Spaces:

HassounLab
/

MVP

Sleeping

MVP
File size: 9,696 Bytes
BEGIN IONS
TITLE=MassSpecGymID0383256
PRECURSOR_MZ=708.33
ADDUCT=[M+H]+
FORMULA=C38H49N3O8S
499.169006 0.102 
500.169006 0.022 
500.190002 0.006 
501.17099 0.005 
706.278015 0.008 
707.297974 0.009 
708.301025 1.0 
709.302979 0.44 
710.304016 0.155 
711.299011 0.034 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0191002
PRECURSOR_MZ=617.186
ADDUCT=[M+H]+
FORMULA=C30H32O14
73.026314 0.00043178 
81.031914 0.0015750500000000001 
85.026711 0.00101745 
91.054527 0.02224711 
92.056969 0.00140125 
97.027397 0.00126728 
99.045792 0.00036027000000000005 
105.069328 0.0018466099999999998 
109.027206 0.00058566 
115.054115 0.00159858 
116.061783 0.00143565 
117.069061 0.00200502 
119.049446 0.16291522 
119.084969 0.00036751 
120.053078 0.01233154 
121.059433 0.00062006 
127.039238 0.0009504600000000001 
128.062119 0.00212994 
129.070663 0.01120004 
130.073486 0.00105456 
131.086029 0.00623864 
132.059006 0.00036117 
132.088715 0.00045713 
133.030319 0.00118219 
133.065384 0.00413676 
134.067825 0.00057028 
135.064667 0.00040190999999999995 
139.039047 0.00169182 
141.070908 0.0042336200000000004 
143.050446 0.00077214 
144.057816 0.0019117799999999999 
145.066452 0.00080472 
146.031906 0.00041911 
146.813782 0.00070515 
146.882019 0.00035393 
146.910675 0.00056484 
147.044846 1.0 
147.08046 0.0014021600000000002 
147.184479 0.00037113 
147.2052 0.00060648 
147.224457 0.0005684700000000001 
148.002487 0.00067347 
148.048309 0.07635454 
149.050888 0.00393491 
155.05983 0.00101382 
156.057968 0.00048427999999999996 
157.065994 0.02319394 
158.068893 0.0030206499999999997 
159.044861 0.00042272999999999996 
159.080383 0.006959180000000001 
160.050903 0.00049695 
160.081741 0.00064631 
161.061447 0.00732669 
162.065048 0.00103374 
163.077637 0.00036208 
165.056503 0.007185479999999999 
166.059738 0.00067981 
167.054382 0.00044536 
169.074188 0.00188463 
175.076172 0.00295729 
179.071075 0.00043631000000000003 
185.060242 0.04003881 
186.064758 0.00714475 
187.034424 0.0004987699999999999 
187.076889 0.00603769 
188.07695 0.00112969 
189.054794 0.00430966 
189.089935 0.0009504600000000001 
195.044067 0.00116047 
197.06189 0.0010789999999999999 
201.092987 0.00035303 
203.070679 0.01915404 
204.074341 0.0013740900000000001 
213.011459 0.00039738 
213.055374 0.02665724 
214.058655 0.00252098 
215.070999 0.00043269 
217.087372 0.00245943 
227.072342 0.00245219 
229.088486 0.00127905 
231.010956 0.00075222 
231.066055 0.0709505 
232.068451 0.0074326 
233.073654 0.00054493 
235.096222 0.0005938100000000001 
241.049881 0.0071248299999999995 
242.054901 0.00088529 
245.082687 0.00359727 
246.086945 0.00045441000000000004 
249.076401 0.003912280000000001 
250.0802 0.00048881 
259.061554 0.00261241 
263.091553 0.00715832 
264.094238 0.00133336 
273.07605 0.015763160000000002 
274.079041 0.00207381 
285.087891 0.00036842 
291.026031 0.0003648 
291.087097 0.03638995 
292.092194 0.0054665 
309.096893 0.010831630000000002 
310.098114 0.00223856 
331.097565 0.00035574 
437.121613 0.0030278899999999997 
438.130066 0.00063002 
455.133026 0.00068886 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0376830
PRECURSOR_MZ=703.26
ADDUCT=[M+H]+
FORMULA=C37H42N4O6S2
235.076004 0.207 
