0/17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.45408,4.802636802
TG(15:0/16:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.47199,4.802636802
TG(18:0/16:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.47473,4.802636802
TG(16:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.47536,5.722453445
TG(i-20:0/15:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.47668,5.057617277
TG(i-16:0/12:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.48257,5.722453445
TG(10:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.49311,4.802636802
TG(15:0/16:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.50965,4.802636802
TG(12:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.510506,4.802636802
TG(i-24:0/16:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.52436,4.81902808
TG(16:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.532166,4.802636802
"17,18-DiHETE",CCC(O)C(O)C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.5358,5.506649613
TG(18:0/17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.538,4.81902808
TG(i-24:0/15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.54169,5.057617277
TG(i-16:0/15:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.546974,5.722453445
"19,20-DiHDPA",CCC(O)C(O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,66.54837,4.322801158
TG(17:0/15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.554924,4.802636802
TG(i-17:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.55576,5.722453445
TG(18:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.56238,4.802636802
"14,15-DiHETE",CC\C=C/CC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.56296,5.506649613
TG(i-17:0/12:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.56732,5.722453445
"PE(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,66.56851,4.061029479
Resolvin E1,CCC(O)\C=C\C=C/CC(O)\C=C\C=C\C=C/C(O)CCCC(O)=O,66.57144,3.920992464
TG(i-14:0/19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.57707,4.802636802
TG(10:0/15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.57897,4.802636802
TG(18:0/10:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.58086,5.722453445
TG(15:0/17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.58529,4.802636802
"PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,66.58703,4.061029479
TG(19:0/13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.58731,4.802636802
TG(16:0/17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.588715,4.802636802
TG(i-20:0/13:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.59366,4.802636802
TG(22:0/16:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.598076,4.81902808
TG(14:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.59979,4.802636802
TG(i-19:0/19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.60845,4.81902808
TG(i-19:0/21:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.61524,4.81902808
TG(i-14:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.61996,4.802636802
TG(i-16:0/12:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.620804,5.722453445
TG(12:0/16:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.62377,4.802636802
TG(12:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.625984,4.802636802
TG(12:0/17:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.62956,4.802636802
TG(i-21:0/19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.63385,5.057617277
TG(20:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.64759,4.802636802
TG(21:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.65561,4.81902808
"8,9-Epoxyeicosatrienoic acid",CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(O)=O,66.65607,9.417968988
TG(21:0/15:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.661446,4.81902808
15-HEPE,CC\C=C/C(O)C\C=C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.66304,11.48270071
"11,12-EpETrE",CCCCC\C=C\CC1OC1C\C=C/C\C=C\CCCC(O)=O,66.663895,9.417968988
"5,6-Epoxy-8,11,14-eicosatrienoic acid",CCCCC\C=C/C\C=C/C\C=C/CC1OC1CCCC(O)=O,66.66551,9.417968988
TG(i-18:0/22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.66814,4.81902808
TG(16:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.67192,4.81902808
TG(10:0/14:0/i-24:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.68321,4.802636802
5-HEPE,CC\C=C/C\C=C/C\C=C/C\C=C/C=C/C(O)CCCC(O)=O,66.6883,11.48270071
17-HDoHE,CC\C=C/CC(O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,66.68979,9.982232749
TG(13:0/14:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.69141,4.802636802
Docosahexaenoic acid,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,66.69238,14.18699771
TG(12:0/13:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.701515,4.802636802
Eicosapentaenoic acid,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.70152,24.91107136
TG(15:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.70694,4.802636802
20-Hydroxyeicosatetraenoic acid,OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.70753,12.92659342
12-HEPE,CC\C=C/C\C=C/CC(O)\C=C\C=C/C\C=C/CCCC(O)=O,66.70975,11.48270071
N-Arachidonoyl glycine,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(O)=O,66.71094,9.251624346
TG(16:0/15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.71974,4.802636802
"PE(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,66.7198,4.061029479
TG(i-22:0/22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.725426,5.057617277
TG(12:0/17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.72652,4.802636802
TG(17:0/15:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.726906,4.81902808
Clupanodonic acid,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O,66.73092,14.28347379
TG(13:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.7315,4.802636802
TG(18:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,66.73308,5.722453445
"PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,66.74085,4.061029479
TG(12:0/20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.740906,5.057617277
TG(20:0/15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.74231,4.802636802
TG(i-16:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.74563,5.722453445
TG(i-21:0/14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.74601,4.81902808
Tetracosapentaenoic acid (24:5n-3),CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,66.74893,14.19229954
TG(15:0/O-18:0/15:0),[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,66.75085,5.841717869
TG(i-20:0/18:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.75336,5.057617277
"DG(14:0/20:2(11Z,14Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,66.755554,7.84521997
TG(20:0/O-18:0/20:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,66.757034,6.019304693
TG(i-16:0/22:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.758606,5.057617277
TG(22:0/10:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.75868,4.802636802
TG(16:0/O-18:0/16:0),[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,66.75874,5.841717869
"PE(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,66.758934,4.061029479
TG(22:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.75951,5.057617277
Anandamide,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO,66.7635,11.71231866
TG(19:0/12:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.76443,5.722453445
Arachidonic acid,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,66.768524,27.70136595
TG(16:0/21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.771065,5.057617277
Tetracosapentaenoic acid (24:5n-6),CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O,66.77237,14.19229954
TG(21:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.77426,4.802636802
TG(21:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.776344,4.81902808
TG(i-20:0/19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,66.7774,5.057617277
TG(i-18:0/12:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.78007,5.722453445
TG(18:0/O-18:0/18:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,66.79072,6.147347391
13-HETE,CCCCC\C=C/C(O)\C=C/C\C=C/C\C=C/CCCC(O)=O,66.79318,11.02440134
TG(20:0/15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.79806,4.81902808
5-KETE,CCCCC\C=C/C\C=C/C\C=C/C=C/C(=O)CCCC(O)=O,66.79899,14.11990076
TG(i-20:0/12:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.800095,4.802636802
TG(i-14:0/14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.81095,4.802636802
"DG(18:0/20:2(11Z,14Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,66.81485,7.84521997
TG(14:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,66.82082,5.722453445
TG(15:0/15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.826706,4.802636802
TG(22:0/O-18:0/22:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,66.82696,5.761946738
TG(15:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.82913,5.722453445
TG(16:0/17:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.82977,4.802636802
TG(15:0/20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,66.83055,4.802636802
TG(i-19:0/12:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.83188,5.722453445
TG(i-19:0/17:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.833595,4.81902808
TG(14:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.835846,4.802636802
TG(20:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.83817,4.802636802
Docosatetraenoic acid,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O,66.83894,15.81230462
TG(18:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.84037,5.057617277
TG(i-19:0/17:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.85119,4.802636802
"PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,66.85488,4.061029479
TG(i-22:0/12:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.85613,4.802636802
"DG(14:0/22:2(13Z,16Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,66.856224,7.84521997
"PE(P-18:1(9Z)/18:3(6Z,9Z,12Z))",[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,66.85689,4.346292466
"PE(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,66.86147,4.061029479
TG(i-19:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.8633,4.802636802
TG(12:0/18:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.87016,5.722453445
TG(15:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.87445,4.802636802
TG(17:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,66.87498,4.802636802
"DG(15:0/20:2(11Z,14Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,66.87986,7.84521997
"PE(P-18:1(11Z)/18:3(6Z,9Z,12Z))",[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,66.88735,4.346292466
9-HETE,CCCCC\C=C/C\C=C/CC(O)\C=C/C=C/CCCC(O)=O,66.89234,11.02440134
"DG(20:0/20:2(11Z,14Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,66.894035,7.84521997
"PE(P-18:1(11Z)/20:3(8Z,11Z,14Z))",[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,66.89881,4.346292466
TG(i-19:0/21:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.90293,5.057617277
TG(i-19:0/16:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.90347,4.802636802
TG(12:0/15:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.90351,4.802636802
"PE(P-18:1(9Z)/18:3(9Z,12Z,15Z))",[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,66.90476,4.346292466
"DG(18:0/22:2(13Z,16Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,66.91001,7.84521997
"PE(P-18:1(9Z)/20:3(5Z,8Z,11Z))",[H][C@@](CO\C=C/CCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,66.91059,4.346292466
TG(20:0/22:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,66.91646,5.057617277
TG(14:0/13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,66.92598,4.802636802
TG(22:0/17:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,66.926125,4.81902808
TG(i-24:0/18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.92791,5.057617277
"PE(P-18:1(11Z)/18:3(9Z,12Z,15Z))",[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,66.92829,4.346292466
TG(i-14:0/14:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.93696,5.722453445
TG(17:0/12:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,66.937035,5.722453445
"DG(16:0/22:2(13Z,16Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,66.941826,7.84521997
"PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)O\C=C/CCCCCCCC\C=C/CCCCCC,66.94334,4.795886576
"PE(P-18:1(11Z)/20:3(5Z,8Z,11Z))",[H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,66.94382,4.346292466
"DG(22:0/20:2(11Z,14Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,66.956184,7.84521997
"DG(15:0/22:2(13Z,16Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,66.96027,7.84521997
"PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,66.96663,4.061029479
TG(i-14:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.96704,4.802636802
TG(i-22:0/14:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.97914,5.057617277
TG(i-19:0/18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.9837,4.802636802
TG(14:0/16:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,66.98771,4.802636802
TG(i-14:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,66.99119,5.722453445
"DG(20:0/22:2(13Z,16Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,66.99222,7.84521997
TG(21:0/18:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,66.99717,4.802636802
TG(20:0/15:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,66.99765,5.057617277
TG(22:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,66.99896,4.81902808
"DG(16:0/18:2(9Z,12Z)/0:0)",[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,67.00132,7.84521997
"PE(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC,67.00211,4.061029479
TG(10:0/20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,67.00723,4.802636802
TG(i-14:0/20:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,67.00747,4.802636802
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TG(15:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,67.33507,4.802636802
TG(14:0/17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,67.33644,4.802636802
TG(i-14:0/18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,67.336784,4.802636802
"PE(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,67.340706,4.481115192
TG(i-14:0/16:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,67.34455,4.802636802
Gamma-Linolenic acid,CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O,67.34667,29.12572026
TG(15:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,67.350266,4.81902808
TG(13:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,67.35458,5.722453445
TG(i-14:0/18:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,67.35489,4.802636802
TG(12:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,67.36164,4.802636802
"PE(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,67.36208,4.481115192
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,67.367325,5.655635521
TG(22:0/12:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,67.36891,4.802636802
"PE(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,67.36958,4.481115192
TG(17:0/14:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,67.370636,4.802636802
"PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.374596,4.061029479
TG(20:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,67.383125,4.81902808
TG(22:0/20:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,67.38758,5.057617277
"PE(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.38919,4.061029479
"9Z,11E,15Z-Octadecatrienoic acid",CC\C=C/CC\C=C\C=C/CCCCCCCC(O)=O,67.39112,31.22401536
"PE(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.39283,4.061029479
TG(13:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,67.395325,5.722453445
TG(i-18:0/17:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,67.40111,4.802636802
"PE(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.40329,4.061029479
"9Z,11E,15E-Octadecatrienoic acid",CC\C=C\CC\C=C\C=C/CCCCCCCC(O)=O,67.40429,31.22401536
"PE(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,67.40502,4.481115192
TG(i-14:0/21:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,67.40658,4.802636802
TG(15:0/21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,67.41484,5.057617277
TG(i-18:0/16:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,67.41674,4.802636802
"PE(18:4(6Z,9Z,12Z,15Z)/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,67.41918,4.481115192
"PE(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,67.42003,4.481115192
TG(i-14:0/13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,67.42426,5.722453445
TG(14:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,67.42434,4.802636802
TG(13:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,67.4293,5.722453445
"PE(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,67.42958,4.481115192
"PE(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,67.43132,4.061029479
"PE(18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,67.43171,4.481115192
TG(14:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,67.43215,4.802636802
TG(14:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,67.43291,4.802636802
"PE(22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.43394,4.061029479
"PE(22:4(7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,67.43665,4.481115192
"PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,67.43868,4.481115192
"PE(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,67.44139,4.061029479
"PE(24:1(15Z)/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.44468,4.061029479
"PE(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.44658,4.061029479
"PC(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))",[H][C@@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,67.44692,5.159820244
TG(18:0/20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,67.45322,4.802636802
TG(18:0/10:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,67.45881,4.802636802
TG(20:0/19:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,67.46038,4.81902808
TG(i-18:0/21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,67.46142,4.81902808
"PE(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,67.4639,4.061029479
TG(i-18:0/16:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,67.46931,4.802636802
9-HOTE,CC\C=C/CC\C=C\C=C(\O)CCCCCCCC(O)=O,67.47849,13.43897432
TG(14:0/18:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,67.48788,4.802636802
"PE(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z))",[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,67.488396,4.061029479
TG(i-18:0/17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,67.49322,4.81902808
TG(13:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,67.49488,4.802636802
"PE(18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,67.49548,4.481115192
TG(i-14:0/19:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,67.4963,4.802636802
TG(13:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,67.498116,4.802636802
TG(14:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,67.49999,4.802636802
TG(15:0/22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,67.50183,5.057617277
TG(22:0/10:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,67.50721,4.802636802
TG(16:0/15:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,67.50857,4.802636802
"PE(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,67.529976,4.481115192
TG(i-21:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,67.53237,4.81902808
TG(16:0/14:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,67.532524,4.802636802
"PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.536224,5.159820244
TG(22:0/14:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,67.53868,4.802636802
TG(i-24:0/14:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,67.54002,4.841376841
TG(i-14:0/18:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,67.54028,4.802636802
"PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.54525,5.159820244
"PE(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,67.545876,4.481115192
"PE(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))",[H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,67.56026,4.061029479
TG(17:0/13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,67.56044,4.802636802
"PE(20:4(8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,67.56858,4.481115192
TG(17:0/20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,67.5771,5.057617277
TG(i-18:0/18:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,67.57939,4.802636802
"PE(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,67.57985,4.481115192
TG(12:0/19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,67.58713,4.802636802
TG(i-13:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,67.58778,5.722453445
"PC(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.58913,5.159820244
"8,11,14-Eicosatrienoic acid",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O,67.59198,27.70136595
"PE(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.59263,4.346292466
"PE(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,67.593956,4.481115192
"PE(P-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](CO\C=C/CCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,67.59899,4.346292466
TG(19:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,67.61394,4.802636802
TG(i-16:0/21:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,67.61835,4.841376841
TG(22:0/13:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,67.61981,4.81902808
"PE(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z))",[H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,67.62143,4.061029479
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TG(19:0/14:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,68.00381,4.802636802
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TG(13:0/20:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,68.01767,4.802636802
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TG(14:0/22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,68.043884,5.057617277
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TG(19:0/10:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,68.080826,4.802636802
TG(22:0/14:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,68.08129,5.057617277
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TG(i-14:0/12:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,68.08959,5.722453445
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TG(i-20:0/22:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,68.103645,4.841376841
TG(15:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,68.106445,5.722453445
TG(21:0/13:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,68.11003,4.81902808
TG(13:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,68.11217,5.722453445
TG(14:0/16:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,68.116776,4.81902808
TG(13:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,68.11923,4.802636802
TG(21:0/13:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,68.13145,4.802636802
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TG(15:0/14:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,68.13892,4.802636802
TG(13:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,68.141716,4.802636802
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TG(12:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,68.15777,5.722453445
TG(19:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,68.17395,4.802636802
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TG(19:0/10:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,68.186134,4.802636802
TG(i-18:0/15:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,68.18658,4.802636802
TG(i-17:0/12:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,68.19228,5.722453445
TG(19:0/13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,68.200294,4.802636802
TG(i-19:0/17:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,68.20069,4.802636802
TG(18:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,68.203125,5.722453445
TG(i-19:0/16:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,68.20687,4.802636802
TG(13:0/21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,68.20738,4.81902808
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TG(16:0/13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,68.21121,4.802636802
TG(i-19:0/14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,68.21673,4.802636802
TG(16:0/14:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,68.22023,4.81902808
TG(19:0/13:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,68.225075,4.81902808
TG(i-14:0/14:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,68.22584,5.722453445
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TG(i-14:0/15:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,68.23057,4.802636802
TG(18:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,68.2456,4.802636802
TG(12:0/15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,68.25966,4.802636802
TG(i-14:0/17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,68.26258,4.802636802
TG(i-19:0/21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,68.269684,4.81902808
TG(20:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,68.27132,4.802636802
TG(i-14:0/16:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,68.27818,4.802636802
TG(i-14:0/20:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,68.28888,4.802636802
TG(20:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,68.29046,4.802636802
TG(17:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,68.2917,4.802636802
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TG(i-19:0/20:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,68.30942,4.81902808
TG(i-18:0/19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,68.31565,4.802636802
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TG(i-14:0/12:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,68.334045,4.802636802
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TG(i-14:0/12:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,68.34463,5.722453445
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TG(i-14:0/12:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,68.3558,5.722453445
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TG(13:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,68.35946,4.802636802
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DG(i-16:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,71.97735,5.438110232
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TG(24:0/22:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,71.99581,10.20911485
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TG(10:0/15:0/i-22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.02102,4.802636802
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TG(24:0/18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,72.285286,8.650314063
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DG(i-19:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.286575,5.579292774
TG(15:0/15:0/15:0),[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,72.28964,7.431530952
"TG(22:5(4Z,7Z,10Z,13Z,16Z)/O-18:0/18:4(6Z,9Z,12Z,15Z))",[H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,72.289925,8.29898864
TG(19:0/8:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,72.29128,4.802636802
TG(8:0/15:0/i-18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.29386,5.722453445
TG(22:0/15:0/22:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,72.295654,8.280465752
TG(20:0/15:0/20:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,72.29813,8.424472064
"PC(20:3(8Z,11Z,14Z)/P-18:1(11Z))",CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C,72.30095,4.611585662
TG(20:0/10:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,72.30704,4.802636802
TG(15:0/22:0/15:0),[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,72.30875,8.395817876
N-Lignoceroylsphingosine,CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCCCCCCCCCCCC,72.30953,5.965895951
TG(14:0/16:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,72.310646,4.802636802
TG(i-21:0/22:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,72.310844,4.841376841
TG(12:0/21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,72.31252,4.802636802
TG(14:0/15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.314255,4.802636802
"PC(18:3(9Z,12Z,15Z)/P-18:1(11Z))",CCCCCC\C=C/CCCCCCCC\C=C/OC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C,72.314384,4.904720932
TG(16:0/12:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,72.315445,5.722453445
"TG(22:5(4Z,7Z,10Z,13Z,16Z)/O-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,72.32248,7.432077825
TG(24:0/20:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,72.32531,10.20911485
TG(18:0/14:0/18:0)[iso3],[H]C(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,72.3282,7.431530952
TG(15:0/24:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,72.33401,8.650314063
DG(i-21:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,72.3408,5.90515621
TG(21:0/12:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,72.341774,4.81902808
TG(12:0/19:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,72.3423,4.802636802
TG(17:0/14:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,72.34412,4.802636802
TG(21:0/12:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,72.34433,4.802636802
TG(i-18:0/19:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,72.34641,4.841376841
TG(15:0/20:0/15:0),[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,72.34716,7.431530952
DG(i-21:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,72.3481,5.90515621
TG(14:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,72.34844,4.802636802
TG(16:0/14:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,72.34924,4.802636802
TG(i-19:0/20:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,72.352875,4.841376841
DG(i-13:0/0:0/8:0),CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCC(C)C,72.35358,8.673549443
TG(10:0/20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,72.364426,4.802636802
TG(20:0/14:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,72.3647,5.057617277
TG(12:0/21:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,72.36868,4.802636802
N-Palmitoylsphingosine,CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCCCCCC,72.37055,7.605812699
TG(15:0/16:0/15:0),[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,72.37282,7.431530952
"TG(18:4(6Z,9Z,12Z,15Z)/O-18:0/22:5(7Z,10Z,13Z,16Z,19Z))",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,72.37732,8.29898864
TG(20:0/24:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,72.377815,10.20911485
TG(12:0/18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,72.38045,4.802636802
TG(14:0/17:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,72.38337,4.802636802
TG(22:0/24:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,72.386826,9.543279558
TG(20:0/14:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,72.387764,4.802636802
DG(16:0/0:0/22:4n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,72.38976,7.84521997
TG(15:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.39291,5.722453445
TG(14:0/20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,72.40061,4.802636802
DG(22:0/0:0/22:4n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,72.402466,7.84521997
TG(i-14:0/13:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,72.408226,4.802636802
TG(19:0/14:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,72.40879,4.802636802
DG(15:0/0:0/22:4n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,72.41093,7.84521997
TG(i-14:0/10:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,72.42029,5.722453445
TG(16:0/15:0/16:0),[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,72.422806,7.431530952
TG(i-19:0/16:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,72.4232,5.057617277
TG(12:0/21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,72.425476,4.81902808
TG(i-17:0/13:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,72.43499,4.802636802
DG(i-21:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,72.43572,5.90515621
TG(i-19:0/17:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,72.43972,5.057617277
TG(15:0/18:0/15:0),[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,72.44341,7.431530952
TG(24:0/16:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,72.44348,8.280465752
DG(i-21:0/15:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.44447,5.90515621
TG(20:0/8:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,72.445045,4.802636802
TG(14:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,72.44664,4.802636802
TG(20:0/10:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,72.45054,4.802636802
TG(i-18:0/15:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.45362,4.81902808
"TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]",[H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC,72.45656,7.779162377
TG(14:0/20:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,72.46082,5.057617277
"PC(P-18:1(11Z)/22:4(7Z,10Z,13Z,16Z))",CCCCCC\C=C/CCCCCCCC\C=C/OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,72.46454,4.066842049
DG(i-17:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,72.476006,5.90515621
TG(20:0/20:0/20:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,72.47623,8.280465752
DG(18:0/0:0/22:4n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,72.47855,7.84521997
DG(i-17:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,72.48104,5.90515621
TG(i-15:0/22:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,72.485115,4.802636802
DG(20:0/0:0/22:4n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,72.49613,7.84521997
TG(i-22:0/15:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.4969,4.841376841
TG(24:0/15:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,72.49762,8.280465752
TG(16:0/8:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,72.50237,5.722453445
"TG(14:0/18:4(6Z,9Z,12Z,15Z)/O-18:0)",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,72.50301,7.414897531
TG(16:0/14:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,72.50308,4.802636802
TG(i-14:0/17:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,72.5051,4.802636802
TG(16:0/24:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,72.50652,10.20911485
TG(14:0/20:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,72.50667,7.431530952
TG(i-16:0/10:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,72.50809,5.722453445
TG(20:0/10:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,72.51673,4.802636802
TG(i-14:0/8:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,72.51688,5.722453445
"DG(18:1(9Z)/18:2(9Z,12Z)/0:0)",CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,72.52546,7.84521997
Palmitoylethanolamide,CCCCCCCCCCCCCCCC(=O)NCCO,72.527115,18.94911975
TG(24:0/20:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,72.53239,10.20911485
"TG(14:0/20:4(5Z,8Z,11Z,14Z)/O-18:0)",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,72.54566,7.414897531
TG(i-12:0/14:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,72.54833,5.722453445
TG(16:0/14:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,72.54927,7.431530952
DG(i-17:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,72.55597,5.90515621
TG(15:0/10:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,72.55635,4.802636802
DG(i-24:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,72.55719,5.90515621
TG(15:0/10:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,72.55837,5.722453445
"TG(14:0/20:4(8Z,11Z,14Z,17Z)/O-18:0)",[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC,72.55891,7.414897531
DG(i-18:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,72.56382,5.90515621
TG(i-24:0/8:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,72.57187,4.802636802
TG(12:0/17:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,72.57296,4.802636802
DG(i-17:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,72.57302,5.438110232
TG(24:0/15:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,72.57477,8.280465752
TG(24:0/16:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,72.575195,10.90398803
TG(8:0/15:0/i-20:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,72.57678,5.722453445
TG(20:0/14:0/14:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC,72.577286,7.431530952
TG(24:0/20:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,72.586975,8.280465752
TG(i-16:0/8:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,72.595726,5.722453445
TG(22:0/24:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,72.596504,10.90398803
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TG(i-12:0/14:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.268456,5.722453445
TG(12:0/14:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.27084,5.722453445
TG(i-21:0/13:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.27222,4.802636802
TG(i-15:0/12:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.27474,4.802636802
TG(i-12:0/10:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.27572,5.722453445
DG(i-24:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,73.27787,5.90515621
TG(12:0/12:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.28815,5.722453445
DG(i-20:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,73.290634,5.90515621
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TG(14:0/16:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,73.29848,4.802636802
TG(16:1(9Z)/18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,73.30535,8.424472064
TG(i-24:0/22:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.30672,4.841376841
TG(i-20:0/13:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.30944,4.802636802
TG(i-20:0/13:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.310394,4.802636802
TG(i-20:0/14:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.31528,5.722453445
TG(i-12:0/10:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.31591,5.722453445
TG(i-16:0/10:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.31758,4.802636802
TG(i-24:0/22:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.32904,5.969008431
TG(10:0/13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.331,5.722453445
TG(15:0/8:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,73.332886,5.722453445
DG(i-20:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,73.33834,5.90515621
DG(i-24:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,73.340355,5.90515621
TG(i-24:0/12:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.34341,4.802636802
TG(16:0/14:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.34521,4.802636802
