mz	inv_k0	ccs	formula
341.103163	0.9199002147163171	191.89829205433378	C19H18O6
259.024846	0.7159012731045886	151.12682137257684	C13H8O6
322.093225	0.796612794867346	166.5511803565397	C16H13N5O3
419.098426	0.9160619406734737	189.7438789530399	C20H20O10
407.0256	0.8525723532947023	176.7572227869069	C17H12O12
511.05182	1.016680468186358	209.39516429577466	C24H16O13
418.077926	0.9299099281473246	192.6269334911089	C20H13N5O6
467.118769	1.002453476432898	206.96868551294597	C21H24O12
489.213223	1.0031476735269007	206.84735197513075	C26H34O9
473.18127	0.9469135693555025	195.43095869945708	C25H30O9
307.045866	0.8647991514708686	181.16117902239128	C14H12O8
529.099058	1.0148816806136038	208.83943528099581	C25H22O13
359.113776	1.0195122736523266	212.2731761516365	C19H20O7
470.071987	0.9365057827022172	193.3186328435107	C23H13N5O7
527.156195	1.099908422714278	226.35695585292413	C27H28O11
392.098524	0.9419105731135626	195.51812561363366	C19H15N5O5
426.104017	0.9106215425043787	188.51988095152527	C19H17N5O7
333.097961	0.846792713565971	176.80845221903436	C17H18O7
305.103158	0.8294032501646194	173.79254199932092	C16H18O6
497.129802	0.9517518219023903	196.16500303487726	C22H26O13
301.07188	0.7601700941675259	159.37509183319332	C16H14O6
461.181576	0.9886273717764242	204.188406969946	C24H30O9
531.151707	1.0122499569792867	208.2776566720503	C26H28O12
609.146001	1.0619733084812262	217.80696453132495	C27H30O16
361.129487	0.8410238915056765	175.07466643804142	C19H22O7
387.035631	0.8978974112478448	186.46327832218034	C18H12O10
529.135428	1.098881756614292	226.1243388993781	C26H26O12
417.192016	0.9745309523178658	201.8834444005583	C23H30O7
413.218329	0.9399809627698695	194.78496033352218	C21H34O8
295.061408	0.8770508519751804	184.0392646557875	C17H12O5
427.088054	0.8674200016367706	179.56339871995053	C18H20O12
491.08277	0.9204049444570277	189.76638322871938	C22H20O13
511.109081	1.0332223992107812	212.80151561371517	C22H24O14
365.030434	0.8379752358160281	174.37295063808835	C19H10O8
512.119323	1.0642571608852036	219.18217691854946	C26H19N5O7
479.191542	0.9779105543657324	201.75761795476387	C24H32O10
417.046465	0.9699942715052066	200.94583278735143	C19H14O11
283.097705	0.766035052895985	161.03795663102807	C17H16O4
551.213048	1.0279454338732676	211.31428878326446	C27H36O12
369.191929	0.8914748014314184	185.4310934505217	C19H30O7
511.073341	0.9334379371111262	192.2503505832776	C21H20O15
315.050978	0.922739840816562	193.09346072695388	C16H12O7
433.088424	0.9458675278647758	195.71923829984763	C31H14O3
287.09262	0.8929773047203323	187.60650881693863	C16H16O5
417.155615	0.9123370634592399	188.99990175384264	C22H26O8
395.077087	0.9624015104647808	199.72135610472725	C21H16O8
325.128536	0.7732365077570891	161.60343674732962	C16H22O7
325.129166	0.7732365077570891	161.60342433279482	C16H22O7
447.092753	0.9736445800165909	201.27517706324102	C21H20O11
363.035914	0.8288693337320415	172.51186842837924	C16H12O10
279.087418	0.8558371683289769	180.03270432918458	C14H16O6
471.201514	1.0276339698443864	212.1155167713527	C26H32O8
229.087005	0.7266476982332731	154.37007545932434	C14H14O3
376.103733	0.8417316907894357	174.97083592626117	C19H15N5O4
357.09806	1.0079843838220075	209.91578766865263	C19H18O7
367.082549	0.8475447879551354	176.32914054679054	C20H16O7
379.046022	0.8834875219533043	183.60122940233887	C20H12O8
505.078197	1.0539245787472382	217.1326142603942	C26H18O11
499.088133	1.0211328560109347	210.44306903563825	C24H20O12
255.066317	0.8256311670310121	174.42269781347682	C15H12O4
607.093771	1.0399228261545552	213.30033042425418	C26H24O17
384.036135	0.8465784889344606	175.85236580084643	C19H7N5O5
291.160281	0.8274435880745715	173.7305235497452	C17H24O4
