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Name
Formula / Structure
ExactMass
ID
Sulfanilamide
5 spectra
C6H8N2O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.03065
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003992
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003993
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003994
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003995
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003996
Sulfanilic acid
5 spectra
C6H7NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.01466
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001847
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001848
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001849
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001850
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001851
Sulfathiazole
14 spectra
C9H9N3O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.01363
LC-ESI-IT; MS2; m/z: 256; [M+H]+
MSBNK-Keio_Univ-KO009251
LC-ESI-IT; MS3; m/z: 256/108; [M+H]+
MSBNK-Keio_Univ-KO009253
LC-ESI-IT; MS3; m/z: 256/156; [M+H]+
MSBNK-Keio_Univ-KO009252
LC-ESI-IT; MS3; m/z: 256/92; [M+H]+
MSBNK-Keio_Univ-KO009254
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004057
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001852
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004058
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001853
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004059
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001854
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004060
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001855
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004061
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001856
Sulindac
10 spectra
C20H17FO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
356.08823
LC-ESI-IT; MS2; m/z: 357; [M+H]+
MSBNK-Keio_Univ-KO009077
LC-ESI-IT; MS3; m/z: 357/248; [M+H]+
MSBNK-Keio_Univ-KO009080
LC-ESI-IT; MS3; m/z: 357/297; [M+H]+
MSBNK-Keio_Univ-KO009079
LC-ESI-IT; MS3; m/z: 357/340; [M+H]+
MSBNK-Keio_Univ-KO009078
LC-ESI-IT; MS4; m/z: 357/297/280; [M+H]+
MSBNK-Keio_Univ-KO009081
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004047
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004048
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004049
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004050
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004051
Synephrine
5 spectra
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.09464
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004052
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004053
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004054
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004055
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004056
Syringic acid
5 spectra
C9H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.05283
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001812
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001813
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001814
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001815
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001816
Tartronic acid
5 spectra
C3H4O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.00587
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001923
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001924
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001925
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001926
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001927
Taurine
10 spectra
C2H7NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.01466
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004077
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001872
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004078
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001873
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004079
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001874
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004080
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001875
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004081
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001876
Taurocholic acid
10 spectra
C26H45NO7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
515.29169
LC-ESI-IT; MS2; m/z: 516; [M+H]+
MSBNK-Keio_Univ-KO009287
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004167
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001918
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004168
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001919
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004169
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001920
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001921
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004170
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001922
Taurolithocholic acid
5 spectra
C26H45NO8S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
563.25867
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001953
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001954
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001955
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001956
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001957
Terbutaline
10 spectra
C12H19NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
225.13649
LC-ESI-IT; MS2; m/z: 226; [M+H]+
MSBNK-Keio_Univ-KO009267
LC-ESI-IT; MS3; m/z: 226/152; [M+H]+
MSBNK-Keio_Univ-KO009270
LC-ESI-IT; MS3; m/z: 226/170; [M+H]+
MSBNK-Keio_Univ-KO009269
LC-ESI-IT; MS3; m/z: 226/208; [M+H]+
MSBNK-Keio_Univ-KO009268
LC-ESI-IT; MS4; m/z: 226/152/125; [M+H]+
MSBNK-Keio_Univ-KO009271
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004241
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004242
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004243
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004244
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004245
Terephthalic acid
5 spectra
C8H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.02661
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001958
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001959
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001960
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001961
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001962
Tetrahydropalmatine
9 spectra
C21H25NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
355.17838
LC-ESI-IT; MS2; m/z: 356; [M+H]+
MSBNK-Keio_Univ-KO009283
LC-ESI-IT; MS3; m/z: 356/150; [M+H]+
MSBNK-Keio_Univ-KO009286
LC-ESI-IT; MS3; m/z: 356/165; [M+H]+
MSBNK-Keio_Univ-KO009285
LC-ESI-IT; MS3; m/z: 356/192; [M+H]+
MSBNK-Keio_Univ-KO009284
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004162
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004163
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004164
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004165
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004166
Theobromine
5 spectra
C7H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06473
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004122
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004123