TG(21:0/21:0/17:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,73.345474,8.280465752
TG(13:0/10:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.34736,5.722453445
DG(i-24:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,73.349754,5.90515621
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TG(i-19:0/22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.35219,6.375283003
TG(i-24:0/13:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.353035,4.81902808
TG(18:0/8:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,73.35466,4.802636802
TG(16:1(9Z)/20:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.35882,8.841566741
TG(i-17:0/12:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.367294,5.722453445
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TG(i-24:0/13:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.369606,4.81902808
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TG(20:0/14:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.38429,4.802636802
TG(i-14:0/22:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.38642,4.802636802
TG(i-12:0/10:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.38643,5.722453445
TG(i-20:0/13:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.40077,4.81902808
TG(i-18:0/22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.405945,6.375283003
TG(i-13:0/20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,73.408615,4.802636802
TG(19:0/12:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.409355,4.802636802
TG(14:0/8:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,73.409744,5.722453445
TG(15:0/24:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,73.411354,8.280465752
DG(i-19:0/20:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,73.415375,5.90515621
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TG(18:0/8:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,73.42886,4.802636802
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TG(i-13:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,73.43842,4.802636802
TG(22:0/19:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,73.443306,10.90398803
TG(21:0/17:0/18:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,73.44586,8.841566741
TG(16:1(9Z)/17:0/18:0)[iso6],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCC,73.4478,7.431530952
2-Arachidonylglycerol,[H]C(CO)(CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC,73.44894,11.08036935
TG(i-24:0/22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.45149,6.375283003
TG(i-22:0/22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.45346,5.969008431
TG(22:0/21:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,73.4558,10.20911485
TG(22:0/22:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.45835,10.20911485
TG(i-24:0/17:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,73.45857,6.375283003
TG(i-20:0/15:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,73.459236,4.802636802
TG(i-20:0/8:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,73.46431,5.722453445
TG(i-14:0/13:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.468735,4.802636802
TG(13:0/10:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.4784,4.802636802
TG(i-24:0/22:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.480865,5.969008431
TG(13:0/13:0/18:1(9Z))[iso3],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCC,73.48175,7.431530952
TG(21:0/20:0/19:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.48252,8.280465752
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TG(21:0/20:0/16:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.48563,8.650314063
TG(18:0/24:0/18:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,73.48885,8.280465752
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TG(i-20:0/17:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,73.4937,4.802636802
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DG(i-19:0/16:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,73.495285,5.90515621
DG(i-18:0/19:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,73.49936,5.90515621
TG(16:1(9Z)/18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,73.501465,8.395817876
TG(i-12:0/14:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.50588,4.802636802
TG(i-12:0/12:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.51082,5.577648804
TG(22:0/16:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,73.51523,8.280465752
TG(22:0/18:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,73.51549,8.280465752
TG(24:0/14:0/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,73.51828,10.90398803
TG(22:0/17:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,73.52152,8.280465752
TG(i-24:0/16:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,73.52293,6.375283003
TG(22:0/12:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.52304,4.802636802
TG(22:0/24:0/22:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,73.528305,10.20911485
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TG(21:0/20:0/18:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.53277,8.280465752
TG(12:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.53551,4.802636802
TG(i-21:0/22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.54131,5.969008431
TG(i-24:0/20:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,73.54279,5.969008431
TG(i-12:0/8:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,73.55077,5.722453445
TG(i-20:0/13:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.55112,4.802636802
DG(i-19:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.557335,5.90515621
DG(i-20:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,73.56266,5.90515621
TG(22:0/24:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,73.56309,10.20911485
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TG(14:0/20:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,73.567444,4.802636802
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TG(18:0/24:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,73.56927,8.280465752
TG(i-24:0/22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.57273,4.841376841
TG(24:0/20:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.57546,10.90398803
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TG(i-12:0/14:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.58328,5.722453445
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TG(i-13:0/13:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.585754,5.722453445
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TG(14:0/24:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,73.60676,8.841566741
TG(i-13:0/14:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.60883,5.722453445
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TG(i-12:0/8:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,73.61396,5.722453445
TG(i-24:0/21:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,73.61443,5.969008431
TG(i-16:0/10:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.62074,5.722453445
TG(i-24:0/18:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,73.62209,5.969008431
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TG(18:0/12:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.6285,4.802636802
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TG(20:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.64172,5.057617277
TG(i-24:0/19:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,73.64627,5.969008431
DG(i-19:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,73.647675,5.90515621
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TG(14:0/8:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,73.65188,4.802636802
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TG(18:0/16:0/18:1(11Z))[iso6],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,73.65737,8.395817876
TG(24:0/15:0/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,73.66119,10.90398803
TG(22:0/12:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.66136,4.802636802
TG(10:0/13:0/i-22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.66345,4.802636802
TG(16:0/16:0/18:1(11Z))[iso3],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,73.668045,7.431530952
TG(i-12:0/8:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,73.66808,5.722453445
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DG(i-19:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,73.67493,5.90515621
TG(i-19:0/12:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.67633,5.722453445
TG(i-17:0/22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.676674,4.841376841
TG(24:0/16:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,73.68049,8.650314063
TG(18:0/18:0/18:1(11Z))[iso3],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,73.68207,8.424472064
TG(i-14:0/12:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.68263,5.722453445
TG(i-13:0/17:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,73.69093,4.802636802
DG(i-19:0/17:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,73.692764,5.90515621
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TG(i-13:0/13:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.705154,5.722453445
DG(i-20:0/21:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,73.706024,5.90515621
TG(17:0/21:0/21:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,73.70949,8.280465752
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TG(i-16:0/22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.71227,4.841376841
DG(i-20:0/22:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.71454,5.90515621
TG(i-14:0/8:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,73.72229,5.722453445
TG(i-12:0/10:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.72307,5.722453445
TG(i-20:0/10:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.72339,4.802636802
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TG(i-20:0/20:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,73.733795,4.802636802
TG(22:0/15:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,73.73459,8.650314063
TG(24:0/16:0/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,73.735565,10.20911485
TG(16:0/20:0/21:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.73609,8.650314063
DG(i-20:0/18:0/0:0),[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,73.736626,5.90515621
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TG(12:0/14:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.73816,5.722453445
TG(i-24:0/22:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.739174,5.969008431
TG(19:0/12:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.740906,4.802636802
TG(i-13:0/16:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,73.742645,4.802636802
TG(24:0/20:0/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.74532,10.20911485
TG(19:0/20:0/21:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.747795,8.280465752
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TG(15:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.75457,4.802636802
TG(12:0/14:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.759834,4.802636802
TG(16:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.760925,4.802636802
TG(18:0/17:0/21:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,73.76175,8.841566741
TG(i-14:0/14:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.76853,5.722453445
TG(i-16:0/10:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.77536,5.722453445
TG(24:0/22:0/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,73.775826,9.543279558
TG(i-12:0/12:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.77658,5.722453445
TG(18:0/15:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,73.779724,4.802636802
TG(i-13:0/12:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.78123,5.722453445
TG(i-16:0/13:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.7819,5.722453445
TG(24:0/15:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,73.785835,8.650314063
TG(i-16:0/14:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.78642,5.722453445
TG(22:0/20:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.79041,10.90398803
TG(24:0/18:0/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,73.79224,10.20911485
TG(i-22:0/10:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,73.79359,4.802636802
TG(12:0/12:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,73.79873,4.802636802
TG(18:0/20:0/21:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,73.79924,8.280465752
TG(20:0/24:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,73.803856,10.90398803
TG(i-13:0/18:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,73.804474,4.802636802
TG(17:0/14:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,73.806625,4.802636802
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TG(21:0/19:0/i-21:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,73.81929,4.841376841
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TG(i-16:0/13:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,73.96857,4.802636802
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TG(18:0/14:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,74.16966,4.802636802
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TG(i-13:0/17:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,74.23646,4.802636802
TG(18:0/14:0/16:1(9Z))[iso6],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,74.237076,7.431530952
TG(i-20:0/18:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,74.24453,4.802636802
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TG(18:0/14:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,74.286224,4.802636802
TG(21:0/22:0/20:0),CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC,74.30308,10.90398803
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TG(10:0/14:0/i-22:0),[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,74.304565,4.802636802
TG(i-16:0/13:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,74.31541,4.802636802
TG(i-15:0/10:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,74.31904,5.722453445
TG(18:0/14:0/18:1(11Z))[iso6],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,74.3235,7.431530952
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TG(16:0/16:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,74.33128,7.431530952
TG(21:0/i-17:0/20:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,74.34481,5.057617277
TG(i-13:0/16:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,74.345375,4.802636802
TG(8:0/13:0/i-18:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,74.35049,5.722453445
TG(i-20:0/10:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,74.35341,4.802636802
TG(8:0/12:0/i-19:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,74.35384,5.722453445
TG(12:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,74.35478,4.802636802
TG(19:0/14:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,74.362076,4.802636802
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TG(19:0/14:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,74.37243,4.802636802
TG(13:0/8:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,74.37385,5.722453445
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TG(18:0/24:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,74.38927,8.280465752
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TG(i-20:0/8:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,74.41791,5.722453445
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TG(14:0/20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,74.424416,4.802636802
TG(i-16:0/18:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,74.42619,4.802636802
TG(22:0/12:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,74.42704,4.81902808
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DG(24:0/0:0/20:5n3),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,75.23356,7.84521997
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TG(22:0/19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,75.24631,8.280465752
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TG(16:0/10:0/14:0),CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC,75.31329,8.854842186
TG(i-13:0/19:0/i-21:0),CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C,75.313515,4.410247877
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TG(19:0/22:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,75.34521,8.280465752
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TG(13:0/18:0/20:1(11Z))[iso6],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,75.359436,7.431530952
TG(20:0/18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,75.36072,10.90398803
TG(i-15:0/15:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,75.366684,4.802636802
TG(i-18:0/10:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,75.36675,5.722453445
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TG(13:0/15:0/16:1(9Z))[iso6],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,75.37487,7.431530952
TG(22:0/18:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,75.378075,8.650314063
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TG(i-15:0/10:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,75.39936,4.802636802
TG(20:3n6/18:0/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,75.40269,7.53634572
TG(15:0/12:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,75.40724,4.802636802
TG(i-12:0/21:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,75.40797,4.802636802
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TG(i-12:0/12:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,75.42435,5.722453445
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TG(21:0/22:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,75.42717,8.280465752
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TG(16:0/20:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,75.43453,8.395817876
TG(22:0/22:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,75.442215,10.20911485
TG(22:0/18:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,75.442955,10.20911485
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TG(i-15:0/14:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,75.44625,4.802636802
TG(16:0/14:0/12:0),CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC,75.4485,8.854842186
TG(21:0/a-25:0/i-14:0)[rac],CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,75.45161,4.445823282
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TG(20:0/12:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,75.461136,4.81902808
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TG(19:0/19:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,75.46716,8.841566741
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TG(i-12:0/18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,75.481544,4.802636802
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TG(19:0/22:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,75.806404,8.841566741
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TG(i-22:0/10:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,75.839325,4.802636802
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TG(i-13:0/17:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,75.95122,4.802636802
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TG(i-15:0/18:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,76.00238,4.802636802
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TG(i-18:0/10:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,76.006805,5.722453445
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TG(i-15:0/14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,76.02198,4.802636802
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TG(i-12:0/15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,76.0337,5.722453445
TG(i-13:0/16:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,76.036995,4.802636802
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TG(15:0/18:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,76.047325,8.424472064
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TG(i-13:0/15:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,76.05589,4.802636802
TG(22:0/18:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,76.05615,8.841566741
TG(18:0/16:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,76.06211,8.395817876
TG(16:1(9Z)/18:0/18:0)[iso3],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,76.07874,8.395817876
TG(21:0/i-18:0/a-21:0)[rac],CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,76.0812,4.445823282
TG(22:0/20:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,76.0823,8.280465752
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TG(i-22:0/20:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,76.08939,4.81902808
TG(21:0/19:0/a-13:0)[rac],CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,76.091515,4.81902808
TG(i-14:0/10:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,76.09152,5.722453445
TG(15:0/a-17:0/i-19:0)[rac],CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,76.09242,4.410247877
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TG(20:0/19:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,76.09528,8.841566741
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TG(19:0/17:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,76.09872,8.395817876
TG(22:0/14:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,76.10153,8.424472064
TG(i-16:0/8:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,76.104805,5.722453445
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TG(15:0/16:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,76.11165,7.431530952
TG(i-13:0/20:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,76.11805,4.802636802
TG(12:0/20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,76.12134,4.802636802
TG(i-14:0/10:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,76.122444,5.722453445
TG(20:2n6/22:1(13Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,76.125786,7.313644141
TG(16:0/14:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,76.12617,7.431530952
TG(i-22:0/21:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,76.1275,5.057617277
TG(i-16:0/13:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,76.13108,5.722453445
TG(16:0/12:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,76.136185,4.802636802
TG(a-13:0/19:0/21:0)[rac],CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,76.142685,4.81902808
TG(i-13:0/18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,76.14529,4.802636802
TG(20:2n6/20:1(11Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,76.16199,7.640308142
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TG(i-18:0/19:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,76.16505,4.802636802
TG(i-22:0/13:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,76.16594,4.802636802
TG(i-12:0/12:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,76.16763,5.722453445
TG(20:0/15:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,76.16925,8.280465752
TG(i-18:0/15:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,76.17114,4.802636802
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TG(i-13:0/21:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,76.17415,4.81902808
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TG(18:0/24:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,76.18704,10.90398803
TG(14:0/20:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,76.1894,8.395817876
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TG(14:0/24:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,76.218506,8.650314063
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TG(13:0/16:0/20:1(11Z))[iso6],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,76.225815,7.431530952
TG(22:0/15:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,76.2263,8.280465752
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DG(16:1n7/0:0/20:3n9),[H][C@@](O)(COC(=O)CCCCC\C=C/CCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,76.23767,7.84521997
TG(i-15:0/13:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,76.24314,5.722453445
DG(16:1n7/0:0/18:3n6),[H][C@@](O)(COC(=O)CCCCC\C=C/CCCCCCCC)COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,76.24627,7.84521997
TG(20:2n6/24:1(15Z)/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,76.25017,7.313644141
TG(i-15:0/17:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,76.25035,4.802636802
TG(i-12:0/15:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,76.25225,5.722453445
TG(i-15:0/8:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,76.25835,5.722453445
TG(20:0/14:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,76.26082,8.395817876
TG(i-15:0/14:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,76.27288,4.802636802
TG(14:0/22:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,76.27529,8.395817876
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TG(12:0/15:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,76.28542,4.802636802
TG(i-13:0/22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,76.28875,4.802636802
TG(i-12:0/15:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,76.29423,5.722453445
TG(19:0/21:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,76.29824,8.650314063
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TG(i-15:0/16:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,76.3014,4.802636802
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TG(18:0/8:0/a-13:0)[rac],CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,76.3049,5.722453445
TG(i-15:0/20:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,76.30521,4.81902808
TG(22:0/18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,76.30751,8.280465752
TG(21:0/20:0/i-16:0),CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,76.30868,5.057617277
TG(i-22:0/8:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,76.31032,4.802636802
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TG(i-15:0/14:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,76.31355,5.722453445
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TG(22:0/16:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,76.31966,8.650314063
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TG(i-13:0/19:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,76.32664,4.802636802
TG(14:0/16:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,76.33898,7.431530952
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TG(15:0/22:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,76.342804,8.280465752
TG(14:0/15:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,76.345314,7.431530952
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TG(i-16:0/13:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,78.000595,5.722453445
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DG(24:1n9/0:0/20:3n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,78.04002,7.84521997
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DG(18:1n7/0:0/18:3n3),[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,78.05366,7.84521997
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TG(i-13:0/15:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,78.10284,4.802636802
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TG(i-13:0/17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,78.131546,4.802636802
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TG(i-12:0/13:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,78.137436,5.722453445
TG(i-24:0/13:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,78.13963,4.802636802
DG(22:1n9/0:0/18:3n3),[H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,78.1407,7.84521997
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TG(i-22:0/13:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,78.15677,5.057617277
TG(20:0/21:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,78.15902,8.650314063
TG(i-13:0/18:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,78.15911,4.802636802
TG(14:0/20:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,78.162796,8.395817876
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TG(21:0/19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,78.172966,8.424472064
TG(i-18:0/13:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,78.17343,4.802636802
TG(14:0/15:0/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,78.18292,8.395817876
TG(i-15:0/10:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,78.18395,5.722453445
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TG(i-17:0/13:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,78.19703,4.802636802
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TG(21:0/20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,78.20058,8.650314063
TG(i-13:0/19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,78.20764,4.802636802
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TG(20:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,78.22398,8.395817876
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TG(16:0/14:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,78.22876,7.431530952
TG(14:0/16:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,78.22983,7.431530952
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TG(22:0/14:0/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,78.25247,8.650314063
TG(16:0/19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,78.25543,7.431530952
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DG(20:1n9/0:0/18:3n3),[H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,78.26642,7.84521997
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TG(14:0/15:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC,78.27144,7.431530952
TG(21:0/15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,78.27208,8.395817876
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TG(i-21:0/10:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,78.2913,4.802636802
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TG(i-24:0/15:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,78.31467,4.802636802
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DG(24:0/0:0/22:5n6),[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC,78.333046,6.877754629
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TG(i-16:0/18:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,78.38338,4.81902808
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TG(i-13:0/10:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,78.43377,5.722453445
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TG(i-15:0/22:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,78.439735,5.057617277
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TG(i-13:0/13:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,78.49337,4.802636802
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TG(17:0/15:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,78.50014,7.431530952
TG(14:0/15:0/20:1(11Z))[iso6],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,78.50833,7.431530952
TG(i-17:0/22:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,78.51273,4.802636802
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TG(i-22:0/8:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,78.51424,4.802636802
DG(24:1n9/0:0/18:3n3),[H][C@@](O)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,78.52356,7.84521997
TG(14:0/14:0/18:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,78.523605,7.431530952
TG(i-15:0/8:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,78.530525,5.722453445
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TG(i-15:0/14:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,78.53536,5.722453445
TG(i-15:0/13:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,78.54538,4.802636802
TG(i-24:0/20:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,78.54982,5.057617277
TG(18:0/16:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,78.55037,7.431530952
TG(i-24:0/17:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,78.55173,4.81902808
TG(i-15:0/21:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,78.55858,4.81902808
TG(i-15:0/8:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,78.573654,5.722453445
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TG(i-21:0/8:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,78.58667,4.802636802
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TG(i-15:0/10:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,78.59738,4.802636802
TG(i-19:0/20:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,78.600235,4.802636802
TG(20:0/20:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,78.60069,8.280465752
TG(15:0/14:0/20:1(11Z)),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC,78.60479,7.431530952
TG(20:0/15:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,78.605576,8.424472064
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TG(18:0/21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,78.610466,8.424472064
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TG(i-15:0/18:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,78.620514,4.802636802
TG(i-19:0/8:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,78.62609,5.722453445
TG(i-15:0/19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,78.627235,4.802636802
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TG(i-14:0/15:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,78.63331,4.802636802
TG(i-15:0/16:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,78.634514,4.802636802
TG(21:0/16:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,78.651405,8.395817876
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TG(i-16:0/21:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,78.677475,5.057617277
TG(i-18:0/8:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,78.67816,4.802636802
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TG(i-14:0/16:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,78.685974,4.802636802
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TG(16:0/18:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,78.68992,7.431530952
TG(i-20:0/8:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,78.69479,4.802636802
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TG(i-18:0/8:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,79.0695,5.722453445
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TG(i-14:0/13:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,79.08524,5.722453445
TG(i-22:0/10:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,79.097115,4.802636802
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TG(i-19:0/10:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,79.100075,4.802636802
TG(19:0/19:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,79.10253,7.431530952
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TG(17:0/18:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,79.12627,7.431530952
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TG(i-14:0/19:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,79.16163,4.81902808
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TG(i-18:0/13:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,79.172,5.722453445
DG(14:1n5/0:0/18:4n3),[H][C@](O)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/CCCCCCCC,79.17648,7.96405822
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TG(16:0/21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,79.19415,8.395817876
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TG(21:0/21:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC,79.19796,10.90398803
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TG(19:0/16:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,79.23257,7.431530952
TG(i-24:0/21:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,79.23435,5.057617277
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TG(20:1(11Z)/20:3n6/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,79.23567,7.640308142
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TG(i-19:0/16:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,79.24926,4.802636802
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TG(19:0/18:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,79.259995,7.431530952
TG(i-16:0/22:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,79.2612,4.841376841
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TG(20:0/19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC,79.28221,8.424472064
TG(19:0/20:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,79.28427,8.424472064
TG(24:1(15Z)/20:3n6/O-18:0),[H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,79.289825,7.313644141
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TG(i-18:0/13:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,79.2984,4.802636802
DG(14:1n5/0:0/20:4n3),[H][C@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/CCCCCCCC,79.30161,7.84521997
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TG(i-20:0/10:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,79.30551,4.802636802
TG(19:0/15:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC,79.30677,8.395817876
TG(i-20:0/20:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,79.30736,4.841376841
TG(i-21:0/17:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,79.30976,4.802636802
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TG(i-15:0/i-14:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,88.05428,4.134249315
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TG(21:0/i-13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,88.07371,4.410247877
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TG(15:0/i-13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,88.096306,5.254913494
TG(i-22:0/i-24:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,88.09746,4.045888036
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TG(20:0/i-19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,100.435936,4.410247877
TG(20:0/i-12:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,100.43857,4.644396156
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TG(8:0/i-18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,100.44356,5.254913494
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TG(18:0/i-19:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,100.478386,4.81902808
TG(21:0/i-24:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,100.48558,5.057617277