360.072557	0.8132213645687891	169.30493346934352	C18H11N5O4
433.077194	0.9221371931446983	190.80909940463985	C20H18O11
457.113503	0.9743552149716634	201.29192327198604	C23H22O10
459.238882	0.9774055940395019	201.8951298167016	C26H36O7
391.030449	0.8203982964373738	170.31058148979724	C17H12O11
495.092684	1.013350373738494	208.8839539658483	C25H20O11
343.04608	0.8336540460714965	173.86931164897283	C17H12O8
413.160429	0.9292595173240104	192.56409465810123	C23H26O7
423.166227	0.9937140147353892	205.76598588810552	C21H28O9
469.24337	0.9958233502358782	205.57349171018453	C24H38O9
597.146141	1.0470032209377704	214.8314496716674	C26H30O16
395.207477	0.88943549621708	184.57714595563635	C21H32O7
507.150469	0.9554478131880364	196.82301911508162	C24H28O12
341.160633	0.8092062276048397	168.80559252430083	C17H26O7
439.124488	0.9520618871362763	196.91873994168938	C20H24O11
476.082989	0.963457302875156	198.81151783703103	C22H15N5O8
383.113316	0.8955650345763119	186.0431381512491	C21H20O7
369.11912	0.8788319104678205	182.80258159141036	C17H22O9
493.098343	0.9895329569300825	203.99650025177422	C22H22O13
315.050978	0.987452584447222	206.6353140945537	C16H12O7
445.150075	1.0184284956931324	210.56013609541714	C23H26O9
509.130487	1.0673507333115015	219.85273954273572	C23H26O13
491.228051	1.0035321134144584	206.9036479245711	C26H36O9
407.109431	0.8758784106291906	181.58788378089636	C30H16O2
309.061634	0.8719294604209726	182.60507503470313	C14H14O8
559.10899	1.0729099604989205	220.48232693444174	C26H24O14
399.093149	0.8486597095314801	176.0585535962127	C17H20O11
417.192016	0.8977964368320659	185.98715269854947	C23H30O7
329.139341	0.8243899927628462	172.21105968160802	C19H22O5
291.051031	0.8834688713763326	185.49667790188388	C14H12O7
591.077451	1.0969849488481906	225.13879894994113	C29H20O14
404.062374	0.873597467622108	181.15893700973183	C19H11N5O6
323.112925	0.9506798721937049	198.7375452190326	C16H20O7
323.113695	0.9506798721937049	198.73752633492265	C16H20O7
455.134679	1.0205956319390452	210.8711790505246	C24H24O9
353.066918	0.8562710571615766	178.39503132668943	C19H14O7
535.125337	1.0969050864786112	225.6540883349914	C28H24O11
383.171126	0.9331474166358897	193.84944151858946	C19H28O8
467.061009	0.9896278625373929	204.3213963482611	C23H16O11
485.071775	0.9755321670312669	201.19956289563837	C23H18O12
265.108137	0.783645081380318	165.24228800328973	C14H18O5
415.124539	0.8627508406427914	178.75511070833048	C18H24O11
429.155314	1.0111525783139041	209.28625733560858	C23H26O8
397.077531	0.841230019869136	174.54626485931533	C17H18O11
465.212129	0.9430883038295975	194.7345885692877	C24H34O9
529.062488	0.9877656635854704	203.25993230612963	C24H18O14
281.045607	0.8568972124011871	180.19842705777148	C16H10O5
539.119827	1.012170049612582	208.18413231852028	C27H24O12
381.118993	0.9731372707922783	202.1938817250074	C18H22O9
531.114887	1.0508577091929963	216.22185268242222	C25H24O13
555.207841	1.0431744159156393	214.4076062089201	C26H36O13
477.175819	0.986626850358105	203.57965435774815	C24H30O10
433.041245	0.9471586901747913	195.9870543733836	C19H14O12
351.087553	1.003865860898018	209.18816498786734	C20H16O6
281.103167	0.7455214000629207	156.77555665433889	C14H18O6
295.082398	0.7712970707897742	161.84752326762367	C14H16O7
365.123434	0.8249488349438369	171.66074986244948	C18H22O8
365.124184	0.8249488349438369	171.66073730530798	C18H22O8
393.11916	0.8815484728880726	182.97256301606575	C19H22O9
447.056274	0.8613486502565342	178.0614019944204	C20H16O12
404.062374	0.8471808186638098	175.68088536465237	C19H11N5O6
519.150779	1.0572992529398597	217.67274814647837	C25H28O12
434.109274	0.9011664414739983	186.45635926516042	C21H17N5O6
