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271 Hit.
( 1 - 55 Displayed )
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Name
Formula / Structure
ExactMass
ID
(R,S)-Equol
3 spectra
C15H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.09430
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000072
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000014
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000211
1-Naphthalenesulfonic acid
2 spectra
C10H8O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.01939
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000016
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000213
1-Naphthol
1 spectrum
C10H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.05750
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000017
1H-Benzimidazole
4 spectra
C7H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.05310
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000073
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000015
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000144
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000212
2,4-Dichlorophenoxyacetic Acid
1 spectrum
C8H6Cl2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.96941
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000214
2,4-Dinitroaniline
2 spectra
C6H5N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.02800
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000018
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000215
2,4-Dinitrophenol
1 spectrum
C6H4N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.01199
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000001
2-Bromo-4,6-dinitroaniline
2 spectra
C6H4BrN3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.93851
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000019
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000216
2-Hydroxybenzimidazole
3 spectra
C7H6N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
134.04800
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000074
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000020
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000145
2-Naphthalenesulfonic acid
2 spectra
C10H8O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.01939
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000021
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000217
2-Naphthol
1 spectrum
C10H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.05750
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000022
2-Nitrophenol
1 spectrum
C6H5NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.02690
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000002
3,3,5,5-Tetrabromobisphenol A
2 spectra
C15H12Br4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
539.75708
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000023
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000218
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol
2 spectra
C15H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.17760
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000024
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000219
3,5-Dinitrosalicylic acid
1 spectrum
C7H4N2O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.00180
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000003
4-Methyl-1H-benzotriazole
4 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000075
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000025
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000146
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000220
4-Methyl-2-nitrophenol
1 spectrum
C7H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.04260
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000004
5,6-Dimethylbenzimidazole
4 spectra
C9H10N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.08440
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000076
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000026
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000147
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000221
5-Methyl-1H-benzotriazole
4 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000077
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000027
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000148
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000222
5-Nitrosalicylic acid
1 spectrum
C7H5NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.01680
LC-ESI-QFT; MS2; CE:40; R=30000; [M-H]-
MSBNK-ACES_SU-AS000005
6-Chloro-2,4-dinitroaniline
2 spectra
C6H4ClN3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.98900
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000028
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000223
Acesulfam
2 spectra
C4H5NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.99390
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000029
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000224
Aspirin
2 spectra
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04230
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000078
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000149
Atenolol
3 spectra
C14H22N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.16299
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000079
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000150
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000225
Atrazine
4 spectra
C8H14ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.09380
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000080
LC-APCI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000030
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M+H]+
MSBNK-ACES_SU-AS000151
LC-ESI-QFT; MS2; CE: Ramp 20%-70% (nominal); R=30000; [M-H]-
MSBNK-ACES_SU-AS000226
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