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TG(17:0/a-25:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,100.494415,4.425300285
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TG(22:0/a-13:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,100.51302,4.425300285
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TG(12:0/i-22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,100.52883,4.410247877
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TG(13:0/i-13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,100.52961,4.410247877
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TG(21:0/a-15:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,100.53539,4.644396156
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TG(a-25:0/8:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,100.54592,5.722453445
TG(14:0/a-25:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,100.54865,5.85440509
TG(a-25:0/8:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,100.5492,4.802636802
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TG(20:0/i-21:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,100.55057,4.841376841
TG(22:0/a-25:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,100.55069,5.057617277
TG(10:0/i-21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,100.55277,4.410247877
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TG(14:0/i-18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,100.56325,4.410247877
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TG(21:0/i-17:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C,100.57803,4.81902808
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TG(12:0/i-18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,103.98572,4.410247877
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TG(18:0/i-13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,103.99645,4.410247877
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TG(21:0/a-17:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,104.00307,4.445823282
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TG(10:0/i-15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,104.008675,4.410247877
TG(16:0/i-19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,104.01059,4.644396156
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TG(13:0/i-24:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,104.02283,4.410247877
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TG(17:0/i-13:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,104.024704,4.802636802
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TG(21:0/i-19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,104.02576,4.841376841
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TG(12:0/i-19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,104.03758,4.410247877
TG(21:0/i-13:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,104.04133,4.802636802
TG(22:0/i-19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C,104.04492,4.841376841
TG(16:0/18:1(11Z)/20:3n6),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,104.04528,8.434397727
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TG(15:0/a-25:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,104.055595,5.85440509
TG(21:0/i-24:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,104.057045,5.969008431
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TG(a-13:0/17:0/10:0)[rac],[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,104.06145,5.722453445
TG(22:0/a-13:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,104.06463,4.802636802
TG(12:0/i-20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,104.068596,4.644396156
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TG(21:0/a-13:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC,104.078804,4.802636802
TG(8:0/i-15:0/i-13:0),[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,104.078835,5.254913494
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TG(19:0/i-21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,104.08375,5.057617277
TG(a-13:0/16:0/10:0)[rac],[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,104.084526,5.722453445
TG(22:0/a-21:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,104.09027,5.85440509
TG(16:0/i-13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,104.09056,5.254913494
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TG(19:0/i-21:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,104.10836,5.057617277
TG(22:0/i-24:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,104.111015,5.969008431
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TG(21:0/i-14:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,104.1171,4.425300285
TG(14:0/a-15:0/10:0)[rac],[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC,104.12435,5.722453445
TG(12:0/i-18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,104.130615,4.410247877
TG(15:0/i-13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,104.13119,5.254913494
TG(12:0/i-18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,104.135796,4.425300285
TG(21:0/i-17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,104.13684,4.410247877
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TG(19:0/i-21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,104.15352,4.81902808
TG(12:0/i-22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,104.15444,4.425300285
TG(17:0/i-18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,104.155685,4.644396156
TG(17:0/i-13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,104.15724,5.254913494
TG(12:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,104.15823,4.425300285
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TG(12:0/i-19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,104.16325,4.410247877
TG(a-13:0/10:0/10:0)[rac],[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,104.171295,5.577648804
TG(12:0/i-24:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,104.173004,4.644396156
TG(13:0/i-21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,104.17307,4.410247877
TG(21:0/i-17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,104.17325,4.425300285
TG(15:0/a-21:0/i-24:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,104.17776,4.445823282
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TG(12:0/i-18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,104.18005,4.410247877
TG(21:0/i-19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,104.18196,4.425300285
TG(12:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,104.18224,4.410247877
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TG(19:0/i-13:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C,104.192566,4.802636802
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TG(15:0/18:1(11Z)/20:3n6),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,104.2111,8.405709267
TG(12:0/i-20:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,104.21516,4.425300285
TG(10:0/a-25:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,104.22624,4.410247877
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TG(13:0/i-13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,104.22833,5.254913494
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TG(15:0/a-25:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,105.62419,4.445823282
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TG(14:0/i-19:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,105.635574,4.410247877
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TG(20:0/i-15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,105.64809,4.644396156
TG(22:0/22:0/10:0),[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,105.65457,8.424472064
TG(a-25:0/10:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,105.6621,4.802636802
TG(22:0/i-20:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,105.66312,5.481324345
TG(21:0/i-13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,105.66593,4.425300285
TG(a-25:0/8:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,105.67599,4.802636802
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TG(16:0/i-22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,105.690956,4.410247877
TG(a-13:0/13:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,105.69204,4.802636802
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TG(21:0/i-15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,105.723885,4.644396156
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TG(21:0/i-22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,105.725044,4.644396156
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TG(a-17:0/10:0/10:0)[rac],[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,105.74814,5.722453445
TG(22:0/i-19:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,105.756004,5.85440509
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TG(22:0/i-18:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,105.76305,5.85440509
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TG(a-13:0/21:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,105.80314,4.802636802
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TG(a-25:0/14:0/10:0)[rac],[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,105.80737,4.802636802
TG(17:0/a-25:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,105.809906,5.481324345
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TG(22:0/a-25:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,109.61783,5.969008431
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TG(i-13:0/19:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,109.632645,4.410247877
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TG(21:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,110.910995,4.445823282
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TG(a-21:0/10:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,110.93234,4.802636802
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TG(i-12:0/13:0/i-15:0),[H][C@@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,112.0758,5.254913494
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TG(i-17:0/20:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,112.12193,4.644396156
TG(16:1(9Z)/20:3n6/20:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,112.122,9.425200522
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TG(21:0/a-25:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,112.131996,5.481324345
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TG(13:0/a-25:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,112.13456,4.644396156
TG(i-12:0/13:0/i-13:0),[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,112.13497,5.254913494
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TG(i-14:0/13:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,112.13774,4.410247877
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TG(i-13:0/8:0/i-14:0),[H][C@@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,112.15642,5.254913494
TG(19:0/i-17:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.15898,4.644396156
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TG(20:0/i-19:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,112.16521,4.445823282
TG(i-14:0/8:0/i-15:0),[H][C@@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,112.16872,5.254913494
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TG(a-15:0/13:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,112.18102,4.802636802
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TG(i-13:0/12:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,112.187294,4.410247877
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TG(a-13:0/12:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,112.1924,5.722453445
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TG(19:0/i-22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,112.21526,5.85440509
TG(20:0/i-21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.21579,5.85440509
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TG(15:0/i-17:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.23046,4.425300285
TG(19:0/i-21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.23792,4.445823282
TG(20:0/i-18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,112.23811,4.425300285
TG(a-13:0/14:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,112.23923,5.722453445
TG(a-17:0/8:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,112.23967,4.802636802
TG(22:0/i-21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.24033,5.85440509
TG(19:0/i-21:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.24044,5.481324345
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TG(i-20:0/13:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,112.24355,4.425300285
TG(15:0/a-15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,112.24429,4.410247877
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TG(10:0/a-21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,112.26034,4.425300285
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TG(8:0/a-15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,112.282814,5.254913494
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TG(19:0/i-19:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,112.296555,4.445823282
TG(i-22:0/13:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,112.30071,4.445823282
TG(15:0/a-17:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,112.30089,4.802636802
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TG(15:0/i-19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,112.31438,4.410247877
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TG(22:0/i-24:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,112.32578,5.123833567
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TG(18:0/i-22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,112.327484,4.644396156
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TG(15:0/i-18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,112.32946,4.410247877
TG(19:0/i-21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.331856,5.85440509
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TG(15:0/a-21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,112.33562,4.410247877
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TG(a-17:0/8:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,112.35969,5.722453445
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TG(8:0/a-21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,112.36696,4.644396156
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TG(22:0/i-21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.37222,5.481324345
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TG(21:0/i-19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,112.37936,4.445823282
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TG(15:0/i-17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.479485,4.410247877
TG(20:2n6/O-18:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,112.48119,8.520746976
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TG(22:0/a-25:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,112.48777,5.481324345
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TG(i-15:0/15:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,112.4968,4.410247877
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TG(13:0/a-13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,112.516914,5.254913494
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TG(21:0/i-20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,112.51767,4.445823282
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TG(21:0/a-17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,112.52706,4.425300285
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TG(19:0/i-18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,112.53404,4.425300285
TG(a-13:0/21:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,112.5369,4.802636802
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TG(18:0/i-17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.54263,4.644396156
TG(15:0/a-13:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,112.54862,4.410247877
TG(i-19:0/13:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,112.54888,4.425300285
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TG(a-21:0/12:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,112.55229,5.722453445
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TG(19:0/i-17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.5611,4.425300285
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TG(i-12:0/13:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,112.56294,4.410247877
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TG(18:0/i-19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,112.58682,4.425300285
TG(i-18:0/20:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,112.591095,4.445823282
TG(8:0/a-17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,112.59233,5.254913494
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TG(15:0/i-21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.60292,4.644396156
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TG(16:1(9Z)/20:3n6/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,112.60659,8.980572969
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TG(19:0/i-20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,112.61906,4.644396156
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TG(18:0/i-21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.63132,4.644396156
TG(22:0/i-21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.631386,5.481324345
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TG(20:0/i-22:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,112.641014,5.481324345
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TG(a-17:0/19:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,112.67597,4.802636802
TG(13:0/a-15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,112.67699,5.254913494
TG(20:0/i-17:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.678246,4.445823282
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TG(20:0/i-24:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,112.68123,5.481324345
TG(i-14:0/18:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,112.6897,4.410247877
TG(8:0/a-15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,112.69153,5.254913494
TG(i-20:0/16:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,112.69623,4.644396156
TG(i-13:0/8:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,112.69753,5.254913494
TG(a-15:0/10:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,112.70038,5.722453445
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TG(i-21:0/17:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,112.703026,5.85440509
TG(21:0/i-13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,112.70508,4.445823282
TG(15:0/i-18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,112.70609,4.425300285
TG(18:0/a-13:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,112.70828,4.410247877
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TG(20:0/i-18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,112.71473,5.85440509
TG(18:0/i-18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,112.71559,4.425300285
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TG(15:0/i-18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,112.72565,4.410247877
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TG(19:0/a-15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,112.73342,4.445823282
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TG(16:0/i-17:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.743324,4.410247877
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TG(13:0/a-21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,112.75213,4.445823282
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TG(15:0/a-17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,112.76184,4.410247877
TG(19:0/a-25:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,112.76792,4.445823282
TG(22:0/i-22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,112.77187,5.481324345
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TG(21:0/i-22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,112.85172,5.481324345
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TG(a-13:0/16:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,112.88148,5.722453445
TG(18:0/i-17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.88643,4.425300285
TG(a-25:0/10:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,112.88813,4.802636802
TG(i-12:0/13:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,112.88948,4.410247877
TG(17:0/i-17:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,112.89322,4.425300285
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TG(18:0/a-15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,112.897804,4.410247877
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TG(20:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,112.90247,5.85440509
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TG(a-13:0/12:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,112.90863,5.722453445
TG(i-19:0/22:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,112.908676,5.481324345
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TG(16:0/i-21:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,112.91608,4.410247877
TG(8:0/a-17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,112.91809,4.410247877
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TG(a-13:0/12:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,112.92912,5.722453445
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TG(18:0/i-20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,112.93184,4.425300285
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TG(17:0/a-15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,112.94571,4.445823282
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TG(i-15:0/22:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,112.94857,4.410247877
TG(a-17:0/13:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,112.949196,4.802636802
TG(15:0/i-22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,112.950066,4.644396156
TG(15:0/i-18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,112.951614,4.425300285
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TG(15:0/i-19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,112.96933,4.410247877
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TG(16:0/a-25:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,112.98141,4.644396156
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TG(i-15:0/8:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,112.98509,5.254913494
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TG(21:0/a-17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,112.998024,4.644396156
TG(20:0/a-25:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,113.00797,5.85440509
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TG(17:0/i-21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,113.01412,4.445823282
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TG(22:0/i-22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,113.02369,5.85440509
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TG(i-18:0/13:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,113.02924,4.410247877
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TG(a-21:0/12:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,113.04156,4.81902808
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TG(20:0/i-19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,113.0494,5.85440509
TG(15:0/i-20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,113.05101,4.410247877
TG(a-17:0/13:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,113.05158,4.802636802
TG(22:0/i-18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,113.05277,5.85440509
TG(22:0/i-24:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,113.05286,5.481324345
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TG(i-14:0/18:0/i-15:0),[H][C@@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,113.061264,4.410247877
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TG(20:0/i-20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,113.06897,5.481324345
TG(15:0/i-22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,113.07072,4.644396156
TG(a-13:0/20:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,113.07265,4.802636802
TG(19:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,113.07328,4.445823282
TG(i-14:0/16:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,113.07359,4.410247877
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TG(18:0/i-21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,113.07985,4.445823282
TG(8:0/a-21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,113.079895,4.410247877
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TG(15:0/i-19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,113.0864,4.644396156
TG(i-14:0/8:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,113.08731,4.410247877
TG(a-17:0/13:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,113.08959,4.802636802
TG(i-15:0/21:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,113.099884,4.410247877
TG(18:0/i-22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,113.10135,4.644396156
TG(20:0/i-20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,113.10291,4.445823282
TG(22:0/a-25:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,113.10393,5.481324345
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TG(15:0/i-22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,113.116646,4.445823282
TG(16:0/i-17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,113.119675,4.410247877
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TG(16:0/i-21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,113.124664,4.644396156
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TG(22:0/a-17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,113.13135,5.481324345
TG(20:0/i-18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,113.1321,4.445823282
TG(i-16:0/13:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,113.13783,4.410247877
TG(a-15:0/13:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,113.14445,4.802636802
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TG(15:0/i-21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,113.153854,4.425300285
TG(14:0/a-25:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,113.15526,5.481324345
TG(20:0/a-15:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,113.15801,5.85440509
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TG(22:0/i-22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,113.681564,5.85440509
TG(i-17:0/19:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,113.69151,4.445823282
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TG(20:0/i-19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,113.72608,4.445823282
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TG(15:0/i-20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,113.73848,4.425300285
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TG(22:0/i-20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,114.14373,5.85440509
TG(20:0/i-18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,114.14947,4.445823282
TG(i-15:0/16:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,114.14988,4.410247877
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TG(18:0/i-24:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,114.15863,5.481324345
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TG(i-13:0/10:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,114.18638,4.410247877
TG(i-17:0/18:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,114.195786,4.445823282
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TG(15:0/i-24:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,114.2381,4.445823282
TG(i-20:0/19:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,114.24,5.85440509
TG(13:0/a-25:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,114.24144,5.481324345
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TG(a-15:0/12:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,114.24705,4.802636802
TG(i-18:0/i-21:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,114.24747,5.138296261
TG(a-25:0/13:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,114.24857,4.802636802
TG(17:0/a-25:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,114.250084,5.481324345
TG(21:0/a-25:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,114.25293,5.481324345
TG(i-22:0/i-21:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,114.254326,4.328170419
TG(i-22:0/i-24:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,114.25596,4.045888036
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TG(i-19:0/i-22:0/a-25:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,114.25659,5.138296261
TG(i-21:0/i-22:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,114.2652,4.328170419
TG(16:0/a-15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,114.265465,4.410247877
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TG(20:0/a-25:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,114.274574,5.123833567
TG(i-19:0/i-18:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,114.276024,5.488029122
TG(20:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,114.27933,4.644396156
TG(22:0/i-24:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,114.27958,5.481324345
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TG(8:0/a-25:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,114.28257,4.445823282
TG(a-21:0/22:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,114.286835,5.057617277
TG(17:0/i-20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,114.29107,4.425300285
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TG(19:0/a-25:0/a-25:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,114.29816,5.123833567
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TG(i-14:0/20:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,114.32952,4.425300285
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TG(18:0/i-22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,114.41398,4.445823282
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TG(i-19:0/i-21:0/a-25:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,114.41842,5.138296261
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TG(i-13:0/15:0/i-14:0),[H][C@@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,114.430664,5.254913494
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TG(i-22:0/18:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,114.43555,5.481324345
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TG(18:0/i-21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,114.438995,4.445823282
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TG(19:0/i-20:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,114.441696,5.85440509
TG(a-21:0/10:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,114.4456,4.802636802
TG(20:0/i-19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,114.447655,4.644396156
TG(16:0/16:1(9Z)/18:0)[iso6],CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,114.44995,7.431530952
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TG(i-12:0/16:0/i-15:0),[H][C@@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,114.451866,5.254913494
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TG(19:0/a-25:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,114.58739,5.481324345
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TG(a-25:0/12:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,114.59453,4.81902808
TG(a-15:0/12:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,114.600975,5.722453445
TG(i-14:0/16:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,114.60277,4.425300285
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TG(i-21:0/i-21:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,114.62302,4.328170419
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TG(a-15:0/12:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,114.87392,5.722453445
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TG(i-20:0/i-18:0/a-25:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,114.904396,5.138296261
TG(19:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,114.90714,4.644396156
TG(20:0/i-20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,114.90966,4.445823282
TG(i-12:0/19:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,114.9115,4.410247877
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TG(i-19:0/i-21:0/a-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,114.95314,5.488029122
TG(i-13:0/17:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,114.9538,4.410247877
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TG(i-19:0/i-24:0/a-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,114.9656,5.138296261
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TG(22:0/a-17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,114.976204,5.85440509
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TG(a-17:0/10:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,114.9807,5.722453445
TG(15:0/18:0/18:1(9Z)),CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,114.98107,7.431530952
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TG(15:0/16:0/20:1(11Z)),CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,114.98428,7.431530952
TG(15:0/i-21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,114.98662,4.425300285
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TG(22:0/a-21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,115.01026,5.481324345
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TG(20:0/a-17:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,115.01225,4.644396156
TG(a-15:0/13:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,115.01267,5.722453445
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TG(16:0/18:0/20:1(11Z))[iso6],CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCCCC,115.01641,8.424472064
TG(a-15:0/12:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,115.016846,4.802636802
TG(19:0/i-20:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,115.018616,4.445823282
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TG(a-15:0/12:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,115.13608,5.722453445
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TG(i-13:0/20:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,115.35296,4.410247877
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TG(15:0/16:1(9Z)/15:0),[H]C(COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,115.4351,7.431530952
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TG(20:0/16:1(9Z)/20:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,115.435616,8.841566741
TG(19:0/i-19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,115.43586,4.644396156
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TG(18:0/i-24:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,115.44766,4.445823282
TG(i-12:0/15:0/i-15:0),[H][C@@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,115.44802,5.254913494
TG(i-12:0/17:0/i-13:0),[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,115.46128,5.254913494
TG(18:0/i-21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,115.46304,4.644396156
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TG(16:0/16:1(9Z)/16:0),[H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,115.47622,7.431530952
TG(i-14:0/14:0/i-15:0),[H][C@@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,115.477066,5.254913494
TG(i-12:0/22:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,115.477425,4.644396156
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TG(a-15:0/21:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,115.549446,4.802636802
TG(15:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,115.557655,4.410247877
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TG(i-17:0/17:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,115.57222,4.644396156
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TG(i-22:0/17:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,115.60046,5.85440509
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TG(i-15:0/14:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,115.61605,4.410247877
TG(i-21:0/17:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,115.61738,4.445823282
TG(i-12:0/16:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,115.62108,4.410247877
TG(18:0/i-22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,115.621346,4.445823282
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TG(i-21:0/i-16:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,115.62468,5.488029122
TG(i-12:0/10:0/i-13:0),[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,115.62757,5.254913494
TG(i-13:0/15:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,115.62823,4.410247877
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TG(16:0/i-24:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,115.64467,4.445823282
TG(17:0/i-24:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,115.64965,4.445823282
TG(a-15:0/22:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,115.65417,4.802636802
TG(a-15:0/12:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,115.65531,4.802636802
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TG(24:0/18:1(11Z)/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,115.67207,10.20911485
TG(18:0/a-15:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,115.67902,4.410247877
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TG(i-12:0/19:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,115.68008,4.425300285
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TG(16:0/i-22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,115.685684,4.445823282
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TG(19:0/a-21:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,115.686775,5.85440509
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TG(a-15:0/15:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,115.68796,4.802636802
TG(a-15:0/19:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,115.68863,4.81902808
TG(i-16:0/i-21:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,115.69022,5.488029122