365.123434	0.9844353970109598	204.84775695639894	C18H22O8
365.124184	0.9844353970109598	204.84774197159737	C18H22O8
269.081878	0.9530351185061776	200.81869411799764	C16H14O4
355.082401	0.9794069475711251	204.00653800235295	C19H16O7
317.030356	0.7665837632802434	160.37520494853945	C15H10O8
401.051181	0.942988843491616	195.5962772850641	C19H14O10
385.165621	0.9367291994748969	194.5591981883615	C22H26O6
239.071291	0.7030982005084321	149.02710157772165	C15H12O3
377.087689	1.0005848255041514	207.972846831477	C18H18O9
399.16603	0.8655955058118772	179.5708915446792	C19H28O9
581.093691	1.044790985998727	214.51011045183802	C28H22O14
325.055666	0.7753455502895432	162.0456586556314	C14H14O9
432.057243	0.9342835555340593	193.33628759656577	C20H11N5O7
601.156301	1.1003284017412072	225.73935283135162	C29H30O14
433.150153	0.9642588138661743	199.52390624388164	C22H26O9
503.192631	1.0712496238000229	220.7236890303887	C26H32O10
379.17646	0.921504512944312	191.49943316923068	C20H28O7
396.072818	0.9367603750027166	194.38403358357698	C21H11N5O4
323.112925	0.7829581567318129	163.6756879253612	C16H20O7
323.113695	0.7829581567318129	163.67567237284098	C16H20O7
372.072496	0.8701703453823597	180.95026435179352	C19H11N5O4
447.201911	0.9307393824080141	192.40428218019002	C24H32O8
350.124735	0.8626302442045297	179.775376489238	C18H17N5O3
501.212662	1.0032712794107017	206.73873534394545	C27H34O9
429.191483	0.9231893734972383	191.07932304300903	C24H30O7
385.186581	0.8733665172504461	181.39839785840846	C19H30O8
601.083491	1.0629387174352234	218.0692096557344	C27H22O16
283.097705	0.9045140451795115	190.1493841947626	C17H16O4
323.056085	0.9106445207352819	190.36957819701828	C18H12O6
275.092609	0.9349433085922734	196.80352307969716	C15H16O5
301.07188	0.8464953141695215	177.47379102025533	C16H14O6
402.046538	0.8945455333764679	185.53309744284357	C19H9N5O6
367.139829	0.9186302847452501	191.11720745180406	C18H24O8
581.114971	1.0341519835023865	212.3255966600725	C25H26O16
443.026041	0.9386150738126373	194.08623492864595	C20H12O12
349.129496	0.8875443572366499	184.98709223461668	C18H22O7
337.055861	0.8793824178485488	183.5294986625141	C15H14O9
337.056601	0.8793824178485488	183.52948320984555	C15H14O9
305.103158	0.9393407672157768	196.82876779855926	C16H18O6
409.019988	0.884535437514429	183.35510262261388	C20H10O10
299.14993	0.7696177531232218	161.39995872966608	C15H24O6
325.165606	0.8065507769105859	168.56522815758245	C17H26O6
519.25976	1.1001940290484407	226.50254511219057	C28H40O9
271.061259	0.8763163715558746	184.58935720634088	C15H12O5
639.120471	1.0874913153459058	222.81065023562192	C27H28O18
243.102583	0.8045240747446528	170.3768029638411	C15H16O3
429.118864	0.9035183010372632	187.00882497480123	C22H22O9
591.077451	1.070000668125636	219.600702407429	C29H20O14
339.087326	0.8255233625356561	172.2493786194503	C19H16O6
493.077043	0.9789647519985706	201.81805330671838	C25H18O11
299.11374	0.7772307742749895	162.99736316129804	C14H20O7
313.0565	0.7931051186150861	166.00911507637775	C13H14O9
481.134997	0.9533241749012171	196.66314798824982	C22H26O12
358.057024	0.8385722988961487	174.61820575421112	C18H9N5O4
321.097035	0.842917328251023	176.25412643482545	C16H18O7
321.097995	0.842917328251023	176.25410530213293	C16H18O7
389.160442	0.864196217930967	179.43161077636967	C21H26O7
398.088324	0.8783590501175715	182.23490144869353	C21H13N5O4
471.092334	0.9745782406698874	201.1655091613782	C23H20O11
318.098276	0.816818682312172	170.861455547705	C17H13N5O2
235.09761	0.7973087309447978	169.14542021882522	C13H16O4
561.089052	0.9876111657138877	202.93639852901393	C25H22O15
415.103469	1.0343077168108272	214.30067432084564	C21H20O9
353.066918	0.9824867466023435	204.6907372055541	C19H14O7
