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Name
Formula / Structure
ExactMass
ID
Paeoniflorin
25 spectra
C23H28O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
480.16315
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307372
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307373
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307374
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307375
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307376
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307377
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307378
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307379
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307381
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307382
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307383
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307384
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307385
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307386
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307387
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307388
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307389
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307390
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307391
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307392
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307393
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307394
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308712
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308714
Paeonol
13 spectra
C9H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.17599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303529
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303530
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303531
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303532
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303533
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303534
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303535
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303536
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303537
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303538
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303539
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303540
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310436
Palatinose
2 spectra
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.11621
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100471
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100934
Palmatine
12 spectra
[C21H22NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.41000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300601
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300606
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300611
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300616
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300621
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300626
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300630
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300635
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300640
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300645
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300650
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310599
Palmitic acid
1 spectrum
C16H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.24023
GC-EI-TOF; MS; 1 TMS; BP:73
MSBNK-RIKEN-PR010202
Pantothenic acid (Not validated)
1 spectrum
C9H17NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.23700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309343
Pantothenic acid (not validated)
1 spectrum
C9H17NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.23700
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310801
Papaverine
13 spectra
C20H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
339.39099
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301401
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301405
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301409
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301413
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301417
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301421
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301425
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301429
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301432
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301436
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301440
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301444
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310594
Paratunamide D (not validated)
1 spectrum
C26H32N2O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
548.54498
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311108
ParaXanthine
2 spectra
C7H8N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06473
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100414
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100870
Pelargonidin
1 spectrum
[C15H11O5]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.06064
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020072
Pelargonidin-3,5-di-beta-D-glucoside
26 spectra
[C27H31O15]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
595.53003
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302211
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302216
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302221
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302226
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302231
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302236
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302241
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302246
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302251
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302256
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302261
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302266
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305845
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305852
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305859
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305865
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305871
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305878
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305885
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305891
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305896
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305903
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305910
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR305916
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308837
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310528
Pelargonidin-3-O-glucoside
26 spectra
[C21H21O10]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
433.38901
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302621
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302627
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302633
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302639
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302645
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302651
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302657
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302663
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302669
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302675
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302681
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302687
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306280
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306287
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306294
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306307
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306314
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306320
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306327
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306334
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306341
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306348
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306355
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308831
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311179
Pelargonin
6 spectra
[C27H31O15]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
595.16632
LC-ESI-QTOF; MS2; CE:30 V; [M-H+OH]-
MSBNK-RIKEN-PR040046
LC-ESI-QTOF; MS2; CE:30 V; [M]+
MSBNK-RIKEN-PR040047
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
MSBNK-RIKEN-PR100645
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H+OH]-
MSBNK-RIKEN-PR040045
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR040048
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100232
Peltatoside
10 spectra
C26H28O16
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
596.13776
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020076
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040169
LC-ESI-QTOF; MS2; CE:30 V; [M+Na]+
MSBNK-RIKEN-PR040170
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040168
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR100675
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040171
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100252
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+Na]+
MSBNK-RIKEN-PR040172
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040167
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100674
Pentachlorophenol
2 spectra
C6HCl5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.84698
GC-EI-TOF; MS; 1 TMS; BP:93
MSBNK-RIKEN-PR010113
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100511
Pentasaccharides (Hex-Hex-Hex-Hex-Hex)
1 spectrum
C30H52O26
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
828.71997
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308964
Pentose-Hexose + C10H17
2 spectra
C21H36O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.50900
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308950
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308951
Pentose-Hexose + C5H9
1 spectrum
C16H28O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
380.39001
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308942
Peonidin
1 spectrum
[C16H13O6]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.07120
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
MSBNK-RIKEN-PR100907
Peonidin-3,5-O-di-beta-glucopyranoside
2 spectra
[C28H33O16]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
625.17688
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
MSBNK-RIKEN-PR100918
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100459
Peonidin-3,5-O-di-beta-glucoside
26 spectra
[C28H33O16]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
625.55603
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303260
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303263
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303266
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303269
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303272
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303275
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303278
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303281
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303284
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303287
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303290
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303293
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306983
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306987
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306991
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306995
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306998
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307002
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307006
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307010
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307014
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307018
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307022
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307026
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308841
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310531
Peonidin-3-O-alpha-arabinopyranoside
2 spectra
[C21H21O10]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
433.11346
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
MSBNK-RIKEN-PR100911
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100453
Peonidin-3-O-alpha-arabinoside
12 spectra
C21H20O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
432.38101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302991
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR302996
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303001
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303006
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303010
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303015
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303020
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303025
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303029
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303034
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303039
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303044
Peonidin-3-O-beta-D-glucoside
3 spectra
[C22H23O11]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
463.12405
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020073
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-2H]-
MSBNK-RIKEN-PR100792
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M]+
MSBNK-RIKEN-PR100348
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