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Name
Formula / Structure
ExactMass
ID
Soyasaponin Ba
32 spectra
C48H78O19
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
959.13300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304289
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304293
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304297
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304305
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304309
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304313
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304315
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304320
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304324
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304328
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308332
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308333
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308337
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308342
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308343
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308348
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308349
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308354
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308355
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308358
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308362
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308363
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308367
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308372
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308373
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308377
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308382
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308386
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308704
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308929
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310679
Soyasaponin Bb
34 spectra
C48H78O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
943.13397
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304291
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304295
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304299
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304303
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304307
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304311
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304317
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304319
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304322
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304326
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304330
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308335
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308336
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308339
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308340
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308345
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308346
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308351
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308352
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308357
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308359
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308360
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308365
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308369
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308370
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308375
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308379
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308384
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308388
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308389
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308927
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308928
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310678
Sparteine
13 spectra
C15H26N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
234.38699
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301029
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301034
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301039
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301044
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301049
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301054
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301059
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301064
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301069
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301074
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301079
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301084
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310555
Speciofiline
25 spectra
C21H24N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.43301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300443
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300446
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300450
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300454
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300458
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300462
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300466
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300470
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300474
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300478
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300482
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300486
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304748
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304750
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304752
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304754
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304756
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304758
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304760
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304762
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304764
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304766
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304768
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304770
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310623
Speciophylline
25 spectra
C21H24N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.43301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300384
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300389
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300394
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300399
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300404
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300409
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300414
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300419
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300424
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300429
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300434
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300438
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304723
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304725
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304727
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304729
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304731
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304733
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304735
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304737
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304739
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304741
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304743
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304745
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310622
Speciosine
26 spectra
C28H31NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
477.55701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300832
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300836
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300840
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300844
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300848
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300852
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300855
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300859
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300863
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300867
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300871
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300875
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304873
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304875
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304877
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304879
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304881
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304883
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304885
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304887
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304889
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304891
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304893
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304894
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308886
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310643
Spermidine
1 spectrum
C7H19N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.15790
GC-EI-TOF; MS; 5 TMS; BP:73
MSBNK-RIKEN-PR010234
Spermine
2 spectra
C10H26N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.21574
GC-EI-TOF; MS; 5 TMS; BP:73
MSBNK-RIKEN-PR010235
GC-EI-TOF; MS; 5 TMS; BP:73
MSBNK-RIKEN-PR010236
Spiraeoside
3 spectra
C21H20O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
464.09549
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020081
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100365
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100814
Spirostane + 1O, -2H, O-Hex-dHex-dHex
2 spectra
C45H72O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
885.05402
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308978
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308979
Spirostane + 2O, -2H, O-Hex, O-Hex-dHex-dHex
1 spectrum
C51H82O23
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1063.19397
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308991
Spirostane + 2O, -2H, O-Hex-dHex-dHex
2 spectra
C45H72O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
901.05298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308980
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308981
Spirostane -2H, + 1O, O-Hex-dHex, C6H9O4
3 spectra
C45H70O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
883.03802
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308975
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308976
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310705
Spirostane -2H, + 1O, O-Hex-dHex-dHex
1 spectrum
C45H72O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
885.05402
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310708
Spirostane -2H, + 1O, O-Hex-Hex, C6H9O4
1 spectrum
C45H70O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
899.03699
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308977
Spirostane -2H, + 1O, O-Pen-dHex
2 spectra
C38H60O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
708.88599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308969
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310699
Spirostane -2H, + 2O, O-Hex, O-Hex-dHex-dHex
1 spectrum
C51H82O23
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1063.19397
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310723
Spirostane -2H, + 2O, O-Hex-dHex-dHex
1 spectrum
C45H72O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
901.05298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310710
Stearic acid
1 spectrum
C18H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.27151
GC-EI-TOF; MS; 1 TMS; BP:73
MSBNK-RIKEN-PR010237
Strictosamide
3 spectra
C26H30N2O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
498.53201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309371
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309372
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311107
Strictosidine
1 spectrum
C27H34N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
530.57397
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311110
Strictosidinic acid
1 spectrum
C26H32N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
516.54700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311109
Strychnine
13 spectra
C21H22N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
334.41901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300490
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300495
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300500
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300505
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300510
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300515
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300519
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300524
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300529
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300534
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300539
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300543
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310586
Suberic acid (Not validated)
1 spectrum
C8H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.19600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309130
Subsessiline
25 spectra
C43H48N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
716.87903
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300326
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300330
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300335
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300340
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300345
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300350
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300355
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300360
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300365
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300370
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300375
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304679
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304683
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304687
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304691
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304695
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304699
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304703
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304707
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304711
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304718
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308893
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310656
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