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2,992 Hit.
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Name
Formula / Structure
ExactMass
ID
7-Hydroxyrisperidone
5 spectra
C23H27FN4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
426.20673
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001031
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001032
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001033
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001034
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001035
8-Chlorotheophylline
5 spectra
C7H7ClN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.02576
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001670
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001669
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001668
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001667
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001666
8-Hydroxyamoxapine
5 spectra
C17H16ClN3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.09311
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002128
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002127
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002126
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002125
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002124
8-Hydroxyloxapine
5 spectra
C18H18ClN3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
343.10876
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002143
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002142
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002141
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002140
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002139
Abamectin B1a
4 spectra
C48H72O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
872.49219
LC-ESI-QQ; MS2; CE:10 V; [M+NH4]+
MSBNK-Waters-WA000011
LC-ESI-QQ; MS2; CE:20 V; [M+NH4]+
MSBNK-Waters-WA000012
LC-ESI-QQ; MS2; CE:30 V; [M+NH4]+
MSBNK-Waters-WA000013
LC-ESI-QQ; MS2; CE:40 V; [M+NH4]+
MSBNK-Waters-WA000014
Acamprosate
5 spectra
C5H11NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.04088
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001363
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001362
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001361
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001360
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA001359
Acarbose
7 spectra
C25H43NO18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
645.24799
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001370
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001369
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001368
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001367
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001366
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001365
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001364
Acebutolol
4 spectra
C18H28N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.20490
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000900
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000899
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000898
LC-ESI-Q; MS; POS; 60 V, 75 V
MSBNK-Waters-WA000897
Acefylline
3 spectra
C9H10N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.07021
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001358
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001357
LC-ESI-Q; MS; POS; 30 V, 45 V
MSBNK-Waters-WA001356
Acenocoumarol
6 spectra
C19H15NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
353.08994
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001218
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001217
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001216
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001215
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001214
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001213
Acepromazine (oxide)
5 spectra
C19H22N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.14529
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002138
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002137
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002136
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002135
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002134
Acepromethazine
6 spectra
C19H22N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.14529
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001212
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001211
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001210
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001209
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001208
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001207
Acetaminophen
6 spectra
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06332
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000486
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000485
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000484
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000483
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000482
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000481
Acetylsalicylic acid
4 spectra
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04227
LC-ESI-Q; MS; NEG; 15 V
MSBNK-Waters-WA000530
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA000529
LC-ESI-Q; MS; NEG; 45 V
MSBNK-Waters-WA000528
LC-ESI-Q; MS; NEG; 60 V, 90 V
MSBNK-Waters-WA000527
Acifluorfen
4 spectra
C14H7ClF3NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
360.99649
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Waters-WA000184
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Waters-WA000185
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Waters-WA000186
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Waters-WA000187
Acyclovir
5 spectra
C8H11N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
225.08620
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001206
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001205
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001204
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001203
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001202
Adrafinil
4 spectra
C15H15NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
289.07727
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001986
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001985
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001984
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA001983
Adrenalone
7 spectra
C9H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.07388
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001863
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001862
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001861
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001860
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001859
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001858
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001857
Ajmaline
4 spectra
C20H26N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.19943
LC-ESI-Q; MS; POS; 15 V, 45 V
MSBNK-Waters-WA002689
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002688
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002687
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002686
Albendazole sulfone
6 spectra
C12H15N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.07834
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001749
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001748
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001747
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001746
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001745
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001744
Alimemazine (oxide)
6 spectra
C18H22N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.14529
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002280
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002279
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002278
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002277
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002276
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002275
Allopurinol
5 spectra
C5H4N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.03851
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001355
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001354
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001353
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001352
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001351
alpha-Hydroxytriazolam
5 spectra
C17H12Cl2N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
358.03882
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000910
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000909
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000908
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000907
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000906
Alprazolam
5 spectra
C17H13ClN4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.08286
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000905
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000904
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000903
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000902
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000901
Alprenolol
4 spectra
C15H23NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
249.17288
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001982
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001981
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001980
LC-ESI-Q; MS; POS; 60 V, 75 V
MSBNK-Waters-WA001979
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