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Name
Formula / Structure
ExactMass
ID
1,9-dimethyluric acid
8 spectra
C7H8N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.05965
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80143
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80142
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01703
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01730
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01712
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01737
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80141
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80140
1-(2,3-dibenzimidazol-2-ylpropyl)-2-methoxybenzene
9 spectra
C24H22N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
382.17935
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80113
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80112
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00003
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00041
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00016
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00049
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00029
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80111
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80110
1-Methylhistamine
2 spectra
C6H11N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.09530
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80182
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80180
10-deacetylbaccatin (10-DAB)
4 spectra
C29H36O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
544.23083
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82393
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82392
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82391
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82390
10-hydroxy-Camptothecin
4 spectra
C20H16N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
364.10593
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82448
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82447
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82446
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82445
11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,...
10 spectra
C23H25BrN2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
456.10486
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80153
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80152
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00870
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00893
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00879
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00898
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00888
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00903
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80151
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80150
11-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-chlo...
10 spectra
C24H27ClN6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
482.18332
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80158
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80157
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01647
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01680
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01658
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01690
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01669
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01700
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80156
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80155
11-(phenylcarbonyl)-7,11-diazatricyclo[7.3.1.0<2,7...
4 spectra
C18H18N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.13684
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80162
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01353
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01360
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80160
11-alpha-Acetoxyprogesterone
4 spectra
C23H32O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
372.23007
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80167
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01709
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01718
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80165
12-(3-Hydroxyethyl)-cytisine
2 spectra
C13H18N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
234.13683
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80172
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80170
12-[(2,4-dimethoxyphenyl)carbonyl]-6a,6b,10,11,11a...
4 spectra
C25H23NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
433.15253
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80178
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80177
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80176
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80175
2',3',6-Trimethoxyflavone
5 spectra
C18H16O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.09976
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80202
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01257
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01263
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01269
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80200
2',3'-Dideoxyadenosine
5 spectra
C10H13N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
235.10692
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80207
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01465
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01480
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01495
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80205
2',3'-Dideoxythymidine
6 spectra
C10H14N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.09535
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80213
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01377
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01404
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01386
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80211
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80210
2',4-Dihydroxychalcone
10 spectra
C15H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.07864
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80218
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80217
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01285
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01302
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01291
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01307
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01297
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01312
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80216
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80215
2',5-Dimethoxyflavone
5 spectra
C17H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.08920
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80222
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01757
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01768
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01779
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80220
2',6-Dihydroxyflavanone
9 spectra
C15H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.07355
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80228
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80227
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01469
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01512
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01484
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01520
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01528
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80226
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80225
2',6-Dihydroxyflavone
10 spectra
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.05791
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80233
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80232
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01470
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01513
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01485
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01521
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01500
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01529
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80231
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80230
2'-Deoxyadenosine
7 spectra
C10H13N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
251.10184
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80248
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80247
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01219
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01225
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01231
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80246
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80245
2'-Deoxyadenosine-5'-monophosphoric acid
2 spectra
C10H14N5O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.06818
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80251
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80250
2'-Deoxycytidine
4 spectra
C9H13N3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.09061
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80258
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80257
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80256
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80255
2'-Deoxycytidine 5'-monophosphate
7 spectra
C9H14N3O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.05695
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01184
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01202
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01190
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01207
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01196
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80261
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80260
2'-Deoxyguanosine 5'-monophosphate
2 spectra
C10H14N5O7P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
347.06308
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80266
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80265
2'-Hydroxy-a-naphthoflavone
10 spectra
C19H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.07864
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80273
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80272
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00321
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00336
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00326
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00341
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00331
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00346
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80271
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80270
2'-O-Methylcytidine
9 spectra
C10H15N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
257.10117
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80278
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80277
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01421
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01442
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01428
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML01449
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML01435
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80276
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80275
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