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Name
Formula / Structure
ExactMass
ID
8-methanesulfinyloctan-1-amine
1 spectrum
C9H21NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
191.33800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310896
8-methanesulfinyloctanenitrile
1 spectrum
C9H17NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.30600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310894
8-Methylsulfinyloctyl isothiocyanate
13 spectra
C10H19NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
233.39799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307233
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307235
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307237
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307239
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307241
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307243
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307245
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307247
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307249
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307251
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307253
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307255
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308768
8:1+2O fatty acyl hexoside
1 spectrum
C14H26O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.35400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309337
9-methanesulfinylnonanenitrile (isomer of 665)
1 spectrum
C10H19NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.33299
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310886
9-methanesulfinylnonanenitrile (isomer of 666)
1 spectrum
C10H19NOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.33299
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310885
9-methanesulfinylnonanoic acid
2 spectra
C10H20O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.33200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309218
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310888
9-Nitro-20(S)-camptothecin
26 spectra
C20H15N3O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
393.35501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301270
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301274
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301278
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301282
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301286
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301290
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301294
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301297
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301305
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301308
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301311
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305019
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305021
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305023
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305025
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305027
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305029
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305031
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305033
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305035
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305037
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305039
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305041
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308818
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310514
[6]-Gingerol
12 spectra
C17H26O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.18311
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307280
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307281
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307282
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307283
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307284
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307285
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307286
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307287
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307288
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307289
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307290
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308731
ABOA
1 spectrum
C9H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.15900
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311131
Acacetin
27 spectra
C16H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.06848
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020028
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302119
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302122
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302125
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302128
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302131
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302134
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302137
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302139
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302141
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302144
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302147
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302150
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305695
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305702
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305709
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305716
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305723
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305729
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305736
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305743
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305750
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305756
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305763
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305770
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308786
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310476
Acacetin-7-O-neohesperidoside
36 spectra
C28H32O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
592.17920
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302696
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302706
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302711
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302716
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302721
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302726
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302731
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302736
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302741
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302746
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302751
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306365
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306366
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306371
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306372
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306377
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306378
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306383
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306384
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306389
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306394
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306399
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306405
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306406
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306411
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306416
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306417
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306422
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306423
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306428
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306429
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308787
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309439
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310480
Acacetin-7-O-rutinoside
37 spectra
C28H32O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
592.54999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302626
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302632
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302638
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302644
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302650
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302656
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302662
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302668
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302674
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302680
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302686
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302692
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306285
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306286
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306292
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306293
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306299
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306306
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306312
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306313
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306319
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306325
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306326
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306332
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306333
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306339
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306340
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306346
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306347
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306353
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306354
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306360
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306361
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308789
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309438
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310479
Acaciin
3 spectra
C28H32O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
592.17920
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020027
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100356
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100803
Acetosyringone
1 spectrum
C10H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.20200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310780
Acetylaconitine
13 spectra
C36H49NO12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
687.78302
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301188
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301191
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301195
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301199
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301203
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301207
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301210
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301214
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301218
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301222
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301226
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301230
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310654
Acetylated camptothecin
1 spectrum
C22H20N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.41000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311100
Acetylcholine
2 spectra
[C7H16NO2]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.11810
LC-ESI-QTOF; MS2; CE:30 V; M+
MSBNK-RIKEN-PR100099
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; M+
MSBNK-RIKEN-PR100098
Acetylleucine (isomer of 164)
1 spectrum
C8H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.21201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309412
Acetylleucine (isomer of 165)
1 spectrum
C8H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.21201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309413
AcetylPhenylalanine
1 spectrum
C11H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.22900
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309403
Acetylproline
1 spectrum
C7H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
157.16901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311152
Aconitic acid
1 spectrum
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309126
Aconitic acid (not validated, isomer of 271)
1 spectrum
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310804
Aconitic acid (not validated, isomer of 273)
1 spectrum
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310803
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