250.082993 0.824 
251.069 0.045 
251.091995 1.0 
252.076996 0.631 
254.091003 0.312 
264.101013 0.572 
266.084015 0.313 
278.075989 0.279 
279.091003 0.19 
280.093994 0.732 
290.11499 0.67 
292.091003 0.849 
306.10199 0.03 
318.112 0.557 
334.102997 0.116 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0249628
PRECURSOR_MZ=692.442
ADDUCT=[M+H]+
FORMULA=C44H57N3O4
53.03912 0.011611565747879093 
55.05489 0.00211610223546663 
58.660858 0.0009959743114889069 
62.387989 0.0009520477262348785 
66.737907 0.0012098113688713643 
67.054787 0.0019105014128193028 
69.070221 0.004531759378707259 
75.375778 0.0009971944944126298 
80.94809 0.0051204976394036116 
81.070152 0.02219116178801945 
82.39444 0.0012799718869854373 
83.049362 0.005601859802812339 
83.085953 0.002066989872786779 
85.102348 0.001594779081305974 
85.982536 0.001183272390280389 
90.976768 0.007684101962145655 
91.054199 0.002036180253962773 
92.370041 0.0017323547059557433 
93.069832 0.010865423890022473 
95.049347 0.006621322635582913 
95.085587 0.03347175291783868 
97.065376 0.0018613890501394516 
105.044594 0.005271800321945265 
105.069946 0.01101032061221458 
107.085693 0.02041060985657665 
109.064743 0.0022530677686545377 
109.101143 0.013173399890244545 
119.085548 0.02669028127351712 
121.101128 0.023538548781540585 
123.081039 0.002235375116260554 
123.116547 0.010305664973764542 
131.085754 0.0017878730289851404 
133.101227 0.02205297607190782 
135.080414 0.002640170801205663 
135.116714 0.026237593408815884 
136.197571 0.0014389007128003594 
137.132309 0.00501037613053761 
145.101151 0.00750778552966768 
147.080688 0.0020276389734967116 
147.116745 0.016958102273902393 
149.09613 0.012059067835154508 
149.132355 0.007636514828120457 
157.101135 0.005384362196658712 
158.963867 0.002455313088261627 
159.117157 0.008009280711317837 
160.703812 0.0013315246155127347 
161.096375 0.0068354647386963015 
161.132385 0.01189373304899004 
163.112076 0.0016905634408182302 
163.147766 0.001912636732935818 
171.116684 0.0061603985361465465 
175.111862 0.0065865474222568075 
175.148102 0.036159205807338606 
177.163773 0.007162168716523138 
185.132736 0.0015267538833084163 
187.148422 0.005544816251128288 
189.130447 0.003907330767492009 
189.163589 0.07984205952235329 
191.179108 0.009286202140993967 
197.132416 0.0014733708803955346 
198.102188 0.03475691058224994 
198.121674 0.0016692102396530775 
199.086578 0.0023586135915565783 
199.148102 0.011969079344529935 
201.164429 0.004371610369968614 
203.143509 0.0018455266721310525 
204.993912 0.0011872379847824887 
211.147247 0.0014721506974718114 
213.162979 0.0014199878774826529 
215.142853 0.002512661685676608 
215.179749 0.0026767762889173532 
216.92247 0.007948881656593548 
217.158447 0.03197763892773985 
224.082443 0.0014334098896436058 
226.952072 0.005342265885790268 
235.169724 0.0026767762889173532 
241.19545 0.0013220681978538813 
253.196213 0.005249531983587319 
255.176331 0.0014440864902261822 
255.206726 0.0013574535026418485 
271.205383 0.00942926858880049 
277.177551 0.0029555880869880607 
285.220551 0.0019156871902451255 
294.938141 0.0013968044019319157 
320.177887 0.0013351851642839036 
334.335571 0.0013559282739871949 
348.206665 0.0014001599049721539 
352.898315 0.004419502549724742 
389.322205 0.004892628478398339 
