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LC-ESI-QQ
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Name
Formula / Structure
ExactMass
ID
Pyrazole
5 spectra
C3H4N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
68.03745
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003863
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003864
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003865
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003866
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003867
Pyrazolynate
4 spectra
C19H16Cl2N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
438.02078
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000115
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000116
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000117
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000118
Pyridine
5 spectra
C5H5N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
79.04220
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003723
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003724
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003725
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003726
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003727
Pyridoxal
10 spectra
C8H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.05824
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003681
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001576
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003682
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001577
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003683
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001578
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003684
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001579
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003685
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001580
Pyridoxal 5-phosphate
5 spectra
C8H10NO6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
247.02457
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001615
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001616
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001617
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001618
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001619
Pyridoxal hydrochrolide, Vitamin B6, Pyridoxaldehy...
3 spectra
C8H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.16400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS049203
Pyridoxamine
5 spectra
C8H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.08987
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001725
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001726
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001727
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001728
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001729
Pyridoxamine 5'-phosphate
10 spectra
C8H13N2O5P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.05621
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003883
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001720
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003884
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001721
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003885
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001722
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003886
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001723
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003887
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001724
Pyridoxine
10 spectra
C8H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.07388
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003753
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001636
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003754
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001637
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003755
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001638
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003756
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001639
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003757
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001640
Pyriftalid
2 spectra
C15H14N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
318.06744
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000119
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000120
Pyrrole 2-carboxylic acid
5 spectra
C5H5NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.03203
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001715
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001716
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001717
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001718
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001719
Pyruvic acid
5 spectra
C3H4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.01604
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001590
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001591
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001592
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001593
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001594
Pyruvic acid sodium salt, Acetylformic acid, 2-Oxo...
3 spectra
C3H4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
88.06200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS098201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS098202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS098203
Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alph...
10 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.38000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116803
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116804
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116805
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116807
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116808
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116809
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116810
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS116811
Quer-3-Rha, thujin, Quercitrin, Quercetrin, Querce...
11 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.38000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043504
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043505
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043506
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043507
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043508
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043509
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043510
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043511
Quer-3-Rha, thujin, Quercitrin, Quercetrin, Querce...
10 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.38000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093504
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093505
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093507
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093508
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093509
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093510
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093511
Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicos...
7 spectra
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.38000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS117001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS117002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS117003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS117004
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS117006
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS117007
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS117008
Quercetin
7 spectra
C15H10O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.23801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000419
LC-ESI-QQ; MS2; CE:20 eV; [M-H]-
MSBNK-IPB_Halle-PB004101
LC-ESI-QQ; MS2; CE:25 eV; [M+H]+
MSBNK-IPB_Halle-PB004083
LC-ESI-QQ; MS2; CE:25 eV; [M-H]-
MSBNK-IPB_Halle-PB004102
LC-ESI-QQ; MS2; CE:30 eV; [M+H]+
MSBNK-IPB_Halle-PB004084
LC-ESI-QQ; MS2; CE:30 eV; [M-H]-
MSBNK-IPB_Halle-PB004103
LC-ESI-QQ; MS2; CE:35 eV; [M+H]+
MSBNK-IPB_Halle-PB004085
Quercetin 3-beta-D-galactopyranoside, Hyperosid, H...
12 spectra
C21H20O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
464.37900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043205
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043206
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043209
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043210
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043211
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS043212
Quercetin 3-beta-D-galactopyranoside, Hyperosid, H...
12 spectra
C21H20O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
464.37900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046504
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046505
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046506
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046507
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046508
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046509
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046510
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046511
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS046512
Quercetin 3-glucuronide
1 spectrum
C21H18O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
478.36200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000325
Quercetin-3,4'-O-di-beta-glucopyranoside, Querceti...
12 spectra
C27H30O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
626.52002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121903
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121904
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121905
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121906
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121907
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121908
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121909
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121910
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121911
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS121912
Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin
12 spectra
C20H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
434.35300
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093205
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093206
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093209
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093210
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093211
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093212
Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone...
11 spectra
C21H18O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
478.36200
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093302
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093303
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093304
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093305
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093306
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093307
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093308
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093309
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093310
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS093311
Quercitrin
1 spectrum
C21H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
448.38000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000415
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