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TG(14:0/a-17:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC,115.716324,4.802636802
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TG(a-15:0/16:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,115.74747,4.802636802
TG(a-25:0/15:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,115.74888,4.81902808
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TG(i-12:0/15:0/i-13:0),[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,115.783,5.254913494
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TG(i-16:0/13:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,115.791855,4.410247877
TG(a-17:0/15:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,115.79198,4.81902808
TG(i-19:0/15:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,115.79225,4.644396156
TG(a-15:0/17:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,115.79452,4.802636802
TG(a-15:0/15:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,115.794815,4.802636802
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TG(i-19:0/i-17:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,115.80779,4.353744537
TG(19:0/i-18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,115.80914,4.644396156
TG(20:0/a-21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,115.809654,4.445823282
TG(i-14:0/19:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,115.81189,4.410247877
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TG(i-14:0/22:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,115.81449,4.410247877
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TG(i-14:0/22:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,115.82213,4.644396156
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TG(i-18:0/20:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,115.82787,5.85440509
TG(19:0/a-15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,115.83364,4.644396156
TG(i-14:0/13:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,115.83476,4.410247877
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TG(i-16:0/17:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,115.837555,4.425300285
TG(i-19:0/22:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,115.843735,5.85440509
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TG(19:0/i-21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,115.84976,4.644396156
TG(i-16:0/13:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,115.85118,4.410247877
TG(i-17:0/14:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,115.86163,4.410247877
TG(24:0/18:1(9Z)/24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,115.86258,10.20911485
TG(i-12:0/20:0/i-13:0),[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,115.86379,4.410247877
TG(20:0/a-17:0/a-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,115.8658,4.445823282
TG(i-17:0/i-21:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,115.866646,4.167598113
TG(i-13:0/15:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,115.86709,4.410247877
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TG(18:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,115.872246,4.644396156
TG(a-17:0/13:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,115.87321,4.802636802
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TG(a-25:0/14:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,115.87998,4.81902808
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TG(14:0/a-17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,115.89618,4.410247877
TG(i-14:0/12:0/i-15:0),[H][C@@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,115.8969,5.254913494
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TG(i-19:0/i-15:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,115.89999,4.167598113
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TG(i-17:0/i-19:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,115.90198,4.353744537
TG(16:0/a-21:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,115.90297,4.445823282
TG(i-14:0/21:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,115.90446,4.644396156
TG(a-15:0/16:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,115.90455,4.802636802
TG(18:0/i-20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,115.908966,4.644396156
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TG(i-18:0/i-15:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,115.91963,4.167598113
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TG(i-17:0/i-24:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,115.92594,5.488029122
TG(i-19:0/21:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,115.92641,5.85440509
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TG(17:0/i-21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,116.526855,4.644396156
TG(17:0/i-18:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,116.52705,4.445823282
TG(17:0/i-22:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,116.5299,5.85440509
TG(16:0/i-18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,116.531624,4.425300285
TG(17:0/i-19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,116.53226,4.644396156
TG(a-25:0/i-24:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,116.53358,4.045888036
TG(a-17:0/20:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,116.5336,5.057617277
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TG(i-19:0/17:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,116.53594,4.644396156
TG(17:0/i-22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,116.5505,4.644396156
TG(17:0/i-18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,116.550514,4.425300285
TG(a-17:0/12:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,116.55165,4.802636802
TG(a-25:0/15:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,116.55235,4.841376841
"TG(16:1(9Z)/O-18:0/18:3(9Z,12Z,15Z))",[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OCCCCCCCCCCCCCCCCCC,116.55402,7.414897531
TG(i-17:0/20:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,116.5547,4.445823282
TG(18:0/a-17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,116.55483,4.644396156
TG(17:0/i-20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,116.55855,4.425300285
TG(a-15:0/15:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,116.5589,4.802636802
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TG(17:0/i-21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,116.56356,4.425300285
TG(16:0/18:0/18:1(9Z))[iso6],CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC,116.5639,8.395817876
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TG(i-12:0/19:0/i-14:0),[H][C@@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,116.564835,4.410247877
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TG(16:0/i-24:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,116.565544,4.445823282
TG(a-17:0/20:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,116.56602,4.841376841
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TG(i-13:0/i-15:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,116.569,4.148359224
TG(a-17:0/18:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,116.570984,5.057617277
TG(i-15:0/i-13:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,116.57195,4.148359224
TG(16:1(9Z)/O-18:0/20:3n6),[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OCCCCCCCCCCCCCCCCCC,116.57346,7.802833617
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TG(17:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,116.57408,4.445823282
TG(a-25:0/14:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,116.57547,4.802636802
TG(i-17:0/10:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,116.57612,4.410247877
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TG(18:0/a-21:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,116.57968,4.644396156
TG(17:0/i-19:0/i-24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,116.58048,4.445823282
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TG(17:0/i-22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,116.58786,4.445823282
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TG(17:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,116.59792,4.425300285
TG(17:0/i-22:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,116.59979,4.445823282
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"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]",[H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,116.602135,8.104214072
TG(i-12:0/12:0/i-13:0),[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,116.60231,5.254913494
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TG(17:0/i-24:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,116.60653,4.445823282
TG(i-12:0/15:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,116.609795,4.410247877
TG(a-17:0/16:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,116.61092,4.81902808
TG(i-12:0/13:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,116.611496,4.410247877
TG(17:0/i-17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,116.61181,4.425300285
TG(a-25:0/21:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,116.61204,6.375283003
TG(i-14:0/10:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,116.61256,4.410247877
TG(17:0/i-19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,116.616425,4.644396156
TG(i-14:0/18:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,116.61937,4.410247877
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TG(17:0/i-20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,116.62765,4.644396156
TG(17:0/i-19:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,116.62884,4.644396156
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TG(16:0/i-19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,116.634674,4.425300285
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TG(a-17:0/19:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,116.80717,4.802636802
TG(a-17:0/21:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,116.80997,4.841376841
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TG(i-15:0/20:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,116.81451,4.410247877
TG(i-14:0/16:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,116.81462,4.410247877
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TG(i-13:0/i-17:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,116.82899,4.353744537
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TG(i-15:0/i-21:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,117.67546,4.353744537
TG(i-14:0/18:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,117.67604,4.425300285
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TG(16:0/14:1(9Z)/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,117.8557,8.395817876
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TG(i-16:0/19:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,117.86977,4.644396156
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TG(i-14:0/20:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,117.88202,4.410247877
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TG(i-17:0/13:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,117.94131,4.410247877
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TG(i-19:0/10:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,117.97492,4.410247877
TG(i-13:0/a-21:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,117.97786,4.353744537
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TG(13:0/14:1(9Z)/17:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,117.99131,7.431530952
TG(a-25:0/16:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,117.99196,4.841376841
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TG(i-14:0/20:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,118.012276,4.644396156
TG(i-12:0/18:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,118.01309,4.410247877
TG(a-21:0/14:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,118.01705,4.802636802
TG(i-22:0/14:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,118.01947,4.445823282
TG(22:0/14:1(9Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,118.01975,8.280465752
TG(i-12:0/8:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,118.02065,5.254913494
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TG(14:0/14:1(9Z)/21:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,118.05455,7.431530952
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TG(i-15:0/a-21:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,118.06451,4.353744537
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TG(14:0/14:1(9Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,118.07655,8.395817876
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TG(a-25:0/14:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,118.07866,5.057617277
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TG(15:0/14:1(9Z)/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,118.08945,7.431530952
TG(a-25:0/19:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,118.097786,4.841376841
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TG(i-21:0/12:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,118.10357,4.425300285
TG(i-12:0/16:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,118.10424,4.410247877
TG(i-14:0/22:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,118.10537,4.425300285
TG(i-14:0/19:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,118.10559,4.410247877
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TG(i-16:0/i-16:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,118.65794,4.353744537
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TG(i-13:0/i-18:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,118.66881,4.134249315
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TG(i-14:0/14:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,118.67393,4.410247877
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TG(i-19:0/a-21:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,118.68906,5.138296261
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TG(i-16:0/15:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,118.695816,4.410247877
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TG(i-16:0/19:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,118.724976,4.425300285
TG(i-16:0/18:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,118.73768,4.644396156
TG(16:0/16:1(9Z)/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,118.74001,8.424472064
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TG(i-16:0/16:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,118.75632,4.425300285
TG(15:0/18:1(11Z)/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,118.75771,8.395817876
TG(a-17:0/21:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,118.7696,5.057617277
TG(a-25:0/20:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,118.77051,5.969008431
TG(a-21:0/12:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,118.77326,4.802636802
TG(a-17:0/19:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,118.78021,5.057617277
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TG(12:0/14:1(9Z)/18:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,118.78518,7.431530952
TG(i-12:0/20:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,118.78863,4.644396156
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TG(i-12:0/18:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,118.79696,4.410247877
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TG(i-19:0/12:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,118.8127,4.410247877
TG(i-14:0/17:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,118.81508,4.410247877
TG(a-17:0/18:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,118.81777,4.81902808
TG(i-16:0/20:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,118.817955,4.410247877
TG(20:0/16:1(9Z)/22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,118.820145,8.650314063
TG(18:0/16:1(9Z)/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,118.82111,8.424472064
TG(15:0/16:1(9Z)/18:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,118.82727,7.431530952
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TG(i-12:0/21:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,118.83932,4.410247877
TG(i-16:0/22:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,118.83978,4.644396156
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TG(a-21:0/18:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,119.046875,4.802636802
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TG(16:0/16:1(9Z)/17:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.0496,7.431530952
TG(i-15:0/i-19:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,119.06163,4.134249315
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TG(22:0/18:1(11Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,119.07488,10.20911485
TG(18:0/16:1(9Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.07621,8.650314063
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TG(i-15:0/i-20:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,119.081215,4.134249315
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TG(12:0/16:1(9Z)/22:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.08447,7.431530952
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TG(22:0/18:1(9Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.08641,10.20911485
TG(a-21:0/17:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,119.08976,4.802636802
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TG(a-21:0/18:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,119.12944,4.81902808
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TG(a-21:0/12:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,119.13524,4.802636802
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TG(13:0/16:1(9Z)/20:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.13688,7.431530952
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TG(i-15:0/i-22:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,119.139984,4.148359224
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TG(a-21:0/19:0/12:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,119.14882,4.802636802
TG(15:0/16:1(9Z)/19:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.15156,7.431530952
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TG(i-14:0/15:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,119.157455,4.410247877
TG(i-13:0/a-21:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,119.15932,4.167598113
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TG(a-21:0/20:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,119.17289,5.969008431
TG(i-13:0/14:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,119.17348,5.254913494
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TG(i-15:0/i-21:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,119.17901,4.148359224
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TG(i-16:0/18:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,119.187546,4.410247877
TG(14:0/16:1(9Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.18796,8.424472064
TG(i-18:0/a-21:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,119.19272,4.167598113
TG(a-17:0/19:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,119.19549,4.81902808
TG(i-17:0/a-21:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,119.20069,4.353744537
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TG(a-25:0/16:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,119.21248,4.841376841
TG(a-21:0/i-21:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,119.21352,5.138296261
TG(15:0/20:1(11Z)/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,119.21366,8.395817876
TG(i-15:0/i-24:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,119.21493,4.353744537
TG(15:0/20:1(11Z)/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,119.21729,7.431530952
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TG(i-14:0/20:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,119.2204,4.410247877
TG(i-15:0/i-17:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,119.22271,4.134249315
TG(a-25:0/15:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,119.22383,5.057617277
TG(i-16:0/i-15:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,119.22427,4.353744537
TG(i-15:0/14:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,119.23637,4.410247877
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TG(i-15:0/i-18:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,119.24039,4.134249315
TG(a-21:0/i-19:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,119.24157,5.488029122
TG(20:0/18:1(11Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,119.244774,10.90398803
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TG(i-16:0/16:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,119.26021,4.410247877
TG(i-16:0/10:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,119.26036,4.410247877
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TG(16:0/18:1(11Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,119.26229,8.650314063
TG(15:0/20:1(11Z)/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,119.26662,8.424472064
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TG(i-15:0/i-16:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,119.28397,4.353744537
TG(a-21:0/19:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,119.2857,4.81902808
TG(14:0/16:1(9Z)/21:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.29198,7.431530952
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TG(i-12:0/14:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,119.330086,4.410247877
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TG(16:0/18:1(9Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.346985,8.650314063
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TG(a-25:0/21:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,119.35529,5.969008431
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TG(a-25:0/19:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,119.358574,6.375283003
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TG(i-20:0/10:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,119.366745,4.425300285
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TG(i-17:0/8:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,119.37061,4.410247877
TG(12:0/18:1(9Z)/20:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.37255,7.431530952
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TG(15:0/18:1(9Z)/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.37962,7.431530952
TG(16:0/18:1(9Z)/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.38103,8.424472064
TG(14:0/20:1(11Z)/16:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,119.38275,7.431530952
TG(15:0/18:1(11Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,119.38953,8.650314063
TG(i-19:0/a-17:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,119.390274,4.353744537
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TG(a-25:0/18:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,119.394585,6.375283003
TG(15:0/18:1(9Z)/16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.3983,7.431530952
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TG(12:0/16:1(9Z)/21:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.40156,7.431530952
TG(14:0/20:1(11Z)/22:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,119.40157,8.841566741
TG(14:0/16:1(9Z)/19:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,119.40175,7.431530952
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TG(14:0/20:1(11Z)/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,119.4047,8.424472064
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TG(a-25:0/20:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,119.41093,6.375283003
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TG(a-21:0/14:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,119.41384,4.81902808
TG(a-15:0/20:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,119.41554,4.802636802
TG(18:0/18:1(9Z)/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.41742,8.841566741
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TG(i-16:0/8:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,119.4282,5.254913494
TG(i-15:0/i-15:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,119.42939,4.134249315
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TG(a-25:0/17:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,119.43777,4.841376841
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TG(i-12:0/22:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,119.45054,4.425300285
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TG(15:0/18:1(9Z)/20:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.45843,8.395817876
TG(a-21:0/16:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,119.46358,4.841376841
TG(i-16:0/17:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,119.46726,4.410247877
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TG(a-25:0/16:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,119.47188,4.841376841
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TG(a-25:0/21:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,119.472786,5.969008431
TG(i-18:0/8:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,119.47349,4.410247877
TG(14:0/18:1(9Z)/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.474304,7.431530952
TG(15:0/20:1(11Z)/14:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,119.474785,7.431530952
TG(20:0/18:1(9Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.47869,10.90398803
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TG(i-18:0/14:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,119.579865,4.410247877
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TG(i-13:0/a-21:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,119.615105,4.148359224
TG(i-20:0/17:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,119.616615,4.644396156
TG(14:0/18:1(9Z)/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,119.62047,7.431530952
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TG(i-14:0/21:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,119.65024,4.410247877
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TG(i-15:0/14:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,119.67395,4.410247877
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TG(i-13:0/a-21:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,119.91915,4.353744537
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TG(a-21:0/i-19:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,119.93261,5.138296261
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TG(20:2n6/24:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,119.94666,10.88302135
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TG(a-15:0/20:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,119.96428,4.802636802
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TG(i-16:0/13:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,119.968475,4.410247877
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TG(i-12:0/19:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,119.96882,4.410247877
TG(i-13:0/a-21:0/i-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,119.9689,4.134249315
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TG(a-15:0/16:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,119.98172,4.802636802
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TG(a-15:0/21:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,119.9895,4.81902808
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TG(a-15:0/17:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,119.992325,4.802636802
TG(20:2n6/15:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,119.992676,8.980572969
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TG(i-16:0/20:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,119.99672,4.425300285
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TG(i-20:0/20:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,120.00436,5.85440509
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TG(15:0/18:1(9Z)/16:0)[iso6],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,120.00702,7.431530952
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TG(a-15:0/18:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,120.03533,4.802636802
TG(i-13:0/a-25:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,120.03711,4.167598113
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TG(i-14:0/12:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,120.04243,4.410247877
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TG(i-16:0/13:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,120.0445,4.410247877
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TG(i-12:0/21:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,120.054924,4.410247877
TG(i-13:0/i-19:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,120.05842,4.134249315
TG(i-20:0/15:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,120.066475,4.445823282
TG(i-12:0/17:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,120.06755,4.410247877
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TG(i-20:0/8:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,120.07123,4.410247877
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TG(a-15:0/19:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,120.075325,4.802636802
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TG(20:2n6/18:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCC,120.08039,9.221322834
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TG(i-15:0/a-17:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,120.08309,4.134249315
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TG(a-21:0/22:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,120.095566,4.841376841
TG(i-13:0/i-13:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,120.0972,4.134249315
TG(i-13:0/i-20:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,120.10066,4.134249315
TG(20:2n6/22:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,120.10324,11.6237618
TG(i-20:0/20:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,120.10687,5.481324345
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TG(16:1(9Z)/18:1(11Z)/20:2n6),[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,120.11608,8.434397727
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TG(20:2n6/16:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,120.123665,9.425200522
TG(15:0/24:1(15Z)/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,120.12662,8.650314063
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TG(i-20:0/14:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,120.12745,4.644396156
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TG(i-13:0/i-21:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,120.13956,4.134249315
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TG(a-21:0/i-21:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,120.14565,5.138296261
TG(i-13:0/a-17:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,120.15626,4.134249315
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TG(i-12:0/17:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,120.16055,4.410247877
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TG(13:0/18:1(9Z)/19:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,120.16433,7.431530952
TG(i-13:0/i-22:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,120.17015,4.134249315
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TG(i-15:0/a-21:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,120.172264,4.167598113
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TG(14:0/18:1(11Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,120.179535,8.841566741
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TG(i-20:0/22:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,120.18983,5.481324345
TG(16:1(9Z)/O-18:0/20:2n6),[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OCCCCCCCCCCCCCCCCCC,120.19372,7.802833617
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TG(20:2n6/20:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,120.19813,8.827061951
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TG(15:0/20:1(11Z)/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,120.223625,7.431530952
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TG(i-12:0/16:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,120.2292,4.410247877
TG(a-21:0/i-24:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,120.22939,4.328170419
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TG(14:0/24:1(15Z)/18:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,120.23096,8.841566741
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"TG(14:1(9Z)/16:1(9Z)/20:2(11Z,14Z))[iso6]",[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCC\C=C/CCCCCC,120.24072,7.440286875
TG(i-12:0/20:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,120.24409,4.425300285
TG(i-12:0/18:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,120.24516,4.410247877
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TG(12:0/18:1(9Z)/21:0)[iso6],[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,120.249146,7.431530952
TG(a-21:0/i-18:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,120.24938,5.138296261
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TG(a-21:0/21:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,120.255875,6.375283003
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TG(i-12:0/20:0/i-17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,120.26314,4.410247877
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TG(i-14:0/13:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,120.28328,5.254913494
TG(22:0/22:1(13Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,120.28402,10.20911485
TG(i-20:0/16:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,120.28514,4.644396156
"TG(18:2(9Z,12Z)/14:0/18:3(6Z,9Z,12Z))",[H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,120.28685,7.440286875
TG(16:1(9Z)/14:1(9Z)/20:2n6),[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCC,120.29038,7.440286875
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TG(14:0/24:1(15Z)/20:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,120.38204,8.650314063
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TG(16:0/24:1(15Z)/18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,120.399536,8.650314063
TG(i-14:0/22:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,120.39997,4.425300285
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TG(14:0/18:1(9Z)/24:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,120.420006,8.841566741
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TG(i-12:0/15:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,120.43204,4.410247877
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TG(i-19:0/10:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,120.44031,4.410247877
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TG(i-12:0/16:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,120.44564,4.410247877
TG(i-15:0/a-25:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,120.44641,4.167598113
TG(i-14:0/18:0/i-16:0),[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,120.44866,4.410247877
TG(a-21:0/22:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,120.45218,6.375283003
TG(14:0/24:1(15Z)/15:0),[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,120.45569,8.395817876
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TG(i-16:0/14:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,121.56582,4.410247877
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TG(a-25:0/i-13:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,121.574135,4.445823282
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TG(a-25:0/i-19:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,121.674416,5.481324345
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TG(i-22:0/12:0/i-24:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,121.96453,4.644396156
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TG(i-19:0/20:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,121.9902,4.445823282
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TG(a-21:0/i-21:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,122.03434,5.488029122
TG(i-22:0/i-14:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,122.0393,5.488029122
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TG(i-18:0/17:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,122.046326,4.425300285
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TG(18:1(9Z)/20:1(11Z)/20:2n6),[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,122.06877,8.660506457
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TG(i-17:0/20:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,122.0825,4.644396156
TG(18:1(9Z)/24:1(15Z)/20:2n6),[H][C@@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,122.08445,10.91683581
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TG(i-13:0/i-20:0/a-15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,122.24104,4.134249315
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TG(i-15:0/i-12:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,122.26488,4.134249315
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TG(i-16:0/18:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,122.2706,4.410247877
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TG(i-12:0/i-15:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,122.27916,4.134249315
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TG(i-14:0/10:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,122.28868,5.254913494
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TG(i-24:0/a-21:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,122.29733,5.481324345
TG(a-17:0/i-21:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,122.29856,5.488029122
TG(a-25:0/i-20:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,122.30301,5.481324345
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TG(i-12:0/18:0/i-14:0),[H][C@@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,122.48166,4.410247877
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TG(16:1(9Z)/20:2n6/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,122.56444,8.660506457
TG(i-12:0/12:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,122.56651,5.254913494
