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2,626 Hit.
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Name
Formula / Structure
ExactMass
ID
Digoxin
3 spectra
C41H64O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.42963
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81103
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81101
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81100
Dihydrocapsaicin
10 spectra
C18H29NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.21475
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81108
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81107
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00748
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00768
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00755
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00773
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00762
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00778
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81106
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81105
Dihydroergocristine
10 spectra
C35H41N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
611.31079
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81113
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81112
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00474
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00500
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00483
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00508
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00492
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00516
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81111
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81110
Dihydroergotamine
4 spectra
C33H37N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
583.27948
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81118
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81117
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81116
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81115
Dihydroquercetin
8 spectra
C15H12O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.05829
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81123
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81122
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01255
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01273
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01276
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01279
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81121
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81120
DL-Leucine
3 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81127
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81126
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81125
DL-Methionine sulfoxide
4 spectra
C5H11NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.04596
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81133
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81132
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81131
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81130
DL-Norphenylephrine
4 spectra
C8H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.07898
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81138
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81137
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81136
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81135
DL-Thioctic acid
5 spectra
C8H14O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
206.04352
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81143
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01301
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01306
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81141
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81140
Eburnamonine
2 spectra
C19H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.17322
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81152
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81150
Emodin
4 spectra
C15H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.05283
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81158
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81157
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81156
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81155
Enoxolone
9 spectra
C30H46O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
470.33960
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81163
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81162
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00475
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00501
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00484
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00509
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00517
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81161
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81160
Ephedrine
2 spectra
C10H15NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.11536
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81167
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81165
epi-Pinoresinol
4 spectra
C20H22O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
358.14163
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82413
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82412
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82411
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82410
Epiandrosterone
2 spectra
C19H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.22458
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81172
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81170
Epinephrine
6 spectra
C9H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.08954
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81178
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01112
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01158
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01167
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81176
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81175
Ergocalciferol
1 spectrum
C28H44O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
396.33920
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81182
Ergocornine
4 spectra
C31H39N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
561.29510
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81188
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81187
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81186
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81185
Ergocristine
4 spectra
C35H39N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
609.29510
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81193
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81192
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81191
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81190
Ergonovine
4 spectra
C19H23N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
325.17902
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81198
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81197
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81196
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81195
Erythromycin
2 spectra
C37H67NO13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
733.46124
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81201
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81200
erythromycin ethylsuccinate
3 spectra
C43H75NO16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
861.50861
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81208
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81206
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81205
Esculetin
8 spectra
C9H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.02661
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81213
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81212
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01641
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01674
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01652
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01684
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81211
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81210
Esculin
9 spectra
C15H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.07944
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81218
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81217
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00468
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00495
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00503
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00486
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00511
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81216
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81215
Eserine
5 spectra
C15H21N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
275.16339
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81222
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00347
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00357
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00367
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81220
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