389.70813 0.001290343441837083 
407.329163 0.009083346729925017 
414.255035 0.008903064702944942 
420.885254 0.006688432696387679 
467.351166 0.00807517058919888 
488.872437 0.004804165216428421 
496.290253 0.001629249248901149 
548.388306 0.0011631393720389592 
556.861389 0.002297299399639497 
632.416809 0.009349956698758495 
692.441772 1.0 
718.917419 0.0012308595243055863 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0240781
PRECURSOR_MZ=457.051
ADDUCT=[M+H]+
FORMULA=C23H17ClO6S
56.965229 0.0003209516237409676 
64.745781 0.00026958443885237253 
67.00267 0.0002583284334470024 
69.962448 0.00026075376057854623 
86.999863 0.00044650894370473694 
88.469566 0.00027194757810874857 
89.545441 0.0002835767107651254 
114.018021 0.00025932343944968703 
116.426613 0.0002708903842308961 
121.02916 0.0019413810869880889 
174.962006 0.001803199628365258 
181.064438 0.0006041552072550862 
197.060333 0.001998967059393463 
225.054764 0.016722444008369246 
226.062363 0.011234612776312389 
237.054733 0.004608805616560133 
253.049744 0.09390972372725517 
253.085342 0.02117951120951997 
254.057388 0.3438350205422099 
267.064941 0.00036050311234768245 
280.869934 0.0005320172720604491 
281.080414 0.021295864723958904 
282.088562 1.0 
283.316589 0.0005183359395235351 
454.538788 0.0004377404533060785 
457.050476 0.7500169306490144 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0059650
PRECURSOR_MZ=664.1164
ADDUCT=[M+H]+
FORMULA=C21H27N7O14P2
97.0284 0.06306306306306306 
119.0366 0.022022022022022022 
123.057 0.022022022022022022 
136.062 1.0 
232.0854 0.07607607607607608 
348.0728 0.16716716716716717 
428.0167 0.022022022022022022 
428.0468 0.04504504504504504 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0207016
PRECURSOR_MZ=407.17231
ADDUCT=[M+H]+
FORMULA=C17H25F3N4O2S
68.049057 0.05165 
80.049118 0.05943 
94.064651 0.07192 
95.072357 0.0412 
123.07872 0.0919 
123.091339 0.03986 
137.094467 0.25476 
137.107117 0.18838000000000002 
146.070984 0.07319 
150.114517 0.03129 
152.117859 0.09951 
164.11795 0.13595000000000002 
166.133743 0.19783 
176.118057 0.08448 
178.133865 0.07400000000000001 
179.141418 0.0351 
188.118134 0.26433 
189.113388 0.04677 
190.133575 0.06756999999999999 
202.133789 0.20192 
203.141129 0.07704 
204.126801 0.03142 
204.149384 1.0 
205.144852 0.21088 
216.149918 0.07548 
219.173172 0.055529999999999996 
245.176025 0.2053 
247.191788 0.12242000000000001 
407.174438 0.04639 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0375801
PRECURSOR_MZ=701.33
ADDUCT=[M+H]+
FORMULA=C38H44N4O7S
164.091995 0.013 
191.069 0.011 
202.108994 0.02 
283.104004 0.014 
339.17099 0.007 
361.153015 0.02 
405.247986 0.008 
499.188995 0.05 
534.190002 0.009 
587.171021 0.006 
642.263 0.012 
701.26001 1.0 
701.294006 0.458 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0366392
PRECURSOR_MZ=733.38
ADDUCT=[M+H]+
FORMULA=C40H52N4O9
135.054001 0.022 
136.056 0.15 
151.042007 0.067 
165.063995 0.147 
166.070007 1.0 
167.074997 0.015 
181.095993 0.059 
280.112 0.011 
306.126007 0.06 
END IONS

BEGIN IONS
TITLE=MassSpecGymID0383258
PRECURSOR_MZ=708.33
ADDUCT=[M+H]+
FORMULA=C38H49N3O8S
499.169006 0.103 
500.166992 0.033 
708.301025 1.0 
709.302002 0.475 
710.301025 0.134 
710.333008 0.018 
711.302979 0.034 
END IONS