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TG(i-15:0/a-15:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,122.5948,4.134249315
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TG(20:1(11Z)/22:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,122.64284,10.91683581
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TG(20:1(11Z)/15:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCC,122.64483,8.434397727
TG(i-20:0/a-17:0/i-21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,122.64651,4.167598113
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TG(20:1(11Z)/14:0/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,122.65156,8.434397727
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TG(22:1(13Z)/22:0/20:3n6),[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,122.66617,10.22114381
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TG(16:1(9Z)/14:0/20:3n6),[H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,122.67595,7.440286875
TG(22:1(13Z)/20:0/20:3n6),[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,122.67642,10.91683581
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TG(18:1(9Z)/16:0/20:3n6),[H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,122.67818,8.434397727
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TG(i-21:0/a-25:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,122.68599,5.481324345
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TG(i-16:0/15:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,122.70402,4.410247877
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TG(i-17:0/14:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,122.704666,4.410247877
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TG(i-14:0/14:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,122.72759,4.410247877
TG(i-16:0/20:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,122.73229,4.425300285
TG(24:1(15Z)/16:0/20:3n6),[H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC,122.740005,8.290223032
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TG(i-16:0/14:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,123.00747,4.410247877
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TG(i-12:0/i-24:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,123.74195,5.488029122
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TG(i-12:0/8:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,123.77594,5.254913494
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TG(i-15:0/a-25:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,123.80599,5.85440509
TG(a-21:0/i-19:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,123.807205,5.85440509
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TG(i-21:0/i-19:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,123.91242,4.445823282
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TG(i-12:0/10:0/i-22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,123.918526,4.410247877
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TG(i-19:0/i-19:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,123.93248,4.445823282
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TG(i-15:0/a-21:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,123.9431,4.644396156
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TG(a-25:0/a-25:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,123.94601,5.123833567
TG(i-14:0/14:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,123.947556,4.410247877
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TG(i-14:0/12:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,123.96207,4.410247877
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TG(a-15:0/i-21:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,124.03391,4.167598113
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TG(i-12:0/20:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,124.17176,4.410247877
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TG(i-18:0/12:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,124.18529,4.410247877
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TG(i-12:0/i-20:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,124.24983,4.353744537
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TG(i-14:0/10:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,124.25223,5.254913494
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TG(i-12:0/15:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,124.25831,4.410247877
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TG(a-21:0/a-25:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,124.28132,5.481324345
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TG(i-14:0/14:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,124.28248,4.410247877
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TG(a-17:0/i-18:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,124.29278,4.167598113
TG(i-16:0/12:0/i-19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,124.3009,4.410247877
TG(i-21:0/i-22:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,124.30151,5.481324345
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TG(a-21:0/i-22:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,124.32066,5.481324345
TG(i-17:0/i-21:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,124.32157,4.445823282
TG(i-19:0/i-20:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,124.322876,4.445823282
TG(a-25:0/a-21:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,124.33155,5.481324345
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TG(i-12:0/12:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,124.33852,5.254913494
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TG(a-21:0/a-21:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,124.34871,5.481324345
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TG(i-12:0/10:0/i-20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,124.35307,5.254913494
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TG(i-19:0/i-18:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,124.36211,4.644396156
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TG(i-20:0/i-12:0/a-25:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,124.368416,4.353744537
TG(i-21:0/i-17:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,124.375336,4.445823282
TG(i-22:0/i-21:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,124.38493,5.481324345
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TG(i-21:0/i-20:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,124.40861,5.85440509
TG(i-12:0/14:0/i-18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,124.40877,4.410247877
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TG(i-19:0/a-21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,124.53082,4.644396156
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TG(i-19:0/a-15:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,124.53584,4.353744537
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TG(a-15:0/i-19:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,124.683846,4.353744537
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TG(a-25:0/i-19:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,128.3584,4.445823282
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TG(a-13:0/i-22:0/i-13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,128.37814,4.134249315
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TG(i-24:0/a-25:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,128.383,5.481324345
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TG(i-13:0/a-21:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,128.39673,4.410247877
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TG(a-17:0/a-17:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,128.4118,4.644396156
TG(18:1(11Z)/22:1(13Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,128.413,9.123489261
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TG(a-13:0/i-15:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,128.42514,4.134249315
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TG(18:1(11Z)/24:1(15Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,128.44304,9.123489261
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TG(i-21:0/a-17:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,128.44572,5.138296261
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TG(a-17:0/a-17:0/a-17:0)[rac],[H]C(COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,128.45473,4.148359224
TG(i-15:0/a-13:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,128.45583,4.134249315
TG(a-21:0/a-13:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,128.45638,4.644396156
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TG(22:1(13Z)/18:1(11Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC,128.46367,9.123489261
TG(i-14:0/a-17:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,128.46812,4.134249315
TG(i-21:0/i-21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,128.47379,4.644396156
TG(i-22:0/a-17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,128.47702,4.353744537
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TG(18:1(11Z)/24:1(15Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,128.47945,9.123489261
TG(a-25:0/a-15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,128.48137,5.138296261
TG(i-19:0/i-21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,128.4818,4.425300285
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TG(22:1(13Z)/20:1(11Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,128.50533,9.123489261
TG(i-21:0/i-21:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,128.50677,5.85440509
TG(20:1(11Z)/22:1(13Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,128.50928,9.123489261
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TG(a-13:0/i-20:0/i-15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,128.51065,4.134249315
TG(i-19:0/i-22:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,128.51633,4.445823282
TG(i-19:0/i-20:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,128.5171,4.644396156
TG(i-19:0/a-13:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,128.51953,4.148359224
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TG(a-25:0/a-17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,128.5266,4.167598113
TG(a-13:0/a-25:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,128.52863,4.425300285
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TG(i-19:0/i-21:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,128.53206,4.445823282
TG(i-16:0/a-21:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,128.53424,4.445823282
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TG(i-16:0/i-24:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,128.5366,4.445823282
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TG(i-19:0/i-18:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,128.54407,4.644396156
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TG(i-17:0/a-25:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,129.1762,4.445823282
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TG(16:1(9Z)/24:1(15Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,129.17838,9.123489261
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TG(16:1(9Z)/22:1(13Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,129.18163,7.399930805
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TG(a-21:0/i-13:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,129.1823,4.167598113
TG(i-13:0/i-16:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,129.19214,4.410247877
TG(i-21:0/a-21:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.19699,4.445823282
TG(a-17:0/i-14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,129.19943,4.134249315
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TG(i-21:0/i-13:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,129.20134,4.410247877
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TG(i-16:0/a-17:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,129.21036,4.134249315
TG(i-18:0/a-13:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,129.21344,4.410247877
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TG(18:1(11Z)/16:1(9Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,129.21991,7.730449736
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TG(i-12:0/a-17:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,129.22765,4.134249315
TG(i-24:0/i-21:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,129.2288,4.445823282
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TG(a-21:0/a-17:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,129.23013,4.353744537
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TG(a-15:0/a-25:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,129.23181,4.353744537
TG(i-19:0/a-21:0/a-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.23402,4.353744537
TG(a-13:0/i-18:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,129.2363,4.148359224
TG(i-19:0/i-13:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,129.23888,4.410247877
TG(16:1(9Z)/24:1(15Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,129.24107,9.744470567
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TG(i-12:0/a-21:0/i-13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.24478,4.134249315
TG(a-21:0/i-19:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,129.24606,4.644396156
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TG(i-13:0/a-13:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,129.25793,4.134249315
TG(i-13:0/i-13:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,129.25916,4.410247877
TG(a-17:0/i-15:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,129.25923,4.134249315
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TG(i-15:0/i-24:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,129.26346,4.644396156
TG(22:1(13Z)/16:1(9Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,129.26471,9.744470567
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TG(a-15:0/i-20:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,129.26793,4.644396156
TG(a-13:0/i-18:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,129.26802,4.410247877
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TG(i-15:0/a-21:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.27351,5.488029122
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TG(a-21:0/i-14:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,129.27496,4.134249315
TG(i-15:0/a-25:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,129.27666,4.644396156
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TG(a-13:0/i-20:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,129.2825,4.425300285
TG(i-13:0/a-15:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,129.28352,4.148359224
TG(i-18:0/a-21:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.28645,4.353744537
TG(i-16:0/a-25:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,129.28842,4.167598113
TG(a-21:0/a-21:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.28969,4.353744537
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TG(i-21:0/i-17:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,129.29475,4.445823282
TG(i-21:0/a-15:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,129.2959,4.167598113
TG(i-18:0/a-21:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.3023,5.138296261
TG(a-13:0/i-22:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,129.30313,4.353744537
TG(a-25:0/a-17:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,129.30553,5.138296261
TG(i-16:0/a-13:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,129.30554,4.134249315
TG(i-17:0/i-21:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,129.30821,4.445823282
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TG(a-21:0/i-18:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,129.31665,5.138296261
TG(a-13:0/i-13:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,129.31866,4.134249315
TG(i-13:0/a-21:0/i-18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.31969,4.134249315
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TG(a-21:0/a-17:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,129.3282,4.353744537
TG(i-21:0/i-22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,129.33607,5.481324345
TG(i-13:0/i-24:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,129.33672,4.644396156
TG(i-21:0/a-15:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,129.33833,5.488029122
TG(i-16:0/i-19:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,129.33875,4.644396156
TG(a-13:0/i-16:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,129.34006,4.134249315
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TG(a-21:0/i-18:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,129.44754,4.644396156
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TG(i-19:0/i-15:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,129.63617,4.410247877
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TG(a-15:0/a-25:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,129.86272,4.410247877
TG(i-16:0/a-17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,129.86395,4.134249315
TG(a-15:0/i-24:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,129.86504,4.167598113
TG(i-22:0/a-21:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.86623,5.85440509
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TG(i-20:0/a-21:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.8692,4.445823282
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TG(i-15:0/i-13:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,129.8921,4.410247877
TG(14:1(9Z)/22:1(13Z)/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,129.89597,7.528623194
TG(16:1(9Z)/18:1(9Z)/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,129.89621,7.730449736
TG(i-15:0/a-15:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,129.89688,4.353744537
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TG(a-17:0/i-22:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,129.89949,4.167598113
TG(i-20:0/i-24:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,129.90164,5.85440509
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TG(i-20:0/a-15:0/a-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,129.90263,4.148359224
TG(a-21:0/i-16:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,129.90662,4.148359224
TG(a-21:0/i-16:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,129.90958,4.353744537
TG(20:1(11Z)/14:0/20:2n6),[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,129.91338,7.528623194
TG(i-21:0/a-13:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,129.91359,4.167598113
TG(i-19:0/a-17:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,129.91737,4.425300285
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TG(i-17:0/a-25:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,129.92026,5.138296261
TG(14:1(9Z)/24:1(15Z)/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,129.92064,7.901364565
TG(a-15:0/a-21:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,129.92119,4.167598113
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TG(a-15:0/i-18:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,130.03758,4.134249315
TG(i-17:0/a-21:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,130.04712,4.445823282
TG(i-14:0/i-15:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,130.04771,4.410247877
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TG(i-18:0/a-13:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,130.05063,4.148359224
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TG(a-15:0/i-19:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,130.06073,4.148359224
TG(i-24:0/i-24:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,130.06078,5.85440509
TG(i-12:0/a-21:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,130.0629,4.353744537
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TG(16:1(9Z)/18:1(9Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC,130.07741,7.901364565
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TG(a-21:0/i-19:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,130.0896,4.445823282
TG(i-21:0/i-24:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,130.09125,5.85440509
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TG(a-13:0/i-19:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,130.48036,4.134249315
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TG(i-16:0/i-18:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,130.52242,4.425300285
TG(i-24:0/i-24:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,130.52536,5.481324345
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TG(i-13:0/i-19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,130.53406,4.410247877
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TG(18:1(9Z)/14:1(9Z)/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,130.54088,7.528623194
TG(i-24:0/i-18:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,130.54219,5.481324345
TG(i-12:0/a-15:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,130.54861,4.134249315
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TG(i-16:0/i-20:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,130.5555,4.644396156
TG(i-15:0/i-17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,130.55753,4.410247877
TG(22:1(13Z)/14:0/20:2n6),[H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC,130.55786,7.901364565
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TG(i-17:0/i-15:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,130.57915,4.410247877
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TG(a-21:0/i-14:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,130.61867,4.353744537
TG(i-16:0/a-17:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,130.61961,4.425300285
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TG(14:1(9Z)/24:1(15Z)/20:3n6),[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,130.62636,9.221322834
TG(a-17:0/a-17:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,130.62802,4.167598113
TG(i-13:0/i-17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,130.62912,4.410247877
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TG(a-17:0/a-15:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,130.63353,4.148359224
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TG(18:1(11Z)/16:1(9Z)/18:1(9Z))[iso6],[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,130.63866,7.503015548
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TG(i-21:0/a-17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,130.6416,4.148359224
TG(a-17:0/i-19:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,130.65437,4.134249315
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TG(i-17:0/a-15:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,130.6595,4.134249315
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TG(i-13:0/a-17:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,130.85461,4.410247877
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TG(i-13:0/i-18:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,131.06892,4.410247877
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TG(i-19:0/a-17:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,131.11578,4.410247877
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TG(a-21:0/i-13:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,131.12675,4.425300285
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TG(a-17:0/a-25:0/i-18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,131.13641,5.488029122
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TG(i-17:0/i-22:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,131.14221,4.644396156
TG(i-18:0/i-13:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,131.14706,4.410247877
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TG(i-21:0/a-15:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,131.15544,4.445823282
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TG(a-15:0/i-19:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,131.17487,4.167598113
TG(i-24:0/a-15:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,131.17593,5.85440509
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TG(a-17:0/i-16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,131.18098,4.134249315
TG(i-12:0/i-13:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,131.18259,4.410247877
TG(a-13:0/a-21:0/i-13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,131.18388,4.134249315
TG(a-25:0/i-13:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,131.18683,4.644396156
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TG(a-17:0/a-17:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,131.19618,4.134249315
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TG(i-13:0/i-13:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,131.19849,5.254913494
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TG(i-22:0/i-17:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,131.21379,4.644396156
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TG(i-19:0/a-15:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,131.23817,4.644396156
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TG(i-16:0/a-21:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,131.25464,4.353744537
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TG(i-18:0/a-21:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,131.27048,4.410247877
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TG(a-25:0/i-14:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,131.2945,5.488029122
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TG(a-25:0/a-15:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,131.30475,4.167598113
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TG(i-12:0/a-21:0/i-19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,131.31331,4.134249315
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TG(i-13:0/i-13:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,131.33179,4.410247877
TG(i-14:0/i-18:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,131.33186,4.410247877
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TG(i-20:0/i-13:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,131.35646,4.410247877
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TG(i-22:0/a-15:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,131.36552,4.148359224
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TG(a-15:0/i-20:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,131.37755,4.167598113
TG(i-12:0/a-13:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,131.38023,4.410247877
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TG(a-17:0/a-21:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,131.3912,4.134249315
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TG(i-12:0/a-15:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,131.395,4.410247877
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TG(a-17:0/a-17:0/i-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,131.40099,4.134249315
TG(i-14:0/a-17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,131.40811,4.134249315
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TG(i-14:0/i-20:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,131.4094,4.425300285
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TG(i-15:0/a-15:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,131.41151,4.410247877
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TG(i-19:0/i-21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,131.4199,4.644396156
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TG(a-21:0/i-14:0/i-24:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,131.63895,4.167598113
TG(a-17:0/i-22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,131.64435,4.148359224
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TG(a-15:0/i-14:0/21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,131.65303,4.410247877
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TG(a-17:0/i-24:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,131.67538,4.445823282
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TG(i-20:0/i-19:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,132.54283,4.644396156
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TG(i-20:0/i-22:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,132.54837,4.445823282
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TG(i-14:0/i-14:0/21:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,132.57106,4.410247877
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TG(i-13:0/i-18:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,132.57567,4.410247877
TG(i-20:0/i-18:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,132.58466,4.644396156
TG(i-24:0/i-24:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,132.58696,4.644396156
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TG(i-14:0/a-25:0/i-16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,132.66672,4.353744537
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TG(a-15:0/i-24:0/i-18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,134.44867,4.353744537
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TG(i-21:0/i-18:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,134.48424,4.410247877
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TG(20:2n6/22:1(13Z)/20:3n6),[H][C@](COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,134.49138,11.6237618
TG(i-19:0/i-15:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,134.49602,5.254913494
TG(i-21:0/i-18:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,134.49709,4.644396156
TG(a-25:0/i-14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,134.4971,4.148359224
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TG(i-20:0/i-20:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,134.50119,5.85440509
TG(i-17:0/i-20:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,134.50151,4.445823282
TG(i-22:0/i-18:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,134.51103,5.85440509
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TG(a-17:0/i-24:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,134.52039,4.644396156
TG(i-18:0/i-22:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,134.52106,5.85440509
TG(i-13:0/a-21:0/a-15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,134.52296,4.134249315
TG(i-18:0/i-21:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,134.5239,4.644396156
TG(i-22:0/i-20:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,134.52757,5.481324345
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TG(a-17:0/i-14:0/i-22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,134.53265,4.148359224
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TG(i-20:0/i-19:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,134.54404,4.445823282
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TG(i-17:0/i-18:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,134.55757,4.644396156
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TG(i-22:0/i-15:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,134.55766,4.445823282
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TG(a-15:0/i-16:0/i-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,135.11331,4.134249315
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TG(a-13:0/i-13:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCC(C)C,135.12534,4.410247877
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TG(a-17:0/i-22:0/i-18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,135.12596,4.353744537
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TG(i-15:0/i-22:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,135.203,4.410247877
TG(a-13:0/i-16:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)C,135.2032,4.353744537
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TG(i-12:0/a-25:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,135.21751,4.644396156
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TG(i-18:0/i-15:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,135.22261,4.410247877
TG(i-12:0/a-17:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,135.22281,4.353744537
TG(i-19:0/i-20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,135.22746,4.644396156
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TG(i-21:0/i-14:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,137.34494,5.254913494
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TG(a-13:0/i-20:0/i-18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,137.34885,4.134249315
TG(a-17:0/i-20:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,137.35153,4.410247877
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TG(i-17:0/a-21:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,137.35802,4.410247877
TG(i-22:0/a-21:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,137.35887,4.410247877
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TG(a-13:0/i-18:0/i-14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,137.35988,4.134249315
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TG(i-24:0/a-15:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,137.37762,4.445823282
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TG(14:1(9Z)/22:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,137.38461,8.424472064
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TG(i-13:0/a-13:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,137.38863,4.410247877
TG(i-18:0/a-17:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,137.38884,4.353744537
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TG(a-15:0/i-19:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,137.38988,4.148359224
TG(a-13:0/i-18:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,137.38997,4.134249315
TG(i-19:0/i-16:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,137.3906,4.410247877
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TG(a-15:0/i-17:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,137.40552,4.425300285
TG(i-24:0/a-15:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,137.40617,4.425300285
TG(a-15:0/i-19:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,137.40866,4.353744537
TG(a-13:0/i-15:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,137.41187,5.254913494
TG(i-22:0/a-13:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,137.4145,4.425300285
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TG(i-20:0/i-22:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.41943,4.410247877
TG(i-12:0/a-21:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,137.41971,4.410247877
TG(a-15:0/i-22:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.42468,4.353744537
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TG(20:1(11Z)/20:2n6/20:1(11Z)),[H]C(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,137.43704,8.290223032
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TG(i-16:0/i-21:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,137.44562,4.410247877
TG(22:1(13Z)/20:2n6/22:1(13Z)),[H]C(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC,137.44661,10.22114381
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TG(i-22:0/i-20:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,137.44936,4.425300285
TG(i-19:0/i-22:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.44992,4.445823282
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TG(i-15:0/i-15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,137.45084,4.410247877
TG(14:1(9Z)/15:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC,137.45383,7.431530952
TG(i-19:0/i-18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,137.45525,4.644396156
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TG(14:1(9Z)/17:0/18:1(9Z))[iso6],[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC,137.46034,7.431530952
TG(i-20:0/i-15:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,137.46178,5.254913494
TG(i-21:0/i-16:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,137.46504,4.410247877
TG(i-15:0/a-17:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,137.46935,4.410247877
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TG(a-15:0/i-22:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.47661,4.445823282
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TG(i-19:0/i-20:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,137.48267,4.425300285
TG(14:1(9Z)/16:0/18:1(9Z))[iso6],[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,137.48668,7.431530952
TG(a-17:0/i-18:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,137.48674,4.353744537
TG(i-18:0/a-13:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,137.48837,4.410247877
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TG(i-20:0/i-19:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,137.49608,4.410247877
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TG(a-15:0/i-17:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,137.49782,4.134249315
TG(14:1(9Z)/20:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,137.49911,7.431530952
TG(16:1(9Z)/20:0/16:1(9Z)),[H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,137.49974,8.395817876
TG(a-25:0/i-14:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,137.51155,4.445823282
TG(16:1(9Z)/22:0/16:1(9Z)),[H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,137.51407,8.424472064
TG(14:1(9Z)/18:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,137.51561,7.431530952
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TG(i-19:0/a-15:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,137.54814,4.425300285
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TG(a-13:0/i-22:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.59958,4.353744537
TG(i-24:0/a-25:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,137.60004,5.138296261
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TG(i-20:0/i-20:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,137.61674,4.410247877
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TG(i-17:0/a-15:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,137.61948,4.410247877
TG(i-18:0/i-20:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,137.62329,4.410247877
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TG(i-20:0/i-17:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,137.65602,4.410247877
TG(14:1(9Z)/14:0/16:1(9Z)),[H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCC,137.65828,7.431530952
