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Name
Formula / Structure
ExactMass
ID
Rosmarinic acid (not validated)
1 spectrum
C18H16O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
360.31799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311114
Rutin
1 spectrum
C27H30O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
610.15338
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020080
S(8-8)S hexoside
1 spectrum
C28H36O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
580.58301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309177
S-(2-Carboxypropyl)glutathione
1 spectrum
C14H23N3O8S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
393.41599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309068
S-Adenosyl-L-homocysteine
2 spectra
C14H20N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
384.12158
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100198
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100604
S-Adenosyl-L-methionine
4 spectra
C15H22N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
398.13724
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010025
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010120
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100076
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100378
S-Carboxymethyl-L-cysteine
2 spectra
C5H9NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.02522
GC-EI-TOF; MS; n TMS; BP:73
MSBNK-RIKEN-PR010232
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100199
S-Lactoylglutathione
2 spectra
C13H21N3O8S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
379.10495
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100314
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100746
S-Sulforaphene
3 spectra
C6H9NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.01256
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100425
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101040
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100982
S4:16(P3:14/F1:2)
2 spectra
C28H46O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
622.66101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309007
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310738
S4:17(P3:15/F1:2)
2 spectra
C29H48O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
636.68799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309008
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310739
S4:18(P3:16/F1:2)
2 spectra
C30H50O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
650.71503
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309009
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310740
S4:19(P3:17/F1:2)
2 spectra
C31H52O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
664.74200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309010
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310741
S4:20(P3:18/F1:2)
2 spectra
C32H54O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
678.76898
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309011
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310742
Sabinene
2 spectra
C10H16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.12520
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100376
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100375
Safranine
1 spectrum
[C20H19N4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
315.16098
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100468
Saikosaponin a
34 spectra
C42H68O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.99298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303805
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303810
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303813
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303817
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303823
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303827
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303830
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303833
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307692
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307693
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307697
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307698
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307702
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307705
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307706
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307710
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307711
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307714
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307715
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307719
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307720
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307724
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307725
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307729
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307730
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307732
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307733
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307736
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307737
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307740
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307741
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308692
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308695
Saikosaponin b2
37 spectra
C42H68O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.99298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303842
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303846
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303850
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303854
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303858
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303862
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303866
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303870
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303874
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303878
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303882
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303886
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307746
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307747
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307751
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307752
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307756
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307757
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307761
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307762
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307766
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307767
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307771
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307775
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307776
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307780
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307781
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307785
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307786
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307790
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307791
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307795
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307796
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307800
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307801
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308693
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308696
Saikosaponin C
30 spectra
C48H78O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
927.13501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304348
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304352
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304356
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304360
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304364
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304371
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304378
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304382
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304386
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304390
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308433
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308434
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308439
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308440
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308444
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308449
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308453
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308454
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308458
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308462
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308465
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308469
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308470
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308475
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308479
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308483
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308484
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308698
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308701
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310403
Saikosaponin D
34 spectra
C42H68O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.99298
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304350
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304354
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304358
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304362
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304366
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304369
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304373
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304376
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304384
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304388
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304392
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308437
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308438
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308442
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308443
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308447
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308448
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308452
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308456
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308457
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308461
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308463
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308464
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308467
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308468
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308473
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308474
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308478
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308481
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308482
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308486
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308487
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310401
Sakuranetin
27 spectra
C16H14O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.08411
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020021
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302346
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302352
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302358
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302364
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302369
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302375
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302385
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302390
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302395
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302401
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302406
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306012
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306018
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306024
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306030
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306036
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306042
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306048
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306053
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306059
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306065
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306071
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306076
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309313
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311001
Sanguinarine
13 spectra
[C20H14NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
332.33499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301637
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301640
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301643
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301646
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301648
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301651
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301653
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301656
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301659
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301662
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301665
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301668
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310584
Saponarin
1 spectrum
C27H30O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.15845
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020030
Sarcosine
1 spectrum
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010146
Schisandrin
12 spectra
C24H32O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.51300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304027
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304028
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304029
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304030
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304031
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304032
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304033
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304034
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304035
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304036
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304037
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304038
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