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Name
Formula / Structure
ExactMass
ID
Propenyl thiosulfate (isomer of 107)
1 spectrum
C3H6O3S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.20799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308953
Propenyl thiosulfate (isomer of 108)
1 spectrum
C3H6O3S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.20799
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308954
Propyl thiosulfate
1 spectrum
C3H8O3S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.22400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308956
Prostaglandin E1
1 spectrum
C20H34O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.24063
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR101006
Protocatechuic acid
2 spectra
C7H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
154.02661
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010227
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100601
Protopine
13 spectra
C20H19NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
353.37399
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301814
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301818
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301822
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301826
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301830
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301832
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301836
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301839
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301843
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301847
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301850
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301853
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310606
Prunin
11 spectra
C21H22O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.12131
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020069
LC-ESI-QTOF; MS2; CE:30 V; [M+H-C6H10O5]+
MSBNK-RIKEN-PR040156
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040155
LC-ESI-QTOF; MS2; CE:30 V; [M-H-C6H10O5}-
MSBNK-RIKEN-PR040152
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040151
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H-C6H10O5]+
MSBNK-RIKEN-PR040154
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040153
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100249
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H-C6H10O5}-
MSBNK-RIKEN-PR040150
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040149
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100671
Pseudocopsinine
13 spectra
C21H26N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.45099
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301353
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301357
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301361
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301365
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301369
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301373
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301377
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301381
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301385
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301389
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301393
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301397
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310592
Pseudojervine
25 spectra
C33H49NO8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
587.75403
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300924
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300929
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300934
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300939
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300944
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300949
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300954
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300959
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300964
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300969
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300974
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300979
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304905
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304908
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304910
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304913
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304916
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304919
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304922
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304925
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304928
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304931
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304934
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308721
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310421
Psoralen
1 spectrum
C11H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.03169
GC-EI-TOF; MS; BP:158
MSBNK-RIKEN-PR010228
Pterocarpan base + 1O, 1MeO
2 spectra
C16H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.28400
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309025
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310747
Pteropodine
25 spectra
C21H24N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.43301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300241
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300246
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300251
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300256
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300261
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300266
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300271
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300276
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300281
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300286
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300291
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300296
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304596
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304600
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304604
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304608
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304612
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304616
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304618
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304622
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304626
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304630
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304634
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR304638
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310620
Puberanidine
11 spectra
C30H42N2O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
542.67297
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300491
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300496
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300506
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300511
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300520
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300525
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300530
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300535
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR300544
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310645
Puerarin
7 spectra
C21H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.11072
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020037
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR040165
LC-ESI-QTOF; MS2; CE:30 V; [M-H]-
MSBNK-RIKEN-PR040164
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR040166
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100251
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR040163
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100673
Pumiloside
2 spectra
C26H28N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
512.51501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309370
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311104
Putrescine
2 spectra
C4H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.10005
GC-EI-TOF; MS; 4 TMS; BP:73
MSBNK-RIKEN-PR010101
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100038
Pyridoxal
2 spectra
C8H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.05824
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100275
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100699
Pyridoxal 5-phosphate
4 spectra
C8H10NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.02457
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100274
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100292
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100698
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100723
Pyridoxamine
4 spectra
C8H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.08987
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010024
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100057
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100056
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100512
Pyridoxine
3 spectra
C8H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.07388
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010229
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100196
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100602
Pyridoxine + O-Hex
1 spectrum
C14H21NO8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
331.32101
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310797
Pyroglutamic acid (Not validated)
1 spectrum
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.11501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309410
Pyroglutamic acid (not validated, isomer of 88)
1 spectrum
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.11501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311148
Pyroglutamic acid (not validated, isomer of 89)
1 spectrum
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.11501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311147
Pyroglutamyl-Isoleucine
1 spectrum
C11H18N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.27499
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309064
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