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Name
Formula / Structure
ExactMass
ID
Estrone
6 spectra
C18H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.16199
LC-APCI-QTOF; MS; POSITIVE
BML81227
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00988
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00996
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML01004
LC-ESI-QTOF; MS; NEGATIVE
BML81226
LC-ESI-QTOF; MS; POSITIVE
BML81225
Etoposide
7 spectra
C29H32O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
588.18427
LC-APCI-QTOF; MS; NEGATIVE
BML81233
LC-APCI-QTOF; MS; POSITIVE
BML81232
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00525
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00534
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00543
LC-ESI-QTOF; MS; NEGATIVE
BML81231
LC-ESI-QTOF; MS; POSITIVE
BML81230
Fisetin
6 spectra
C15H10O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.04773
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00281
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00306
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00310
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00299
LC-ESI-QTOF; MS; NEGATIVE
BML81236
LC-ESI-QTOF; MS; POSITIVE
BML81235
Flindersine
8 spectra
C14H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.09464
LC-APCI-QTOF; MS; NEGATIVE
BML81243
LC-APCI-QTOF; MS; POSITIVE
BML81242
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01221
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML01239
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01227
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML01233
LC-ESI-QTOF; MS; NEGATIVE
BML81241
LC-ESI-QTOF; MS; POSITIVE
BML81240
Folic acid
8 spectra
C19H19N7O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
441.13968
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00959
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00986
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00968
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00994
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00977
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML01002
LC-ESI-QTOF; MS; NEGATIVE
BML81246
LC-ESI-QTOF; MS; POSITIVE
BML81245
Foliosidine
7 spectra
C16H21NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.14197
LC-APCI-QTOF; MS; NEGATIVE
BML81253
LC-APCI-QTOF; MS; POSITIVE
BML81252
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00005
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00018
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00031
LC-ESI-QTOF; MS; NEGATIVE
BML81251
LC-ESI-QTOF; MS; POSITIVE
BML81250
Formononetin
9 spectra
C16H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.07355
LC-APCI-QTOF; MS; NEGATIVE
BML81258
LC-APCI-QTOF; MS; POSITIVE
BML81257
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00163
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00204
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00177
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00217
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00230
LC-ESI-QTOF; MS; NEGATIVE
BML81256
LC-ESI-QTOF; MS; POSITIVE
BML81255
Forskolin
3 spectra
C22H34O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.23044
LC-APCI-QTOF; MS; NEGATIVE
BML82388
LC-ESI-QTOF; MS; NEGATIVE
BML82386
LC-ESI-QTOF; MS; POSITIVE
BML82385
Fraxetin
6 spectra
C10H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.03717
LC-APCI-QTOF; MS; NEGATIVE
BML81263
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00157
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00198
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00211
LC-ESI-QTOF; MS; NEGATIVE
BML81261
LC-ESI-QTOF; MS; POSITIVE
BML81260
Fructose (Generic Ketohexose)
3 spectra
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06339
LC-APCI-QTOF; MS; NEGATIVE
BML81268
LC-ESI-QTOF; MS; NEGATIVE
BML81266
LC-ESI-QTOF; MS; POSITIVE
BML81265
Fusaric acid
5 spectra
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
LC-APCI-QTOF; MS; POSITIVE
BML81272
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00604
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00612
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00620
LC-ESI-QTOF; MS; POSITIVE
BML81270
Genipin
5 spectra
C11H14O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.08412
LC-APCI-QTOF; MS; NEGATIVE
BML81278
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML01731
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML01738
LC-ESI-QTOF; MS; NEGATIVE
BML81276
LC-ESI-QTOF; MS; POSITIVE
BML81275
Genistein -7-O-Glc-Xyl, Acetate
10 spectra
C42H44O22
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
900.23242
LC-APCI-QTOF; MS; NEGATIVE
