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Name
Formula / Structure
ExactMass
ID
Chalcone base + 3O, 1MeO, 1Prenyl
3 spectra
C21H22O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.40201
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309048
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309049
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310777
Chalcone base + 3O, 1Prenyl
1 spectrum
C20H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.37601
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309045
Chelerythrine
8 spectra
[C21H18NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
348.37799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301707
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301710
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301713
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301722
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301731
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301737
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301740
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310598
Chikusetsusaponin IV
6 spectra
C47H74O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
927.09100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307603
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307620
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307625
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307636
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308697
Cholic acid
2 spectra
C24H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.28757
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100738
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100737
Choline
1 spectrum
[C5H14NO]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.10754
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100404
Chrysanthellin A
14 spectra
C58H94O25
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1191.36499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305270
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305271
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305273
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305274
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305276
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305277
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305279
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305280
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305281
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305282
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305284
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305287
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305289
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308708
Chrysanthellin B
16 spectra
C58H94O26
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1207.36401
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301854
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301858
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301859
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301862
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301863
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301864
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305291
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305294
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305295
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305299
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305303
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305304
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305307
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308706
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308709
Chrysin
10 spectra
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.24100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303382
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303388
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303391
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303394
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303405
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303410
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307094
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307097
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307121
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307124
Ciliatine
1 spectrum
C2H8NO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.02418
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100079
Cinchonidine
6 spectra
C19H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.39801
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301811
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301827
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301833
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301840
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301848
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310569
Cinchonine
7 spectra
C19H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.39801
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300880
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300884
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300888
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300899
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300911
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300918
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310567
Cinobufagin
10 spectra
C26H34O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
442.55200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303589
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303592
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303594
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303598
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307459
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307460
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307461
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308821
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310517
cis-Aconitic acid
1 spectrum
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.01643
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010012
cis-Cinnamic acid
6 spectra
C9H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.16100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303005
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303019
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303024
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303033
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303043
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310501
cis-Nerolidol
1 spectrum
C15H26O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.19836
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100372
cis-resveratrol
13 spectra
C14H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.24699
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304156
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304164
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304166
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304168
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304170
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304172
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304174
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304178
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308209
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308211
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308213
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308219
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308223
cis-Zeatin
2 spectra
C10H13N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.11201
LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+
MSBNK-RIKEN-PR020090
LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+
MSBNK-RIKEN-PR020091
Citraconic acid
1 spectrum
C5H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.02661
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100761
Citric acid
2 spectra
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.02699
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-RIKEN-PR010003
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100481
Citric acid (Not validated, isomer of 227)
1 spectrum
C6H8O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.12300
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309128
Conessine
11 spectra
C24H40N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
356.59799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301588
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301592
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301596
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301604
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301608
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301612
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301616
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301620
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301624
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301632
Coniferyl alcohol + O-Hex
1 spectrum
C16H22O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.34399
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309063
Coniferyl aldehyde
12 spectra
C10H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.18700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303352
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303355
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303361
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303367
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307063
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307074
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307076
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307079
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307084
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307087
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307090
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311175
Convolidine
12 spectra
C15H19NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
277.32001
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301454
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301462
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301490
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305114
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305116
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305120
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305122
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305124
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305126
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305128
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305130
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308857
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