555.150662	1.0376271293611616	213.2679785959903	C28H28O12
347.150088	0.963662548730734	200.89459236035376	C19H24O6
393.19179	0.9396333658860656	195.02735781670316	C21H30O7
481.077497	1.0171101449900353	209.82237274958217	C24H18O11
351.145094	0.9353587858519024	194.91130390859914	C18H24O7
343.0825	0.8131425952698828	169.59070455803027	C18H16O7
517.135478	0.9766364861633005	201.08625270735473	C25H26O12
371.040979	0.9287436957616607	193.14926859085202	C18H12O9
399.035619	0.8676207885621559	179.99297160443118	C19H12O10
407.041001	0.9419133986783728	195.2793719916033	C21H12O9
381.192062	0.9458506737703143	196.52311193234405	C20H30O7
411.093205	0.8427830985720233	174.67204531558627	C18H20O11
398.109405	0.8869569274491313	184.0184000128137	C18H17N5O6
549.124715	1.1000957437960808	226.1669829314539	C25H26O14
249.076883	0.8533410952963472	180.4909685885902	C13H14O5
293.066705	0.9633421792792807	202.20614511089698	C14H14O7
411.035964	0.8593844667364746	178.11357309453123	C20H12O10
417.092435	0.8889221151265019	184.15013432981803	C31H14O2
551.08341	1.0939357291190752	224.88116328509312	C27H20O13
325.056446	0.8062418209175166	168.50290096591021	C14H14O9
261.113256	0.7331004484498329	154.69718338187323	C15H18O4
505.134899	1.0385008078421785	213.95433327192814	C24H26O12
339.181327	0.8646669122301656	180.41495961750007	C18H28O6
332.077538	0.9146371466918415	190.99697091066858	C17H11N5O3
561.27098	1.091303413101091	224.24156999949406	C30H42O10
331.045865	0.7823086868372904	163.38358179911842	C16H12O8
319.045945	0.9472883885081276	198.12919067921393	C15H12O8
413.160429	0.9734974247412702	201.73121367336262	C23H26O7
416.099133	0.8759815988808717	181.48298740743093	C21H15N5O5
367.103479	0.902000598269205	187.65812874443736	C17H20O9
387.035631	0.9458592093774908	196.42334057589792	C18H12O10
583.167311	1.089860195669212	223.7451567235672	C26H32O15
259.097586	0.7356742805635131	155.2987783295853	C15H16O4
379.046022	0.938111344669247	194.95283398768643	C20H12O8
231.10272	0.807662741525004	171.49951074130925	C14H16O3
551.176759	1.0492097463413013	215.68592734194846	C26H32O13
613.119511	1.0598964826763901	217.35005706439122	C29H26O15
502.098644	0.9694404806474313	199.7580785443023	C24H17N5O8
273.076889	0.7653098636253004	161.15097091523398	C15H14O5
565.228591	1.0693349574649398	219.6909261344395	C28H38O12
492.114661	0.962471326778469	198.42828340683295	C23H19N5O8
528.078452	1.0355666728458728	213.1062830427121	C25H15N5O9
359.150246	0.8321707500497766	173.26606462579738	C20H24O6
354.119595	0.8310451187979586	173.1205634795685	C17H17N5O4
437.087542	0.9172063854218455	189.73593321240853	C23H18O9
514.06281	0.9734260978828658	200.45600823124653	C24H13N5O9
525.067818	1.0538360498583776	216.89718913022838	C25H18O13
457.186352	0.9502925450857473	196.31991649741207	C25H30O8
355.103521	0.9127440645562852	190.1205136652899	C16H20O9
409.092918	0.9880349066356764	204.8083088654576	C22H18O8
327.144048	0.8167825405360711	170.66268870777483	C16H24O7
327.144818	0.8167825405360711	170.66267287296773	C16H24O7
313.10822	0.8738358757020112	182.90606556264484	C18H18O5
383.113316	0.9181148929670628	190.72760690327706	C21H20O7
519.077978	0.979624836953936	201.6821586166977	C23H20O14
547.10884	1.091720081166481	224.46510376786233	C25H24O14
289.071776	0.8565946856178104	179.90809377193375	C15H14O6
339.108496	0.9030152078806041	188.4179723626054	C16H20O8
379.17646	0.885073168074132	183.9285729138194	C20H28O7
457.040664	0.9843055515421327	203.34849733133933	C21H14O12
276.087734	0.8356701862162212	175.8774589676611	C15H11N5O
563.067781	1.0586425579695249	217.51390860166177	C24H20O16
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