BML81283
LC-APCI-QTOF; MS; POSITIVE
BML81282
LC-ESI-QTOF; MS2; CE 10 ev; [M+CH3COOH-H]-
BML01623
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01597
LC-ESI-QTOF; MS2; CE 20 ev; [M+CH3COOH-H]-
BML01631
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01606
LC-ESI-QTOF; MS2; CE 40 ev; [M+CH3COOH-H]-
BML01639
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML01615
LC-ESI-QTOF; MS; NEGATIVE
BML81281
LC-ESI-QTOF; MS; POSITIVE
BML81280
Gibberellic Acid
6 spectra
C19H22O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
346.14163
LC-APCI-QTOF; MS; NEGATIVE
BML81288
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00497
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00505
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00513
LC-ESI-QTOF; MS; NEGATIVE
BML81286
LC-ESI-QTOF; MS; POSITIVE
BML81285
Ginkgolide A
8 spectra
C20H24O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.14203
LC-APCI-QTOF; MS; NEGATIVE
BML81293
LC-APCI-QTOF; MS; POSITIVE
BML81292
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00607
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00627
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00615
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00631
LC-ESI-QTOF; MS; NEGATIVE
BML81291
LC-ESI-QTOF; MS; POSITIVE
BML81290
Ginkgolide B
7 spectra
C20H24O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.13693
LC-APCI-QTOF; MS; NEGATIVE
BML81298
LC-APCI-QTOF; MS; POSITIVE
BML81297
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00589
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00594
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00599
LC-ESI-QTOF; MS; NEGATIVE
BML81296
LC-ESI-QTOF; MS; POSITIVE
BML81295
Glabranine
9 spectra
C20H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.13617
LC-APCI-QTOF; MS; NEGATIVE
BML81303
LC-APCI-QTOF; MS; POSITIVE
BML81302
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00108
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00140
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00120
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00147
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
BML00154
LC-ESI-QTOF; MS; NEGATIVE
BML81301
LC-ESI-QTOF; MS; POSITIVE
BML81300
Glucuronic acid
5 spectra
C6H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.04265
LC-APCI-QTOF; MS; NEGATIVE
BML81308
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00983
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00991
LC-ESI-QTOF; MS; NEGATIVE
BML81306
LC-ESI-QTOF; MS; POSITIVE
BML81305
Glutamic acid
8 spectra
C5H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.05316
LC-APCI-QTOF; MS; NEGATIVE
BML81313
LC-APCI-QTOF; MS; POSITIVE
BML81312
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01280
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML01298
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01286
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML01303
LC-ESI-QTOF; MS; NEGATIVE
BML81311
LC-ESI-QTOF; MS; POSITIVE
BML81310
Griseofulvin
1 spectrum
C17H17ClO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.07138
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00405
Guanosine
2 spectra
C10H13N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.09167
LC-ESI-QTOF; MS; NEGATIVE
BML81321
LC-ESI-QTOF; MS; POSITIVE
BML81320
Guanosine 5'-monophosphate
2 spectra
C10H14N5O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
363.05801
LC-ESI-QTOF; MS; NEGATIVE
BML81326
LC-ESI-QTOF; MS; POSITIVE
BML81325
Haploperoside C
5 spectra
C22H28O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
500.15298
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01534
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01546
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML01558
LC-ESI-QTOF; MS; NEGATIVE
BML81331
LC-ESI-QTOF; MS; POSITIVE
BML81330
Haploperoside C Acetate
8 spectra
C34H40O19
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
752.21637
LC-APCI-QTOF; MS; NEGATIVE
BML81338
LC-APCI-QTOF; MS; POSITIVE
BML81337
LC-ESI-QTOF; MS2; CE 10 ev; [M+CH3COOH-H]-
BML01681
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01648
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01659
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML01670
LC-ESI-QTOF; MS; NEGATIVE
BML81336
LC-ESI-QTOF; MS; POSITIVE
BML81335
Haploperozide
5 spectra
C28H38O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
646.21088
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML01535
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML01547
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML01559
LC-ESI-QTOF; MS; NEGATIVE
BML81341
LC-ESI-QTOF; MS; POSITIVE
BML81340
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