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TG(a-13:0/i-22:0/i-14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.65866,4.134249315
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TG(a-17:0/i-22:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.67892,5.488029122
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TG(i-15:0/i-14:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,137.6821,4.134249315
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TG(a-21:0/i-14:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,137.68721,4.410247877
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TG(a-15:0/i-22:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.70744,4.353744537
TG(i-22:0/a-25:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,137.71013,5.138296261
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TG(i-14:0/i-15:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,137.71706,4.134249315
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TG(i-19:0/i-20:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,137.79005,4.425300285
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TG(i-24:0/a-25:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,137.92154,4.328170419
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TG(i-17:0/i-13:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,137.92438,4.410247877
TG(i-15:0/i-19:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,137.93333,4.425300285
TG(i-15:0/i-20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,137.93742,4.410247877
TG(i-15:0/i-22:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,137.9377,4.425300285
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TG(i-21:0/i-22:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,138.15234,4.445823282
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TG(i-20:0/i-15:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,138.24399,4.410247877
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TG(i-13:0/i-19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,138.25357,4.410247877
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TG(i-24:0/i-22:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,138.27315,5.481324345
TG(i-15:0/i-19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,138.27383,4.410247877
TG(i-22:0/a-17:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,138.27655,4.644396156
TG(i-14:0/i-15:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,138.2769,5.254913494
TG(i-20:0/a-13:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,138.2774,4.644396156
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TG(i-15:0/i-22:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,138.27942,4.644396156
TG(i-18:0/i-24:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,138.28017,5.85440509
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TG(i-17:0/i-24:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,138.293,4.445823282
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TG(i-15:0/i-14:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,138.29677,5.254913494
TG(18:1(11Z)/16:0/18:1(9Z)),[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,138.30054,8.395817876
TG(i-24:0/a-21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,138.3044,4.045888036
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TG(16:1(9Z)/18:0/18:1(11Z))[iso6],[H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,138.31929,8.395817876
TG(i-18:0/a-13:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,138.32063,4.425300285
TG(i-22:0/a-13:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,138.3222,4.644396156
TG(i-24:0/a-25:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,138.32402,4.045888036
TG(i-20:0/a-21:0/14:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,138.33113,4.644396156
TG(i-20:0/i-16:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,138.33186,4.410247877
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TG(i-14:0/a-21:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,138.33429,4.353744537
TG(i-20:0/i-21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,138.34442,4.644396156
TG(i-24:0/i-18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,138.34528,5.85440509
TG(i-12:0/a-21:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,138.34544,4.644396156
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TG(i-18:0/a-17:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,138.3516,4.425300285
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TG(i-14:0/i-14:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,138.35446,5.254913494
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TG(i-21:0/i-12:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,138.37134,5.254913494
TG(a-13:0/i-20:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,138.37152,4.134249315
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TG(i-12:0/a-17:0/i-16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,138.37642,4.134249315
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TG(a-17:0/i-15:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C,138.38252,4.410247877
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TG(i-15:0/i-20:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,138.45663,4.425300285
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TG(i-15:0/i-18:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,138.46318,4.410247877
TG(i-22:0/i-14:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,138.47449,4.410247877
TG(i-22:0/a-17:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,138.47609,4.445823282
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TG(a-17:0/i-22:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,138.49455,4.644396156
TG(i-19:0/a-13:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,138.49545,4.410247877
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TG(i-12:0/a-25:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC,138.50163,4.644396156
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TG(i-20:0/a-17:0/18:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,138.5097,4.644396156
TG(i-24:0/i-17:0/20:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,138.51056,4.445823282
TG(i-13:0/i-22:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,138.51329,4.410247877
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TG(i-12:0/i-24:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,138.51929,4.410247877
TG(18:1(11Z)/16:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCC,138.52267,8.650314063
TG(a-17:0/i-20:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,138.52556,4.425300285
TG(i-19:0/a-13:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,138.52615,4.410247877
TG(i-18:0/i-14:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,138.52672,5.254913494
TG(18:1(11Z)/22:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,138.52768,10.20911485
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TG(i-15:0/i-22:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,138.54411,4.410247877
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TG(i-14:0/i-16:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,138.55476,5.254913494
TG(i-22:0/i-19:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,138.55667,4.644396156
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TG(i-22:0/i-13:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,138.75899,4.410247877
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TG(i-17:0/a-13:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,139.43556,5.254913494
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TG(a-25:0/i-12:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,139.44905,4.644396156
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TG(a-13:0/i-24:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,139.45949,4.644396156
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TG(a-21:0/i-12:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,139.49077,4.410247877
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TG(a-17:0/i-22:0/20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,139.50142,4.445823282
TG(i-12:0/i-22:0/8:0),[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,139.51149,5.254913494
TG(a-13:0/i-19:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,139.51375,4.410247877
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TG(i-16:0/a-15:0/i-18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,139.525,4.134249315
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TG(16:1(9Z)/20:0/18:1(11Z)),[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,139.52715,8.424472064
TG(16:1(9Z)/24:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,139.52942,10.20911485
TG(a-13:0/i-18:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,139.53622,4.410247877
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TG(a-15:0/i-19:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,140.51999,4.410247877
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TG(a-17:0/i-19:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,140.52187,4.425300285
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TG(a-17:0/a-21:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,140.52263,5.488029122
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TG(i-12:0/i-15:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,140.52808,5.254913494
TG(i-13:0/i-15:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,140.52829,5.254913494
TG(i-17:0/i-17:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,140.53268,4.410247877
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TG(i-14:0/a-17:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC,140.53656,5.254913494
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TG(i-15:0/i-21:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,140.53882,4.410247877
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TG(a-13:0/i-19:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC(C)C,140.82295,4.410247877
TG(a-15:0/i-12:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,140.82567,5.254913494
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TG(i-14:0/a-15:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,140.83241,5.254913494
TG(a-15:0/i-20:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C,140.83615,4.425300285
TG(a-15:0/i-21:0/18:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,140.83865,4.425300285
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TG(14:1(9Z)/16:0/22:1(13Z)),[H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCC,140.86383,8.395817876
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TG(a-15:0/i-18:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C,140.87988,4.410247877
TG(i-17:0/a-13:0/15:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,140.8846,4.410247877
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TG(14:1(9Z)/18:0/24:1(15Z)),[H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,140.8874,8.841566741
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TG(14:1(9Z)/18:0/20:1(11Z))[iso6],[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCC,140.89958,8.395817876
TG(i-15:0/i-21:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,140.90144,4.410247877
TG(i-12:0/a-13:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,140.90607,4.134249315
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TG(i-15:0/a-15:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,140.91655,4.410247877
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TG(a-21:0/i-14:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,140.92764,4.425300285
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TG(i-14:0/i-15:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,140.93558,4.134249315
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TG(14:1(9Z)/20:0/20:1(11Z))[iso6],[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCC,140.94487,8.424472064
TG(18:1(9Z)/O-18:0/18:1(9Z)),[H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OCCCCCCCCCCCCCCCCCC,140.9473,6.964883208
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TG(14:1(9Z)/15:0/20:1(11Z))[iso6],[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC,140.94867,7.431530952
TG(i-17:0/i-19:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,140.95134,4.410247877
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TG(a-15:0/i-22:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,140.9587,4.425300285
TG(a-13:0/i-14:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,140.96017,4.134249315
TG(i-21:0/i-15:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,140.96901,4.410247877
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TG(i-14:0/i-13:0/22:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,140.97086,4.410247877
TG(a-15:0/a-17:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC,140.9726,4.353744537
TG(i-12:0/a-15:0/i-20:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,140.9739,4.134249315
TG(a-15:0/i-14:0/8:0)[rac],[H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,140.97783,5.254913494
TG(i-12:0/a-13:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,140.98352,5.254913494
TG(18:1(9Z)/24:0/18:1(9Z)),[H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC,140.9868,8.280465752
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TG(i-19:0/i-13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,141.00163,4.410247877
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TG(i-21:0/i-13:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,141.0018,4.410247877
TG(a-15:0/a-21:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,141.00433,4.353744537
TG(14:1(9Z)/17:0/20:1(11Z))[iso6],[H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCC,141.0055,7.431530952
TG(a-13:0/i-12:0/13:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)C,141.0123,5.254913494
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TG(i-13:0/i-14:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,144.77296,4.410247877
TG(i-19:0/a-13:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)CC,144.77449,4.134249315
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TG(i-22:0/i-19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,144.77766,4.644396156
TG(i-20:0/i-19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,144.78256,4.425300285
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TG(a-17:0/i-14:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C,144.79138,4.425300285
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TG(i-18:0/i-19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,144.79459,4.410247877
TG(i-22:0/a-15:0/16:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC,144.80511,4.425300285
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TG(i-20:0/i-14:0/19:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,144.80681,4.410247877
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TG(i-16:0/i-17:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,150.05707,4.410247877
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TG(i-16:0/i-20:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,150.26979,4.410247877
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TG(i-20:0/i-16:0/17:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,150.31407,4.410247877
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TG(i-22:0/i-14:0/15:0),[H][C@@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,150.3579,4.410247877
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TG(i-22:0/i-22:0/14:0),[H][C@@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,150.38441,4.644396156
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TG(i-14:0/i-15:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,150.39174,4.410247877
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TG(i-16:0/i-19:0/16:0),[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,152.66023,4.410247877
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TG(i-22:0/i-14:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,155.3151,4.410247877
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TG(a-13:0/10:0/i-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,155.40584,4.410247877
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TG(i-18:0/i-13:0/10:0),[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,155.4252,5.254913494
TG(i-24:0/i-17:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC(C)C,155.42632,4.353744537
TG(a-15:0/a-15:0/22:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC,155.43416,4.425300285
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TG(20:0/14:1(9Z)/24:1(15Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC,155.46397,8.650314063
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TG(i-15:0/i-21:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,155.48245,4.410247877
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TG(i-13:0/i-19:0/10:0),[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,155.50131,5.254913494
TG(i-13:0/i-18:0/10:0),[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,155.50494,5.254913494
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TG(a-15:0/a-21:0/17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)CC,155.53091,4.425300285
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TG(22:0/16:1(9Z)/22:1(13Z)),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC,155.57507,8.280465752
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TG(i-20:0/i-13:0/10:0),[H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,155.59386,5.254913494
TG(i-14:0/i-14:0/13:0),[H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,155.60884,5.254913494
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TG(i-24:0/i-15:0/12:0),[H][C@@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,155.62234,4.410247877
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TG(a-13:0/a-13:0/19:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC,155.63426,4.410247877
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TG(i-19:0/i-13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,168.69466,4.134249315
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TG(i-19:0/i-15:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,170.86421,4.134249315
TG(i-18:0/i-15:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,170.86943,4.134249315
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TG(a-25:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,170.89906,5.85440509
TG(i-13:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,170.90108,5.254913494
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TG(a-25:0/18:0/i-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,170.91202,5.481324345
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TG(a-17:0/19:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,170.91508,4.410247877
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TG(18:0/22:1(13Z)/20:2n6),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,170.9199,7.399930805
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TG(a-25:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,170.93036,4.445823282
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TG(a-17:0/12:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,170.93842,4.644396156
TG(a-15:0/14:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,170.94028,5.254913494
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TG(a-21:0/10:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,170.94554,4.410247877
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TG(a-25:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,170.97096,4.644396156
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TG(i-17:0/i-24:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,170.9809,4.148359224
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TG(i-24:0/i-13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,170.99117,4.353744537
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TG(a-15:0/14:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,170.99518,4.644396156
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TG(a-17:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,171.00253,4.410247877
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TG(a-25:0/8:0/i-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,171.01176,4.425300285
TG(a-25:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,171.0139,4.445823282
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TG(a-25:0/17:0/i-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,171.01923,5.481324345
TG(a-15:0/12:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,171.02742,5.254913494
TG(a-15:0/21:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.0297,4.425300285
TG(i-21:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,171.03706,5.254913494
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TG(a-15:0/10:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,171.0524,5.254913494
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TG(a-25:0/16:0/i-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,171.06253,5.85440509
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TG(a-15:0/20:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,171.08502,4.425300285
TG(i-21:0/18:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,171.0853,4.410247877
TG(a-17:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.09123,4.425300285
TG(a-15:0/19:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,171.09413,4.410247877
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TG(a-21:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.12064,4.644396156
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TG(a-15:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,171.12903,4.410247877
TG(a-15:0/15:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,171.13179,4.410247877
TG(a-25:0/22:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.13374,5.481324345
TG(a-21:0/18:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,171.14215,4.425300285
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TG(a-21:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,171.14372,4.410247877
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TG(20:0/20:1(11Z)/20:2n6),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,171.15517,7.399930805
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TG(22:0/20:1(11Z)/20:2n6),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,171.16422,9.744470567
TG(a-17:0/14:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,171.1658,4.644396156
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TG(i-15:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.16893,4.410247877
TG(a-17:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.16972,4.410247877
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TG(a-25:0/10:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,171.17717,4.410247877
TG(a-17:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,171.17805,4.410247877
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TG(a-21:0/12:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,171.18567,4.410247877
TG(a-15:0/16:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,171.19286,4.410247877
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TG(i-22:0/i-24:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,171.19502,4.167598113
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TG(a-17:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,171.20015,4.410247877
TG(a-17:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,171.20108,4.410247877
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TG(i-15:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.20236,4.410247877
TG(a-15:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,171.20622,4.410247877
TG(a-17:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,171.21298,4.410247877
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TG(a-15:0/17:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,171.21883,4.410247877
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TG(a-17:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,171.22356,4.410247877
TG(a-21:0/13:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,171.229,4.410247877
TG(18:0/20:1(11Z)/20:2n6),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,171.2323,7.730449736
TG(a-17:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,171.23296,4.410247877
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TG(a-21:0/17:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,171.23523,4.425300285
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TG(i-15:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,171.24727,4.410247877
TG(16:0/20:1(11Z)/20:2n6),[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,171.24745,7.901364565
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TG(a-25:0/12:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,171.25078,4.410247877
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TG(i-17:0/i-21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,171.25539,4.134249315
TG(i-14:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.2605,4.410247877
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TG(i-14:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.28178,4.410247877
TG(a-25:0/19:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,171.28574,5.481324345
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TG(a-15:0/22:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.29724,4.410247877
TG(a-15:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,171.30301,4.410247877
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TG(a-15:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,171.31198,4.410247877
TG(i-14:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,171.32077,4.410247877
TG(a-21:0/16:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,171.32576,4.410247877
TG(a-15:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.3281,4.410247877
TG(a-15:0/18:0/a-17:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,171.32979,4.410247877
TG(a-21:0/20:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,171.33533,4.644396156
TG(a-17:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,171.33884,4.410247877
TG(a-15:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,171.34459,4.410247877
TG(a-21:0/21:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.34608,4.644396156
TG(i-19:0/i-24:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,171.34677,4.353744537
TG(a-15:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,171.35417,4.410247877
TG(a-21:0/16:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,171.36742,4.410247877
TG(i-21:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.37231,4.644396156
TG(a-15:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,171.37354,4.410247877
TG(a-21:0/18:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,171.3802,4.425300285
TG(a-21:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,171.3856,4.410247877
TG(a-21:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,171.38647,4.425300285
TG(a-21:0/17:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,171.39014,4.410247877
TG(a-17:0/8:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,171.39198,5.254913494
TG(a-25:0/20:0/i-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,171.39882,5.481324345
TG(i-21:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.40506,4.425300285
TG(a-25:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,171.4136,4.410247877
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TG(i-19:0/i-21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,171.4151,4.134249315
TG(i-22:0/i-21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,171.42839,4.353744537
TG(a-21:0/12:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,171.43706,4.410247877
TG(a-17:0/18:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,171.43707,4.410247877
TG(i-18:0/i-21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,171.44064,4.134249315
TG(i-24:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.44305,4.445823282
TG(i-18:0/i-24:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,171.45532,4.148359224
TG(a-17:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,171.45888,4.410247877
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TG(a-25:0/21:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.47487,5.481324345
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TG(a-21:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,171.57195,4.410247877
TG(i-20:0/i-21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,171.5874,4.148359224
TG(i-21:0/i-18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,171.5882,4.134249315
TG(i-24:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,171.60326,4.644396156
TG(a-25:0/14:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,171.60469,4.410247877
TG(i-17:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.61969,4.410247877
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TG(a-17:0/16:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,171.66417,4.410247877
TG(i-21:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,171.67691,4.410247877
TG(i-20:0/i-24:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,171.68013,4.353744537
TG(i-24:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,171.68289,4.644396156
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TG(a-25:0/15:0/i-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,171.70702,5.85440509
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TG(i-21:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,171.75174,4.410247877
TG(a-15:0/12:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC,171.75696,4.410247877
TG(i-14:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,171.75935,5.254913494
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TG(i-22:0/i-13:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,171.76723,4.353744537
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TG(i-15:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,171.79135,5.254913494
TG(i-21:0/i-22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,171.82233,4.353744537
TG(a-25:0/22:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.82953,5.481324345
TG(a-25:0/17:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,171.84123,5.85440509
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TG(i-17:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,171.87337,5.254913494
TG(i-17:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,171.87518,4.410247877
TG(i-22:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,171.88464,5.254913494
TG(a-17:0/10:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,171.89294,4.410247877
TG(i-24:0/i-18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,171.89366,4.148359224
TG(i-13:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,171.89404,5.121939257
TG(i-21:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,171.89407,4.410247877
TG(i-24:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,171.89839,4.410247877
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TG(i-21:0/i-13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,171.91423,4.134249315
TG(a-21:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,171.92233,4.410247877
TG(a-13:0/14:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,171.92908,4.410247877
TG(i-19:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,171.92937,5.254913494
TG(i-14:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,171.93033,5.254913494
TG(i-21:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,171.93063,4.148359224
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TG(a-17:0/20:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,171.93721,4.410247877
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TG(i-24:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,171.9511,4.425300285
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TG(a-25:0/18:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,171.958,5.85440509
TG(i-22:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,171.96016,4.644396156
TG(i-13:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,171.96454,4.410247877
TG(a-25:0/16:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,171.9726,4.445823282
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TG(i-13:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.00124,5.254913494
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TG(i-18:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,172.00623,5.254913494
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TG(i-21:0/i-21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,172.01422,4.353744537
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TG(a-25:0/19:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.06096,5.481324345
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TG(a-25:0/22:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.13257,5.481324345
TG(i-22:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.13841,4.644396156
TG(i-24:0/i-19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,172.14014,4.353744537
TG(a-25:0/22:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.14752,5.85440509
TG(a-21:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,172.17612,4.410247877
TG(a-25:0/21:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.18015,5.481324345
TG(i-22:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.18332,4.425300285
TG(i-15:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,172.18457,4.410247877
TG(i-21:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,172.18723,4.425300285
TG(i-21:0/i-17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,172.194,4.134249315
TG(i-17:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.20786,5.254913494
TG(i-20:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,172.20892,5.254913494
TG(a-25:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,172.22346,4.410247877
TG(i-15:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.22395,4.410247877
TG(a-17:0/14:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,172.2288,4.425300285
TG(a-25:0/21:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.2308,4.445823282
TG(a-25:0/22:0/i-20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.23224,5.481324345
TG(a-25:0/19:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.23256,5.85440509
"TG(24:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,172.23834,11.6237618
"TG(24:0/20:3n6/18:3(6Z,9Z,12Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,172.2462,11.6237618
TG(a-21:0/13:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.24916,4.410247877
TG(i-24:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.25826,4.410247877
TG(i-21:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,172.26962,4.410247877
TG(a-21:0/15:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,172.2792,4.410247877
TG(a-25:0/20:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,172.28497,5.481324345
TG(a-15:0/10:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,172.2928,5.254913494
TG(i-24:0/i-24:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,172.29292,5.488029122
TG(i-15:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.29951,5.254913494
TG(i-15:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,172.30878,4.410247877
TG(a-17:0/15:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,172.32082,4.410247877
TG(i-19:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.32396,4.410247877
TG(a-21:0/10:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,172.32607,4.644396156
TG(i-16:0/8:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCC,172.32838,5.254913494
TG(i-19:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.3291,4.410247877
TG(i-14:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.32996,4.410247877
TG(i-22:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.3444,4.410247877
TG(a-17:0/13:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.35704,4.410247877
TG(i-21:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,172.39467,5.254913494
TG(i-13:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,172.40738,5.254913494
TG(i-24:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,172.42554,4.425300285
TG(i-19:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.42719,4.425300285
TG(i-15:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.45317,4.410247877
TG(i-24:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,172.4559,4.353744537
TG(24:0/20:3n6/20:3n6),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,172.45726,10.88302135
TG(i-22:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.45938,4.644396156
TG(i-19:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.46886,4.410247877
TG(i-24:0/i-21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,172.46947,4.167598113
TG(i-24:0/i-22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,172.46973,4.167598113
TG(i-21:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.47295,4.410247877
TG(i-19:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.47409,4.410247877
TG(i-21:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.47627,4.410247877
TG(i-15:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.48393,4.410247877
"TG(24:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,172.48416,8.827061951
TG(i-24:0/18:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,172.48688,4.425300285
TG(a-25:0/13:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.49731,4.644396156
TG(i-17:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.50484,4.410247877
TG(a-25:0/18:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,172.51837,5.481324345
TG(i-24:0/i-13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,172.53061,4.353744537
"TG(24:0/18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,172.53914,8.827061951
TG(a-13:0/22:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.54103,4.644396156
TG(i-21:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,172.54256,4.410247877
TG(a-25:0/19:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.54541,4.445823282
TG(i-14:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.5472,5.254913494
TG(i-18:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.54907,4.410247877
TG(i-14:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,172.55978,4.410247877
TG(a-13:0/19:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,172.5635,4.425300285