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004124
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004125
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004126
Theophylline
10 spectra
C7H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06473
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004132
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001904
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004133
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001905
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004134
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001906
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004135
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001907
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004136
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001908
Thiabendazole
6 spectra
C10H7N3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.03607
LC-ESI-IT; MS2; m/z: 202; [M+H]+
MSBNK-Keio_Univ-KO009276
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004127
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004128
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004129
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004130
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004131
Thiamine
13 spectra
[C12H17N4OS]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.11230
LC-ESI-IT; MS2; m/z: 265; [M+H]+
MSBNK-Keio_Univ-KO009294
LC-ESI-IT; MS3; m/z: 265/122; [M+H]+
MSBNK-Keio_Univ-KO009296
LC-ESI-IT; MS3; m/z: 265/144; [M+H]+
MSBNK-Keio_Univ-KO009295
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004186
LC-ESI-QQ; MS2; CE:10 V; [M-2H]-
MSBNK-Keio_Univ-KO001933
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004187
LC-ESI-QQ; MS2; CE:20 V; [M-2H]-
MSBNK-Keio_Univ-KO001934
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004188
LC-ESI-QQ; MS2; CE:30 V; [M-2H]-
MSBNK-Keio_Univ-KO001935
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004189
LC-ESI-QQ; MS2; CE:40 V; [M-2H]-
MSBNK-Keio_Univ-KO001936
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004190
LC-ESI-QQ; MS2; CE:50 V; [M-2H]-
MSBNK-Keio_Univ-KO001937
Thiamine monophosphate
14 spectra
[C12H18N4O4PS]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
345.07864
LC-ESI-IT; MS2; m/z: 345; [M+H]+
MSBNK-Keio_Univ-KO009297
LC-ESI-IT; MS3; m/z: 345/122; [M+H]+
MSBNK-Keio_Univ-KO009299
LC-ESI-IT; MS3; m/z: 345/224; [M+H]+
MSBNK-Keio_Univ-KO009298
LC-ESI-IT; MS4; m/z: 345/224/126; [M+H]+
MSBNK-Keio_Univ-KO009300
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004191
LC-ESI-QQ; MS2; CE:10 V; [M-2H]-
MSBNK-Keio_Univ-KO001938
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004192
LC-ESI-QQ; MS2; CE:20 V; [M-2H]-
MSBNK-Keio_Univ-KO001939
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004193
LC-ESI-QQ; MS2; CE:30 V; [M-2H]-
MSBNK-Keio_Univ-KO001940
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004194
LC-ESI-QQ; MS2; CE:40 V; [M-2H]-
MSBNK-Keio_Univ-KO001941
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004195
LC-ESI-QQ; MS2; CE:50 V; [M-2H]-
MSBNK-Keio_Univ-KO001942
Thiamine pyrophosphate
10 spectra
[C12H19N4O7P2S]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
425.04498
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002582
LC-ESI-QQ; MS2; CE:10 V; [M-2H]-
MSBNK-Keio_Univ-KO000471
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002583
LC-ESI-QQ; MS2; CE:20 V; [M-2H]-
MSBNK-Keio_Univ-KO000472
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002584
LC-ESI-QQ; MS2; CE:30 V; [M-2H]-
MSBNK-Keio_Univ-KO000473
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002585
LC-ESI-QQ; MS2; CE:40 V; [M-2H]-
MSBNK-Keio_Univ-KO000474
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002586
LC-ESI-QQ; MS2; CE:50 V; [M-2H]-
MSBNK-Keio_Univ-KO000475
threo-beta-Hydroxyaspartic acid
5 spectra
C4H7NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.03242
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001125
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001126
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001127
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001128
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001129
Thymidine
14 spectra
C10H14N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.09027
LC-ESI-IT; MS2; m/z: 243; [M+H]+
MSBNK-Keio_Univ-KO009272
LC-ESI-IT; MS3; m/z: 243/117; [M+H]+
MSBNK-Keio_Univ-KO009274
LC-ESI-IT; MS3; m/z: 243/127; [M+H]+
MSBNK-Keio_Univ-KO009273
LC-ESI-IT; MS3; m/z: 243/99; [M+H]+
MSBNK-Keio_Univ-KO009275
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004092
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001881
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004093
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001882
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004094
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001883
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004095
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001884
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004096
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001885
Thymine
10 spectra
C5H6N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
126.04293
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004097
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001886
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004098
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001887
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004099
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001888
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004100
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001889
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004101
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001890
Tiglic acid
4 spectra
C5H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
100.05243
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001891
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001892
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001893
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001894
Timolol
9 spectra
C13H24N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
316.15692
LC-ESI-IT; MS2; m/z: 317; [M+H]+
MSBNK-Keio_Univ-KO009303
LC-ESI-IT; MS3; m/z: 317/244; [M+H]+
MSBNK-Keio_Univ-KO009305
LC-ESI-IT; MS3; m/z: 317/261; [M+H]+
MSBNK-Keio_Univ-KO009304
LC-ESI-IT; MS4; m/z: 317/261/188; [M+H]+
MSBNK-Keio_Univ-KO009306
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004216
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004217
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004218
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004219
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004220
Tioconazole
7 spectra
C16H13Cl3N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
385.98141
LC-ESI-IT; MS2; m/z: 387; [M+H]+
MSBNK-Keio_Univ-KO009265
LC-ESI-IT; MS3; m/z: 387/199; [M+H]+
MSBNK-Keio_Univ-KO009266
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO004236
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO004237
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO004238
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO004239
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO004240
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