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Instrument Type:
ESI-QTOF
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Results :
440 Hit.
( 1 - 214 Displayed )
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Name
Formula / Structure
ExactMass
ID
1,2-Bis(p-(2-hydroxyethoxycarbonyl)benzoyloxy)etha...
4 spectra
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.12131
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00197
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 25 V
MSJ00198
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00199
ESI-QTOF; MS; POSITIVE
MSJ00196
2-(4-Fluorophenyl)ethylamine
1 spectrum
C8H10FN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.07973
ESI-QTOF; MS; POSITIVE
MSJ00509
3-O-Acetyl-16alpha-hydroxydehydrotrametenolic acid
14 spectra
C32H48O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
512.35016
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00398
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00399
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00400
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00401
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSJ00402
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00403
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00391
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSJ00392
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSJ00393
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00394
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSJ00395
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSJ00396
ESI-QTOF; MS; NEGATIVE
MSJ00397
ESI-QTOF; MS; POSITIVE
MSJ00390
3-O-Acetyl-16alpha-hydroxytrametenolic acid
14 spectra
C32H50O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
514.36584
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00426
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00427
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00428
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00429
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSJ00430
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00431
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00419
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSJ00420
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSJ00421
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00422
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSJ00423
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSJ00424
ESI-QTOF; MS; NEGATIVE
MSJ00425
ESI-QTOF; MS; POSITIVE
MSJ00418
8-CHLOROTHEOPHYLLINE
1 spectrum
C7H7ClN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.02600
ESI-QTOF; MS2; CE 30 eV; [M]-
UPA00023
Amiloride
10 spectra
C6H8ClN7O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
229.04790
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002620
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002621
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002622
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002623
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002624
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002625
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002626
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002627
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002629
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002628
Asymmetric dimethylarginine
13 spectra
C8H18N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.14296
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00351
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00352
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00353
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00354
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00355
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00344
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSJ00345
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSJ00346
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00347
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSJ00348
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSJ00349
ESI-QTOF; MS; NEGATIVE
MSJ00350
ESI-QTOF; MS; POSITIVE
MSJ00343
Bensulfuron-methyl
7 spectra
C16H18N4O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.08960
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00235
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00236
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00237
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00238
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00239
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSJ00240
ESI-QTOF; MS; NEGATIVE
MSJ00234
CANDESARTAN CILEXETIL
1 spectrum
C33H34N6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.25397
ESI-QTOF; MS2; CE 20eV; [M-H]-
UPA00014
Creatinine
15 spectra
C4H7N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
113.05890
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00468
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 15 V
MSJ00469
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00470
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00471
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00472
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSJ00473
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00474
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00461
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSJ00462
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSJ00463
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00464
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSJ00465
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSJ00466
ESI-QTOF; MS; NEGATIVE
MSJ00467
ESI-QTOF; MS; POSITIVE
MSJ00460
Cumyluron
16 spectra
C17H19ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.11859
ESI-QTOF; MS2; NEGATIVE; [M-H]-; 37Cl-isotopolog ion; CID; 20 V
MSJ00233
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00227
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00228
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00229
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00230
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00231
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSJ00232
ESI-QTOF; MS2; POSITIVE; [M+H]+; 37Cl-isotopolog ion; CID; 30 V
MSJ00225
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00219
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSJ00220
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSJ00221
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00222
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSJ00223
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 80 V
MSJ00224
ESI-QTOF; MS; NEGATIVE
MSJ00226
ESI-QTOF; MS; POSITIVE
MSJ00218
Cyclizine
10 spectra
C18H22N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.17831
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002630
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002631
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002632
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002633
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002634
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002635
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002636
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002637
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002639
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002638
CYCLOHEXIMIDE
1 spectrum
C15H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.16272
ESI-QTOF; MS2; 25eV; [M+H]+
UPA00019
Dehydroeburicoic acid
14 spectra
C31H48O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
468.36035
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00440
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00441
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00442
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00443
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSJ00444
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00445
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00433
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSJ00434
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSJ00435
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00436
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSJ00437
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSJ00438
ESI-QTOF; MS; NEGAIVE
MSJ00439
ESI-QTOF; MS; POSITIVE
MSJ00432
Desipramine
10 spectra
C18H22N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.17831
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002640
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002641
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002642
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002643
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002644
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002645
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002646
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002647
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002649
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002648
Dibucaine
10 spectra
C20H29N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
343.22601
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002650
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002651
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002652
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002653
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002654
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002655
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002656
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002657
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002659
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002658
Dicyclohexylurea
3 spectra
C13H24N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.18890
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 kV
MSJ00194
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 35 V
MSJ00195
ESI-QTOF; MS; POSITIVE
MSJ00193
Dimethametryn
7 spectra
C11H21N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.15179
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00212
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSJ00213
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSJ00214
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00215
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSJ00216
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 80 V
MSJ00217
ESI-QTOF; MS; POSITIVE
MSJ00211
Dixyrazine
10 spectra
C24H33N3O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.22931
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002660
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002661
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002662
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002663
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002664
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002665
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002666
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002667
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002669
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002668
Dothiepin
10 spectra
C19H21NS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.13950
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002670
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002671
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002672
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002673
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002674
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002675
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002676
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002677
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002679
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002678
Eburicoic acid
14 spectra
C31H50O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
470.37601
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00317
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00318
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00319
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00320
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSJ00321
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00322
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSJ00310
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSJ00311
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSJ00312
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSJ00313
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSJ00314
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSJ00315
ESI-QTOF; MS; NEGATIVE
MSJ00316
ESI-QTOF; MS; POSITIVE
MSJ00309
Ethambutol
10 spectra
C10H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.18381
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002680
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002681
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002682
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002683
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002684
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002685
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002686
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002687
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002689
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002688
Etofylline
10 spectra
C9H12N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.09090
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002690
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002691
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002692
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002693
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002694
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002695
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002696
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002697
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002699
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002698
FLAVOXATE
1 spectrum
C24H25NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
391.17838
ESI-QTOF; MS2; CE 23 eV; [M+H]+
UPA00001
Imazosulfuron
8 spectra
C14H13ClN6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
412.03571
ESI-QTOF; MS2; NEGATIVE; [M-H]-; 37Cl-isotopolog ion; CID; 30 V
MSJ00248
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSJ00242
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSJ00243
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSJ00244
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSJ00245
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSJ00246
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 80 V
MSJ00247
ESI-QTOF; MS; NEGATIVE
MSJ00241
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