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Name
Formula / Structure
ExactMass
ID
Betaine
2 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100444
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100443
Biflavonoid-flavone base + 3MeO and flavone base +...
2 spectra
C36H30O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
622.62598
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311123
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311124
Biflavonoid-flavone base + 3O and flavanone base +...
2 spectra
C31H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
554.50702
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309381
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311121
Biflavonoid-flavone base + 3O and flavone base + 2...
2 spectra
C31H20O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
552.49103
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311120
Biflavonoid-flavone base + 3O and flavone base + 3...
1 spectrum
C35H26O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
606.58301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311122
Biochanin A
26 spectra
C16H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.26700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302075
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302078
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302082
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302086
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302090
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302093
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302097
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302104
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302108
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302112
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302116
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305637
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305642
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305647
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305652
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305656
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305661
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305665
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305670
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305675
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305680
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305684
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305688
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309428
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310861
Biochanin-7-O-glucoside
35 spectra
C22H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.40799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302862
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302868
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302874
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302880
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302886
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302892
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302898
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302904
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302910
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302916
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302922
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302928
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306551
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306552
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306557
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306558
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306563
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306564
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306569
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306570
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306575
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306576
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306581
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306582
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306587
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306588
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306593
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306598
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306603
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306604
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306609
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306614
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308752
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308753
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310865
Boldine
26 spectra
C19H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.38000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301090
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301094
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301098
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301102
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301106
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301110
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301114
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301118
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301122
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301126
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301130
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301134
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304987
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304988
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304989
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304990
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304991
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304992
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304993
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304994
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304995
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304996
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304997
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304998
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308864
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310581
Brugierol (Not validated)
1 spectrum
C3H6O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.20900
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308952
Bufalin
12 spectra
C24H34O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.53201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303617
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303618
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303619
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303620
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303621
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303622
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303623
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303624
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303625
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307473
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308820
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310516
But-3-enylglucosinolate
2 spectra
C11H19NO9S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
373.05011
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K-2H]-
MSBNK-RIKEN-PR100883
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K]+
MSBNK-RIKEN-PR100426
Butyryl carnitine (isomer of 919)
1 spectrum
C11H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.29201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311165
Butyryl carnitine (isomer of 920)
1 spectrum
C11H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.29201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311166
Cadaverine
2 spectra
C5H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
102.11570
GC-EI-TOF; MS; 4 TMS; BP:174
MSBNK-RIKEN-PR010010
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100024
Caffeic acid
10 spectra
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04227
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010139
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010140
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311118
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040214
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040212
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040213
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100110
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H-CO2]-
MSBNK-RIKEN-PR040211
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040210
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100533
Caffeic acid hexoside
1 spectrum
C15H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309375
Caffeine
3 spectra
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.08038
GC-EI-TOF; MS; BP:194
MSBNK-RIKEN-PR010011
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100026
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100025
Caffeoyl lysine
2 spectra
C15H20N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.33401
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309376
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311113
Caffeoyl putrescin (isomer of 1059)
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311112
Caffeoyl putrescin (isomer of 1060)
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311111
Caffeoyl putrescin (isomer of 390)
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309373
Caffeoyl putrescin (isomer of 391)
1 spectrum
C13H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.29800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309374
Caffeoyl quinic acid
1 spectrum
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.31100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310745
Caffeoyl quinic acid (isomer of 831, 832, 833)
1 spectrum
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.31100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309018
Caffeoyl quinic acid (isomer of 831, 832, 834)
1 spectrum
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.31100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309017
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