TG(a-13:0/21:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.56935,4.644396156
TG(i-24:0/i-15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,172.58485,4.167598113
TG(a-25:0/17:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,172.60681,5.481324345
TG(a-13:0/16:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,172.60992,4.410247877
TG(i-17:0/i-24:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,172.61278,4.353744537
TG(a-13:0/15:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,172.61441,4.410247877
TG(i-18:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.62544,4.410247877
TG(a-25:0/15:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,172.62874,4.445823282
TG(a-13:0/20:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,172.63153,4.644396156
TG(a-25:0/14:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,172.63402,4.425300285
TG(i-14:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,172.63742,4.410247877
TG(i-20:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.63988,4.410247877
TG(a-13:0/18:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,172.64032,4.425300285
TG(a-13:0/17:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,172.64423,4.410247877
TG(i-14:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.64708,4.410247877
TG(i-14:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.65831,4.410247877
TG(i-24:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,172.66165,4.410247877
TG(i-20:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.67902,4.425300285
TG(a-25:0/16:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,172.70439,5.481324345
TG(i-21:0/i-13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,172.70587,4.134249315
TG(i-19:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.7133,4.410247877
TG(i-14:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,172.7238,5.254913494
TG(a-25:0/19:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.73917,5.85440509
TG(i-21:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,172.73991,4.410247877
TG(i-17:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.73999,5.254913494
TG(i-22:0/i-24:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,172.74501,4.167598113
TG(i-24:0/10:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.75693,4.425300285
TG(i-19:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.76486,5.254913494
TG(i-15:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,172.77245,4.410247877
TG(a-21:0/22:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.77382,5.85440509
TG(i-18:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.78271,4.410247877
TG(a-25:0/13:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.78815,4.644396156
TG(a-25:0/20:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,172.79329,5.481324345
TG(i-20:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.7978,4.425300285
TG(a-15:0/20:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,172.80681,4.644396156
TG(i-24:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,172.80772,4.410247877
TG(i-15:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,172.81686,5.254913494
TG(a-15:0/15:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,172.82022,4.410247877
TG(i-24:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,172.82634,4.425300285
TG(a-25:0/17:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,172.83594,4.445823282
TG(a-25:0/13:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.83643,4.445823282
TG(i-22:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.85583,4.410247877
TG(a-15:0/21:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.86873,4.445823282
TG(i-18:0/10:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.86919,5.254913494
TG(i-17:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,172.8814,4.410247877
TG(i-24:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,172.88309,4.410247877
TG(a-25:0/16:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,172.8851,4.445823282
TG(a-25:0/18:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,172.89656,4.445823282
TG(i-16:0/22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.89702,4.410247877
TG(i-19:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.90173,4.410247877
TG(i-13:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,172.90623,5.254913494
TG(a-25:0/21:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,172.90941,5.481324345
TG(a-15:0/22:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,172.9204,4.445823282
TG(i-22:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.92581,4.410247877
TG(a-15:0/19:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,172.92693,4.644396156
TG(a-25:0/13:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,172.9378,4.425300285
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TG(a-15:0/18:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,172.96199,4.644396156
TG(a-15:0/17:0/a-21:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,172.96326,4.425300285
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TG(i-21:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,172.9937,4.410247877
TG(i-18:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,172.99487,4.410247877
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TG(i-18:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,173.00581,4.410247877
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TG(i-24:0/i-24:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,173.07349,4.328170419
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TG(i-22:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,173.07724,4.425300285
TG(a-21:0/14:0/a-25:0)[rac],[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,173.08237,5.85440509
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TG(i-17:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,173.12268,4.410247877
TG(a-25:0/16:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,173.12827,4.445823282
TG(i-14:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,173.12856,4.410247877
TG(a-25:0/17:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,173.14456,4.445823282
TG(i-15:0/i-19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,173.15279,4.134249315
TG(i-17:0/i-21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,173.15405,4.134249315
TG(a-25:0/13:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,173.15427,4.644396156
TG(i-17:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,173.15948,4.410247877
TG(a-25:0/15:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,173.16469,5.85440509
TG(i-17:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,173.17387,4.410247877
TG(a-25:0/13:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,173.17441,4.410247877
TG(a-25:0/20:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,173.18126,5.481324345
TG(a-25:0/18:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,173.20001,5.85440509
TG(i-20:0/19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,173.20459,4.410247877
TG(i-22:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,173.20613,4.410247877
TG(a-21:0/13:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,173.22423,4.425300285
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TG(i-22:0/i-21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,173.2435,4.353744537
TG(a-25:0/15:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,173.2619,4.644396156
TG(i-18:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,173.27652,4.410247877
TG(i-20:0/21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,173.27846,4.425300285
TG(i-21:0/i-19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,173.29416,4.148359224
TG(a-25:0/21:0/i-20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,173.29681,5.481324345
TG(i-21:0/10:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC,173.29964,5.254913494
TG(a-25:0/12:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,173.32166,4.410247877
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TG(a-25:0/19:0/i-20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,173.3287,5.481324345
TG(i-21:0/i-15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,173.34435,4.148359224
TG(i-20:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,173.35252,4.410247877
TG(i-21:0/i-21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,173.35768,4.167598113
TG(i-22:0/i-21:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,173.36273,5.138296261
TG(a-25:0/18:0/i-20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,173.36621,5.481324345
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TG(i-17:0/i-17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,173.37737,4.134249315
TG(i-16:0/13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,173.38998,5.254913494
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TG(i-22:0/i-15:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,173.45132,4.353744537
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TG(i-15:0/i-18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,173.46402,4.134249315
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TG(i-19:0/i-19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,173.99525,4.134249315
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TG(i-13:0/12:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.01065,5.254913494
TG(i-24:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.01384,4.410247877
TG(a-25:0/20:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,174.03503,5.85440509
TG(i-14:0/18:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,174.04079,4.410247877
TG(i-18:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.04402,4.410247877
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TG(i-21:0/10:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,174.05336,4.410247877
TG(i-18:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.0607,4.410247877
TG(i-22:0/i-13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,174.10654,4.148359224
TG(i-19:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.10834,4.410247877
TG(i-19:0/i-22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,174.1136,4.148359224
TG(i-19:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.12126,4.410247877
TG(i-16:0/22:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,174.12207,4.410247877
TG(i-20:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.12396,4.410247877
TG(i-22:0/i-21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,174.1267,5.488029122
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TG(i-20:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.15802,4.410247877
TG(i-19:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.16121,4.410247877
TG(a-21:0/22:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,174.16832,4.445823282
TG(i-15:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,174.16885,5.254913494
TG(i-24:0/i-15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,174.17378,4.353744537
TG(i-22:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,174.17381,4.425300285
TG(i-21:0/i-17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,174.19098,4.134249315
TG(i-19:0/i-18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,174.20248,4.134249315
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TG(i-24:0/i-19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,174.22595,4.353744537
TG(i-18:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.22635,4.410247877
TG(a-25:0/12:0/i-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.2537,4.445823282
TG(i-18:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.25461,4.410247877
TG(i-17:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.2671,5.254913494
TG(i-19:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.26947,4.410247877
TG(i-22:0/i-24:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,174.27258,5.138296261
TG(i-14:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.30534,5.254913494
TG(i-21:0/12:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.31244,4.410247877
TG(i-14:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,174.31946,5.254913494
TG(i-21:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,174.32486,4.644396156
TG(i-22:0/i-19:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,174.33835,5.488029122
TG(i-18:0/i-19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,174.34308,4.134249315
TG(i-21:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,174.35246,4.410247877
TG(i-15:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.35909,4.410247877
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TG(i-16:0/18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,174.36186,4.410247877
TG(i-21:0/i-15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,174.3639,4.134249315
TG(i-22:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,174.39615,4.410247877
TG(a-21:0/12:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.41273,4.410247877
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TG(i-14:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.41878,5.254913494
TG(i-21:0/i-22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,174.42241,5.488029122
TG(a-17:0/14:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,174.4464,4.410247877
TG(i-21:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,174.44775,4.425300285
TG(i-21:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,174.44902,4.644396156
TG(a-17:0/12:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.45,5.254913494
TG(a-21:0/20:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,174.45296,4.445823282
TG(a-21:0/14:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,174.45773,4.410247877
TG(i-16:0/19:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,174.4586,4.410247877
TG(a-17:0/21:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,174.4611,4.410247877
TG(i-21:0/i-18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,174.46155,4.353744537
TG(i-15:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.4777,5.254913494
TG(i-18:0/i-22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,174.48294,4.134249315
TG(i-18:0/i-18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,174.48405,4.134249315
TG(a-17:0/19:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,174.49792,4.410247877
TG(i-24:0/i-22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,174.49844,5.138296261
TG(i-20:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.49847,4.410247877
TG(i-20:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.49887,4.410247877
TG(a-21:0/10:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,174.51286,4.410247877
TG(a-25:0/8:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,174.51358,4.410247877
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TG(i-22:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.51906,4.410247877
TG(i-14:0/i-19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,174.52168,4.134249315
TG(i-20:0/i-19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,174.52303,4.134249315
TG(i-21:0/i-21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,174.52357,4.167598113
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TG(a-17:0/10:0/i-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,174.52888,5.254913494
TG(i-19:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.53828,4.410247877
TG(a-25:0/8:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,174.54091,4.410247877
TG(i-24:0/i-18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,174.54195,5.488029122
TG(i-14:0/i-22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,174.55084,4.134249315
TG(i-15:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,174.55319,4.134249315
TG(i-14:0/i-18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,174.55554,4.134249315
TG(i-15:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,174.56233,4.410247877
TG(i-24:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,174.56584,5.488029122
TG(i-18:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.56638,5.254913494
TG(a-25:0/8:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,174.5827,4.410247877
TG(a-25:0/8:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,174.58702,4.644396156
TG(i-13:0/14:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,174.59764,5.254913494
TG(a-21:0/21:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,174.59882,4.644396156
TG(a-21:0/19:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,174.60426,4.425300285
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TG(i-16:0/21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,174.6082,4.410247877
TG(i-21:0/i-20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,174.6168,4.167598113
TG(i-19:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,174.62016,4.134249315
TG(i-20:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.62032,4.410247877
TG(i-15:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,174.62314,4.410247877
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TG(i-22:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,174.67126,4.148359224
TG(i-17:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,174.67499,4.134249315
TG(i-24:0/i-24:0/i-24:0),[H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,174.68452,4.045888036
TG(i-20:0/i-21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,174.68573,4.167598113
TG(i-17:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.6899,4.410247877
TG(i-20:0/i-18:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,174.70662,4.134249315
TG(i-22:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,174.70732,4.167598113
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TG(i-24:0/i-21:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,174.71118,5.138296261
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TG(i-24:0/i-24:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,174.7437,4.045888036
TG(i-16:0/16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.74687,4.410247877
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TG(i-17:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.75368,4.410247877
TG(i-18:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,174.75604,4.410247877
TG(i-20:0/i-13:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,174.76279,4.134249315
TG(i-16:0/17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.76848,4.410247877
TG(i-14:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,174.77652,4.134249315
TG(a-25:0/8:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,174.77855,4.410247877
TG(i-16:0/12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.78444,5.254913494
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TG(i-18:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,174.84322,4.134249315
TG(i-20:0/i-22:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,174.85254,4.148359224
TG(i-22:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,174.8556,4.410247877
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TG(i-19:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,174.88327,4.410247877
TG(i-24:0/i-24:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,174.88449,4.328170419
TG(i-22:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,174.8846,4.410247877
TG(i-21:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,174.89214,5.488029122
TG(i-21:0/i-21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,174.89293,5.488029122
TG(a-21:0/18:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,174.89862,4.425300285
TG(i-21:0/i-13:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,174.93369,4.134249315
TG(i-21:0/12:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,174.95691,4.410247877
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TG(i-20:0/i-20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,174.95987,4.134249315
TG(i-21:0/i-24:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,174.96706,5.138296261
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TG(i-18:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,174.96747,4.410247877
TG(i-19:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,174.97269,4.410247877
TG(i-24:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,174.98456,5.138296261
TG(i-24:0/i-20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,175.01814,5.138296261
TG(i-20:0/i-24:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,175.022,5.488029122
TG(a-25:0/8:0/i-20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,175.0346,4.425300285
TG(i-16:0/i-21:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,175.0388,4.134249315
TG(a-17:0/18:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,175.0412,4.410247877
TG(i-24:0/i-21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,175.04507,5.488029122
TG(a-21:0/17:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,175.04517,4.410247877
TG(a-21:0/19:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,175.0554,4.445823282
TG(a-21:0/16:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,175.06953,4.410247877
TG(i-21:0/i-16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,175.07945,4.134249315
TG(i-14:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.09082,4.410247877
TG(i-21:0/i-13:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,175.1258,4.148359224
TG(i-20:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.13942,4.410247877
TG(i-24:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.14978,4.644396156
TG(i-20:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,175.16225,4.410247877
TG(a-21:0/18:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,175.17313,4.644396156
TG(i-24:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,175.17706,4.410247877
TG(a-17:0/17:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,175.1955,4.410247877
TG(i-16:0/18:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,175.2037,4.410247877
TG(i-22:0/i-22:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,175.2126,5.138296261
TG(i-21:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,175.21564,4.410247877
TG(a-17:0/16:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,175.23009,4.410247877
TG(i-17:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,175.2375,4.410247877
TG(i-18:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.24634,4.410247877
TG(i-19:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.26982,4.410247877
TG(i-17:0/i-19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,175.273,4.134249315
TG(a-21:0/21:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,175.28784,4.445823282
TG(a-21:0/17:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,175.2888,4.644396156
TG(i-22:0/i-18:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,175.31377,4.167598113
TG(i-21:0/i-21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,175.31439,4.353744537
TG(i-22:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,175.31471,4.410247877
TG(a-21:0/16:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,175.31769,4.644396156
TG(i-22:0/i-15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,175.3615,4.353744537
TG(i-24:0/i-24:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,175.36537,5.138296261
TG(i-22:0/i-19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,175.37111,4.353744537
TG(a-21:0/19:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,175.37569,4.644396156
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TG(i-21:0/i-13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,175.39761,4.134249315
TG(i-24:0/i-21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,175.40257,5.138296261
TG(a-21:0/15:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,175.41705,4.644396156
TG(i-22:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.42233,4.425300285
TG(i-15:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.43536,4.410247877
TG(a-21:0/21:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,175.44122,4.445823282
TG(i-17:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.5206,4.410247877
TG(i-24:0/i-17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,175.53448,5.488029122
TG(a-21:0/18:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,175.54147,4.644396156
TG(i-24:0/i-13:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,175.54721,4.353744537
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TG(i-24:0/i-13:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,175.57814,4.148359224
TG(a-21:0/17:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,175.58966,4.644396156
TG(i-16:0/20:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.59639,4.410247877
TG(i-20:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,175.60199,4.410247877
TG(i-24:0/i-18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,175.60771,4.167598113
TG(i-24:0/i-21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,175.61516,5.488029122
TG(a-25:0/15:0/i-20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,175.61638,4.445823282
TG(i-24:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,175.62093,4.410247877
TG(i-24:0/i-13:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,175.62375,4.167598113
TG(i-24:0/i-18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,175.62749,4.353744537
TG(i-16:0/15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,175.65062,4.410247877
TG(i-19:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,175.66048,4.410247877
TG(i-16:0/16:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,175.66302,4.410247877
TG(i-24:0/i-20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,175.6655,5.488029122
TG(a-21:0/16:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,175.6683,4.425300285
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TG(i-22:0/i-20:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,175.68826,5.488029122
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TG(i-18:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,175.7118,4.410247877
TG(i-16:0/17:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,175.73508,4.410247877
TG(i-16:0/14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,175.7359,5.254913494
TG(i-16:0/i-24:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,175.74649,4.134249315
TG(i-17:0/i-22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,175.76982,4.148359224
TG(i-19:0/i-19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,175.7705,4.134249315
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TG(a-21:0/19:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,175.78406,4.644396156
TG(a-25:0/14:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,175.7885,4.445823282
TG(a-21:0/20:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.78915,4.644396156
TG(i-24:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,175.80312,4.445823282
TG(i-17:0/i-18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,175.811,4.134249315
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TG(i-20:0/20:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.81978,4.410247877
TG(a-17:0/20:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.82108,4.410247877
TG(i-24:0/i-22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,175.82646,5.138296261
TG(i-22:0/i-22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,175.83011,4.167598113
TG(a-21:0/20:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,175.83078,4.445823282
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TG(i-24:0/i-22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,175.86302,4.167598113
TG(a-21:0/13:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,175.88274,4.410247877
TG(i-22:0/i-18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,175.9118,4.148359224
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TG(i-22:0/i-21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,175.93497,4.167598113
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TG(i-24:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,175.9403,4.445823282
TG(i-17:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,175.94511,4.410247877
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TG(i-21:0/i-24:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,175.9508,4.167598113
TG(a-21:0/21:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,175.95189,4.445823282
TG(a-21:0/13:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,175.96983,4.410247877
TG(a-21:0/18:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,175.98792,4.644396156
TG(i-21:0/i-17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,176.0097,4.353744537
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TG(a-21:0/20:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,176.01305,4.445823282
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TG(a-21:0/17:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,176.03732,4.425300285
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TG(i-24:0/i-13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,176.05676,4.148359224
TG(a-21:0/16:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,176.05835,4.425300285
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TG(i-24:0/i-16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,176.0737,4.134249315
TG(i-19:0/i-22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,176.07997,4.353744537
TG(i-22:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.08946,4.644396156
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TG(a-21:0/13:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,176.09721,4.410247877
TG(i-22:0/i-13:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,176.09727,4.148359224
TG(i-24:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,176.10445,4.644396156
TG(i-19:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.11362,4.410247877
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TG(i-22:0/i-22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,176.12617,5.488029122
TG(a-21:0/14:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,176.12772,4.410247877
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TG(i-17:0/i-17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,176.14384,4.134249315
TG(a-17:0/14:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,176.14497,4.410247877
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TG(i-21:0/i-19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,176.15022,4.353744537
TG(i-18:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.15341,4.410247877
TG(a-21:0/15:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.17209,4.425300285
TG(i-19:0/i-13:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,176.18019,4.134249315
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TG(i-22:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.19785,4.410247877
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TG(a-21:0/15:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.22542,4.410247877
TG(i-21:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,176.22934,4.410247877
TG(i-22:0/i-13:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,176.23676,4.134249315
TG(i-22:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,176.23943,5.138296261
TG(i-22:0/i-24:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,176.24074,5.138296261
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TG(a-21:0/15:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.25937,4.425300285
TG(a-17:0/15:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.2601,4.410247877
TG(i-19:0/i-18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,176.26064,4.134249315
TG(i-22:0/i-18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,176.28,4.167598113
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TG(a-25:0/14:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,176.30376,5.85440509
TG(i-21:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,176.30688,4.410247877
TG(i-24:0/i-19:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,176.30728,5.138296261
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TG(i-17:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.33354,4.410247877
TG(i-24:0/i-13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,176.35204,4.134249315
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TG(i-19:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.368,4.425300285
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TG(i-19:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,176.3994,4.410247877
TG(i-22:0/i-21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,176.40211,5.488029122
TG(i-17:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,176.41252,4.410247877
TG(i-22:0/i-17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,176.41843,4.148359224
TG(i-24:0/i-15:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,176.42459,4.167598113
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TG(i-17:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,176.44048,4.410247877
TG(i-24:0/i-17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,176.44788,4.353744537
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TG(i-24:0/i-24:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,176.46503,5.488029122
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TG(a-25:0/14:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,176.48372,4.644396156
TG(i-20:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.49338,4.410247877
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TG(i-22:0/i-20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,176.4962,4.167598113
TG(i-22:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,176.50243,4.644396156
TG(i-21:0/i-15:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,176.50745,4.148359224
TG(i-18:0/i-19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,176.51143,4.134249315
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TG(i-24:0/22:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.52084,5.123833567
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TG(i-22:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,176.53253,4.425300285
TG(i-19:0/i-21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,176.53667,4.353744537
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TG(i-19:0/i-17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,176.54733,4.134249315
TG(i-21:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.54823,4.644396156
TG(i-20:0/i-19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,176.55453,4.353744537
TG(i-14:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.55768,5.254913494
TG(i-19:0/i-17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,176.55818,4.134249315
TG(i-21:0/14:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,176.5624,4.410247877
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TG(a-25:0/10:0/i-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,176.56912,4.644396156
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TG(i-21:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,176.573,4.425300285
TG(i-19:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,176.5781,4.425300285
TG(i-21:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,176.58221,4.425300285
TG(i-20:0/i-13:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,176.58269,4.134249315
TG(a-21:0/20:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,176.59157,4.644396156
TG(i-22:0/i-17:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,176.59492,4.167598113
TG(i-15:0/15:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.59906,5.254913494
TG(i-18:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.60616,4.425300285
TG(i-22:0/i-24:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,176.61667,5.488029122
TG(i-18:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,176.62003,4.410247877
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TG(i-20:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,176.63101,4.425300285
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TG(a-21:0/15:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.63887,4.410247877
TG(i-21:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,176.64984,4.644396156
TG(i-21:0/i-19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,176.66353,4.167598113
TG(i-19:0/i-15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,176.66579,4.134249315
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TG(i-20:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.6687,4.644396156
TG(a-25:0/10:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,176.67215,4.410247877
TG(i-18:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,176.68279,4.410247877
TG(i-20:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,176.68654,4.410247877
TG(a-25:0/13:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,176.68932,4.410247877
TG(i-22:0/i-21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,176.69215,4.167598113
TG(a-25:0/14:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,176.70042,4.644396156
TG(i-16:0/21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,176.70497,4.410247877
"TG(15:0/20:3n6/18:3(6Z,9Z,12Z))",[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,176.70633,8.405709267
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TG(i-20:0/i-19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,176.71986,4.148359224
TG(a-25:0/14:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,176.72017,4.644396156
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TG(i-18:0/i-17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,176.72191,4.134249315
TG(i-24:0/i-15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,176.72295,4.353744537
TG(i-24:0/19:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,176.72395,5.481324345
TG(i-24:0/i-21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,176.72995,4.167598113
TG(i-24:0/21:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCC,176.73468,5.123833567
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TG(a-25:0/22:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.73643,4.445823282
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TG(i-19:0/i-21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,176.74437,4.353744537
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TG(a-21:0/8:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,176.74826,4.410247877
TG(i-16:0/19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,176.75943,4.410247877
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TG(i-21:0/i-19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,176.75969,4.353744537
