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Name
Formula / Structure
ExactMass
ID
Quercetin 3-glycoside, disaccharide
4 spectra
C27H30O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.53058
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03010
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03011
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03012
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03009
Quinine
5 spectra
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.42651
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02631
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02630
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02629
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02632
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000136
Raffinose
4 spectra
C18H32O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
504.44611
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA00979
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA00978
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA00977
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA00980
Reserpinine
5 spectra
C22H26N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
382.46350
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01246
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01247
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01248
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01245
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000142
Resistomycin
5 spectra
C22H16O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.36920
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01623
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01622
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01621
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01624
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000338
retronecine
4 spectra
C8H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.19830
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03379
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03378
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03377
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03380
Retrorsine
5 spectra
C18H25NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
351.40311
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01295
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01294
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01293
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01296
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000043
Ribalinine
5 spectra
C15H17NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
259.30759
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01434
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01435
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01436
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01433
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000010
Rizinsan A
10 spectra
C42H65NO16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
839.98352
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00091
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02330
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00090
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02331
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00089
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02332
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00092
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02329
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000487
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000488
Roemerine
5 spectra
C18H17NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
279.34171
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00894
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00895
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00896
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00893
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000088
Rosamicin
9 spectra
C31H51NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
581.75342
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02402
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04591
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02403
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04590
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02404
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04589
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02401
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04592
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000343
Rotenone
5 spectra
C23H22O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
394.42819
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00771
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00770
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00769
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00772
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000307
Salazinic acid
1 spectrum
C18H12O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.29031
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000270
Salutaridine
5 spectra
C19H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.38351
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02339
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02338
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02337
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02340
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000117
Samarcandin
5 spectra
C24H32O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
400.51959
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00867
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00866
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00865
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00868
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000229
Sanguinarine
1 spectrum
[C20H14NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
332.33890
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000090
Scopadonnine
1 spectrum
C34H38N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.69177
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000056
Scopolamine
5 spectra
C17H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.36121
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00066
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00067
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00068
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00065
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000048
Selinidin
5 spectra
C19H20O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.36829
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00387
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00386
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00385
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00388
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000231
Sinomenine
5 spectra
C19H23NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
329.39951
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00286
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00287
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00288
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00285
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000118
sipeimine
4 spectra
C27H43NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
429.64871
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03122
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03123
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03124
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA03121
Sipeimine, 3-Ac
4 spectra
C29H45NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
471.68631
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00131
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00130
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00129
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00132
Sipeimone
1 spectrum
C27H41NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.63269
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000170
Skimmianine
5 spectra
C14H13NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
259.26401
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00610
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00611
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00612
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA00609
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000009
Smilagenin ((3beta,5beta,25R)-form)
4 spectra
C27H44O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.64990
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02758
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02759
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02760
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02757
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