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TG(i-20:0/i-15:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,176.7723,4.148359224
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TG(i-21:0/10:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,176.82526,4.410247877
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TG(i-16:0/22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.83708,4.410247877
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TG(i-21:0/i-20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,176.84724,4.167598113
TG(22:0/20:3n6/20:3n6),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,176.86546,11.6237618
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TG(i-19:0/i-20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,176.87088,4.148359224
TG(i-19:0/i-15:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,176.87631,4.134249315
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TG(i-16:0/i-13:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,176.89209,4.312935472
TG(i-24:0/18:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC,176.8984,5.481324345
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TG(a-25:0/17:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,176.92305,4.425300285
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TG(a-25:0/16:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,176.92976,4.425300285
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TG(i-15:0/i-24:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,176.93466,4.134249315
TG(i-24:0/17:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCC,176.94385,5.481324345
TG(i-19:0/i-13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,176.94673,4.134249315
TG(i-24:0/i-20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,176.94814,4.167598113
TG(i-24:0/16:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC,176.95712,5.481324345
TG(i-22:0/i-15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,176.96147,4.148359224
TG(a-21:0/22:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,176.96788,4.644396156
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TG(i-21:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,176.97833,4.410247877
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TG(i-20:0/i-20:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,177.01262,4.167598113
TG(i-19:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,177.02318,4.167598113
TG(i-24:0/i-14:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,177.02547,4.167598113
TG(i-20:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.03041,4.410247877
TG(i-21:0/i-15:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,177.03558,4.353744537
TG(i-17:0/i-24:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,177.03757,4.148359224
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TG(i-24:0/i-17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,177.04466,4.167598113
TG(a-21:0/14:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,177.08144,4.425300285
TG(i-24:0/20:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC,177.08488,5.123833567
TG(i-20:0/i-17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,177.0923,4.134249315
TG(a-25:0/20:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,177.09395,4.644396156
TG(i-24:0/13:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC,177.09737,5.85440509
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TG(i-21:0/i-22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,177.10733,4.167598113
TG(i-19:0/i-24:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,177.1147,4.167598113
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TG(i-21:0/i-13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,177.12029,4.134249315
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TG(i-18:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.12173,4.410247877
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"TG(14:0/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC,177.15176,8.980572969
"TG(16:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,177.15749,9.221322834
TG(i-24:0/8:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,177.15903,4.644396156
TG(18:0/20:3n6/20:3n6),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,177.16093,9.221322834
TG(i-21:0/i-18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,177.16989,4.167598113
TG(i-17:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.17604,4.410247877
TG(i-20:0/i-22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,177.17674,4.167598113
"TG(20:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,177.1778,9.540125728
TG(i-18:0/i-13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,177.18074,4.134249315
TG(i-21:0/i-14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,177.182,4.134249315
TG(a-21:0/21:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,177.18239,4.425300285
TG(i-21:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.19336,4.425300285
TG(a-21:0/19:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,177.19704,4.410247877
TG(i-22:0/i-13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,177.20207,4.134249315
TG(a-25:0/14:0/i-20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,177.20549,4.445823282
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TG(i-24:0/22:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,177.21187,5.481324345
TG(a-17:0/22:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,177.21548,4.410247877
TG(i-24:0/15:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,177.21738,5.481324345
TG(i-21:0/i-20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,177.22418,4.167598113
"TG(14:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC,177.22763,9.221322834
TG(i-24:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.22913,4.425300285
TG(a-21:0/18:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.23747,4.410247877
TG(i-20:0/i-18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,177.23871,4.353744537
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"TG(22:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,177.24617,8.827061951
TG(i-22:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.25536,4.425300285
TG(i-24:0/22:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC,177.27031,5.481324345
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TG(i-19:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.2735,4.410247877
TG(20:0/20:3n6/20:3n6),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,177.27907,8.827061951
"TG(18:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,177.28537,8.827061951
TG(i-24:0/i-15:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,177.28731,4.353744537
TG(i-15:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.28831,4.410247877
TG(i-20:0/i-13:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,177.2929,4.134249315
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"TG(16:0/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC,177.33624,8.980572969
TG(i-21:0/i-17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,177.33652,4.148359224
TG(i-20:0/i-21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,177.33775,4.167598113
TG(i-21:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.34311,4.410247877
TG(i-22:0/i-17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,177.37486,4.353744537
"TG(14:0/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,177.38678,8.827061951
"TG(15:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,177.39143,8.405709267
TG(a-21:0/13:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,177.39227,4.410247877
TG(a-17:0/13:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,177.40308,4.410247877
TG(i-21:0/i-22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,177.40326,4.167598113
TG(a-25:0/14:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,177.41292,4.425300285
TG(i-21:0/i-18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,177.42519,4.353744537
TG(a-21:0/16:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.4275,4.410247877
TG(a-21:0/8:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,177.4305,4.410247877
TG(a-21:0/17:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.43434,4.410247877
TG(i-24:0/i-19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,177.43922,5.488029122
TG(i-17:0/i-20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,177.44696,4.134249315
TG(i-16:0/i-21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,177.4474,4.134249315
"TG(18:0/20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC,177.45624,9.425200522
"TG(14:0/20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))[iso3]",[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,177.457,8.980572969
TG(i-18:0/i-21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,177.45709,4.353744537
TG(a-21:0/12:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,177.46109,4.410247877
TG(i-15:0/i-21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,177.46631,4.134249315
TG(i-17:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.46742,4.410247877
TG(i-15:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.46884,4.410247877
TG(a-21:0/8:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,177.4763,4.410247877
"TG(14:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC,177.49133,9.425200522
TG(i-16:0/i-24:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,177.49199,4.148359224
TG(i-24:0/i-19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,177.49205,4.167598113
TG(i-14:0/i-17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,177.50124,4.134249315
TG(a-17:0/18:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.50977,4.410247877
TG(a-17:0/21:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,177.51385,4.410247877
TG(a-17:0/19:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,177.51485,4.410247877
TG(i-15:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.51657,4.410247877
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TG(i-21:0/i-16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,177.52708,4.134249315
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TG(a-17:0/12:0/i-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,177.52888,4.410247877
TG(i-18:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.53098,4.410247877
TG(i-24:0/i-19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,177.53218,4.167598113
TG(i-24:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.535,4.425300285
TG(a-15:0/22:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,177.54343,4.410247877
TG(a-21:0/8:0/i-16:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,177.54538,4.410247877
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TG(i-21:0/i-18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,177.55403,4.353744537
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TG(i-17:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.57503,4.410247877
TG(i-18:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.57881,4.410247877
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TG(i-24:0/i-13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,177.5898,4.134249315
TG(i-20:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.60129,4.410247877
TG(i-15:0/i-13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,177.60783,4.312935472
TG(i-18:0/i-22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,177.61618,4.148359224
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TG(i-24:0/i-14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,177.62988,4.134249315
TG(i-15:0/i-16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,177.63177,4.134249315
TG(i-22:0/i-20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,177.63383,4.353744537
TG(a-25:0/15:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,177.63486,4.410247877
TG(a-15:0/18:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.63647,4.410247877
TG(i-18:0/i-24:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,177.6368,4.167598113
TG(a-17:0/16:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.64369,4.410247877
TG(a-15:0/19:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,177.64656,4.410247877
TG(i-24:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,177.65242,4.445823282
TG(a-15:0/21:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,177.66057,4.410247877
TG(a-17:0/17:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.66255,4.410247877
TG(i-18:0/i-18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,177.66269,4.134249315
TG(i-20:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.67763,4.410247877
TG(a-15:0/17:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.67769,4.410247877
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TG(i-16:0/18:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,177.68636,4.410247877
TG(i-22:0/i-19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,177.69008,4.167598113
TG(i-17:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,177.69217,4.425300285
TG(a-21:0/20:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,177.69258,4.425300285
TG(a-15:0/16:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.69609,4.410247877
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TG(i-21:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,177.71501,4.410247877
TG(i-19:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.72232,4.410247877
TG(a-25:0/12:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,177.7271,4.644396156
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TG(i-15:0/i-14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,177.73329,4.312935472
TG(i-16:0/i-15:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,177.73753,4.134249315
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TG(i-19:0/i-21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,177.74892,4.148359224
TG(i-19:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.75151,4.410247877
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TG(i-24:0/i-15:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,177.77953,4.167598113
TG(i-24:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,177.78113,4.410247877
TG(i-21:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,177.78131,4.410247877
TG(i-16:0/i-13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,177.78726,4.134249315
TG(a-25:0/10:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,177.79353,4.425300285
TG(i-20:0/i-22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,177.81331,4.353744537
TG(i-20:0/i-18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,177.81369,4.134249315
TG(i-15:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,177.81682,5.254913494
TG(i-22:0/16:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,177.82071,4.410247877
TG(a-15:0/20:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,177.82211,4.410247877
TG(a-17:0/20:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,177.82687,4.410247877
TG(i-16:0/i-19:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,177.8298,4.134249315
TG(i-14:0/i-16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,177.83034,4.312935472
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TG(i-19:0/i-16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,177.84467,4.134249315
TG(i-17:0/i-21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,177.85683,4.134249315
TG(i-17:0/i-16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,177.85881,4.134249315
TG(i-21:0/i-15:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,177.86499,4.134249315
TG(i-17:0/i-13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,177.87212,4.134249315
TG(i-24:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,177.88684,4.410247877
TG(i-22:0/i-19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,177.89133,4.167598113
TG(i-14:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,177.90372,5.254913494
TG(i-17:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,177.91077,4.410247877
TG(i-18:0/i-21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,177.9112,4.134249315
TG(i-17:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,177.91464,4.410247877
TG(i-22:0/i-16:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,177.9428,4.134249315
TG(i-17:0/i-14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,177.94377,4.134249315
TG(i-22:0/17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,177.94424,4.410247877
TG(i-24:0/21:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,177.9514,4.445823282
TG(i-22:0/i-19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,177.96588,4.353744537
TG(i-18:0/i-20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,177.9688,4.134249315
TG(i-21:0/i-19:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,177.97485,4.148359224
TG(i-22:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,177.97574,4.445823282
TG(a-21:0/15:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,177.97966,4.410247877
TG(i-14:0/i-14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,177.98337,4.312935472
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TG(i-20:0/i-20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,177.99168,4.148359224
TG(i-20:0/i-24:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,177.99579,5.488029122
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TG(i-19:0/i-13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,178.00061,4.134249315
TG(i-20:0/i-21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,178.0132,4.353744537
TG(a-25:0/12:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,178.02145,4.445823282
TG(i-22:0/i-13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,178.02731,4.134249315
TG(i-21:0/i-15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,178.03168,4.134249315
TG(a-25:0/10:0/i-22:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,178.03242,4.644396156
TG(i-24:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,178.0433,4.644396156
TG(i-21:0/i-20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,178.04575,4.353744537
TG(a-15:0/15:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,178.0648,5.254913494
TG(a-17:0/15:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,178.07079,4.410247877
TG(a-21:0/10:0/i-19:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,178.0752,4.410247877
TG(i-17:0/13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,178.07654,5.254913494
TG(a-25:0/10:0/i-20:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,178.08052,4.644396156
TG(i-21:0/20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,178.08589,4.644396156
TG(i-22:0/i-14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,178.09084,4.134249315
TG(a-21:0/13:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,178.10014,4.410247877
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TG(a-21:0/14:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,178.10864,4.410247877
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TG(i-21:0/i-14:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,178.11813,4.134249315
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TG(i-24:0/i-18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,178.22787,5.138296261
TG(i-24:0/i-20:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,178.23163,5.138296261
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TG(i-20:0/i-21:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,178.2538,4.148359224
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TG(a-25:0/12:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,178.34113,4.644396156
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TG(i-24:0/i-20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,178.34877,5.488029122
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TG(i-22:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,178.3621,4.644396156
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TG(i-17:0/i-13:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,178.38794,4.134249315
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TG(i-19:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,178.67308,4.644396156
TG(i-17:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,178.67426,5.254913494
TG(i-22:0/i-14:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,178.67673,4.353744537
"TG(16:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,178.678,8.405709267
TG(i-15:0/i-15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,178.68076,4.134249315
TG(i-19:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,178.6909,4.410247877
TG(i-20:0/i-14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,178.70142,4.134249315
TG(a-21:0/10:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,178.70222,4.410247877
TG(i-19:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,178.70625,5.254913494
TG(i-13:0/i-13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,178.70667,4.312935472
TG(i-17:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,178.70798,4.410247877
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TG(i-18:0/i-17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,178.70828,4.134249315
TG(i-22:0/i-20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,178.72797,5.488029122
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TG(i-16:0/i-15:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,178.74161,4.134249315
TG(i-21:0/i-20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,178.75258,4.148359224
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TG(i-24:0/i-18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,178.7645,4.167598113
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TG(a-21:0/8:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,178.78493,4.410247877
TG(a-17:0/8:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,178.78532,5.254913494
TG(i-24:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,178.79962,4.425300285
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TG(i-17:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,178.81445,4.410247877
TG(a-21:0/10:0/i-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,178.81966,4.410247877
TG(i-18:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,178.8276,4.410247877
TG(i-18:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,178.83116,5.254913494
TG(i-18:0/i-15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,178.83253,4.134249315
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"TG(15:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,178.84601,7.440286875
TG(i-21:0/i-12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,178.84879,4.134249315
TG(i-24:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,178.85022,4.644396156
TG(i-24:0/i-22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,178.85283,5.488029122
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TG(i-24:0/i-17:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,178.86592,5.488029122
TG(i-18:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,178.87827,4.410247877
TG(i-22:0/i-22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,178.87991,5.138296261
TG(i-18:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,178.88774,5.254913494
TG(i-20:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,178.89034,4.410247877
"TG(20:0/20:3n6/20:3(5Z,8Z,11Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC,178.89453,8.827061951
"TG(16:0/18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z))[iso6]",[H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC,178.90044,8.980572969
TG(i-19:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,178.90652,4.410247877
TG(i-20:0/10:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,178.9389,4.410247877
"TG(15:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC,178.94917,7.440286875
TG(i-17:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,178.96368,4.410247877
TG(i-22:0/i-18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,178.9708,4.167598113
TG(i-20:0/i-17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,178.98796,4.134249315
TG(i-21:0/i-13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,178.99237,4.134249315
"TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,179.00854,8.980572969
TG(i-24:0/i-17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,179.00925,4.167598113
TG(i-22:0/i-22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,179.01218,5.488029122
TG(i-22:0/18:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,179.01689,4.425300285
TG(i-22:0/15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,179.02242,4.410247877
"TG(20:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC,179.02293,8.827061951
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TG(i-16:0/i-17:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,179.02966,4.134249315
TG(i-20:0/8:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,179.0387,5.254913494
TG(i-24:0/i-17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,179.04108,4.353744537
TG(i-22:0/i-20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,179.05167,4.167598113
TG(i-20:0/i-15:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,179.05817,4.134249315
TG(i-16:0/13:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,179.06035,4.410247877
TG(i-19:0/19:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,179.06146,4.410247877
"TG(18:0/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",[H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC,179.06755,8.980572969
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TG(i-20:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,179.08435,4.644396156
TG(i-24:0/20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,179.0882,4.445823282
TG(i-22:0/i-18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,179.09105,4.353744537
TG(i-19:0/i-19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,179.09454,4.353744537
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TG(a-15:0/14:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,179.09776,5.254913494
TG(i-20:0/i-17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,179.1021,4.353744537
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TG(i-17:0/20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,179.12299,4.410247877
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TG(i-24:0/10:0/a-25:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,179.13986,4.445823282
TG(i-22:0/16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,179.15361,4.410247877
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TG(i-17:0/i-15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,179.1824,4.134249315
TG(i-20:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,179.1865,4.425300285
TG(i-24:0/i-12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,179.19182,4.134249315
TG(i-15:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,179.19522,5.254913494
TG(i-19:0/i-19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,179.20079,4.148359224
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TG(i-22:0/17:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,179.21735,4.425300285
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TG(i-18:0/22:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,179.22864,4.425300285
TG(a-25:0/12:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,179.22882,4.410247877
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TG(i-24:0/i-15:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,179.243,4.134249315
TG(i-19:0/i-12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,179.25172,4.134249315
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TG(i-24:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,179.30838,4.410247877
TG(i-22:0/20:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,179.30885,4.644396156
TG(a-21:0/12:0/i-18:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC,179.32037,4.410247877
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TG(a-21:0/14:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,179.33047,4.410247877
TG(a-25:0/10:0/i-14:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC,179.33122,4.410247877
TG(i-21:0/14:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,179.34233,4.410247877
TG(i-17:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,179.34369,5.254913494
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TG(i-24:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,179.3482,4.410247877
TG(i-19:0/i-13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,179.34839,4.134249315
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TG(i-24:0/i-13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,179.36378,4.134249315
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TG(i-19:0/i-22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,179.37201,4.167598113
TG(i-18:0/i-12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,179.39374,4.312935472
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TG(i-24:0/15:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,179.4079,4.425300285
TG(i-16:0/i-13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,179.41582,4.312935472
TG(i-17:0/15:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC,179.42052,4.410247877
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TG(i-22:0/8:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCC,179.42656,4.410247877
TG(a-21:0/8:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC,179.43407,5.254913494
TG(i-21:0/13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,179.43939,4.410247877
TG(i-17:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,179.4434,5.254913494
TG(i-19:0/i-18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,179.44865,4.148359224
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TG(i-13:0/i-21:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC(C)C,179.47258,4.134249315
TG(i-17:0/i-16:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,179.47365,4.134249315
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TG(i-24:0/i-14:0/i-15:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,179.4836,4.134249315
TG(i-17:0/i-12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,179.48477,4.312935472
TG(i-22:0/8:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCC,179.48906,4.410247877
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TG(i-15:0/13:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC,179.4931,5.254913494
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TG(a-17:0/14:0/i-12:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,179.53111,4.410247877
TG(i-20:0/i-12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,179.53368,4.134249315
TG(i-16:0/20:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,179.53505,4.410247877
TG(i-19:0/i-22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,179.53673,4.353744537
TG(i-19:0/i-24:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,179.53694,4.353744537
TG(i-21:0/8:0/a-21:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCC,179.53741,4.410247877
TG(i-19:0/i-20:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,179.5451,4.353744537
TG(i-13:0/i-24:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,179.54895,4.134249315
TG(i-18:0/i-13:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C,179.5676,4.312935472
TG(i-18:0/i-24:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C,179.57233,4.353744537
TG(i-22:0/i-12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,179.5822,4.134249315
TG(i-19:0/i-20:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC(C)C,179.58759,4.353744537
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TG(i-18:0/i-19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C,179.60878,4.148359224
TG(i-14:0/i-12:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,179.61015,4.312935472
TG(i-17:0/i-15:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C,179.61565,4.134249315
TG(i-16:0/i-14:0/i-13:0),[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C,179.61893,4.312935472
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TG(i-17:0/i-22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,182.00485,4.134249315
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TG(i-21:0/i-16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,182.01506,4.148359224
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TG(i-14:0/15:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC,182.20064,5.254913494
TG(i-22:0/i-16:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C,182.21454,4.353744537
TG(i-12:0/14:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,182.21739,5.254913494
TG(i-17:0/19:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC,182.22377,4.410247877
TG(i-18:0/14:0/a-17:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC,182.23651,4.410247877
TG(i-22:0/i-17:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C,182.24348,4.134249315
TG(i-16:0/8:0/a-13:0)[rac],[H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCC,182.24464,5.254913494
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TG(i-24:0/i-18:0/i-16:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C,182.26807,4.353744537
TG(i-24:0/i-22:0/i-14:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C,182.27248,4.167598113
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TG(i-12:0/i-12:0/i-12:0),[H]C(COC(=O)CCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,182.29738,4.312935472
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TG(i-14:0/10:0/a-15:0)[rac],[H][C@](COC(=O)CCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC,182.30446,5.254913494
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TG(i-19:0/i-12:0/i-12:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C,182.32094,4.312935472
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TG(i-21:0/22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,191.63916,5.85440509
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TG(i-21:0/14:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC,191.7631,4.425300285
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TG(i-19:0/17:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,192.7218,4.410247877
TG(i-24:0/22:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,192.73065,5.481324345
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TG(i-24:0/16:0/i-21:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,192.78171,4.445823282
TG(i-22:0/20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,192.78525,5.85440509
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TG(i-24:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,192.80162,4.644396156
TG(i-24:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,192.80228,5.481324345
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TG(i-18:0/18:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,192.82008,4.410247877
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TG(i-24:0/18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,192.86493,4.445823282
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TG(i-18:0/21:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,192.88138,4.644396156
TG(i-19:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,192.90552,4.425300285
TG(i-18:0/19:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,192.94553,4.425300285
TG(i-22:0/17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,192.99863,4.644396156
TG(i-18:0/22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,193.00822,4.644396156
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TG(i-24:0/18:0/i-22:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,193.03252,5.481324345
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TG(i-22:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,193.05965,4.644396156
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TG(i-19:0/22:0/i-17:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,193.07965,4.644396156
TG(i-24:0/22:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,193.17786,5.481324345
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TG(i-22:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,193.37569,4.445823282
TG(i-21:0/20:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC,193.4305,4.445823282
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TG(i-22:0/21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,193.82405,5.85440509
TG(i-21:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,193.84735,4.425300285
TG(i-24:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,193.85042,5.85440509
TG(i-19:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,193.86008,4.644396156
TG(i-20:0/21:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,193.87239,4.445823282
TG(i-19:0/16:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,193.89838,4.410247877
TG(i-19:0/17:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,193.90788,4.425300285
TG(i-22:0/19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,193.92935,4.445823282
TG(i-20:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,193.95277,4.445823282
TG(i-22:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,193.98216,4.445823282
TG(i-21:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,193.99315,4.644396156
TG(i-19:0/22:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC,194.00908,4.445823282
TG(i-20:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,194.0152,4.644396156
TG(i-20:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,194.04247,4.644396156
TG(i-19:0/18:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,194.07687,4.425300285
TG(i-21:0/19:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,194.13918,4.445823282
TG(i-21:0/21:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,194.1549,5.85440509
TG(i-21:0/16:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,194.21365,4.644396156
TG(i-19:0/19:0/i-18:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,194.22218,4.644396156
TG(i-21:0/18:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,194.26204,4.445823282
TG(i-21:0/17:0/i-20:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,194.33234,4.644396156
TG(i-20:0/19:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCC,194.37404,4.644396156
TG(i-20:0/21:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,194.47986,4.445823282
TG(i-20:0/18:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC,194.52484,4.644396156
TG(i-20:0/17:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC,194.535,4.644396156
TG(i-20:0/16:0/i-19:0),[H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC,194.56627,4.425300285