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LC-ESI-QQ
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Name
Formula / Structure
ExactMass
ID
5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid ...
4 spectra
C6H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.18900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097104
5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleace...
6 spectra
C10H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
191.18600
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096803
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096804
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096807
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS096809
5-Hydroxyindoleacetic acid
10 spectra
C10H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
191.05824
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003123
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001066
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003124
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001067
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003125
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001068
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003126
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001069
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003127
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001070
5-Hydroxylysine
10 spectra
C6H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.10043
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003133
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001086
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003134
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001087
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003135
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001088
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003136
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001089
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003137
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001090
5-Methoxy-3-indoleacetic acid
10 spectra
C11H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.07388
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003477
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001452
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003478
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001453
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003479
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001454
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003480
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001455
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003481
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001456
5-Methoxy-N,N-dimethyltryptamine
5 spectra
C13H18N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.14191
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003502
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003503
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003504
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003505
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003506
5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-...
4 spectra
C8H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.14799
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104209
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104210
5-Methoxytryptamine
10 spectra
C11H14N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.11061
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003402
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001379
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003403
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001380
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003404
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001381
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003405
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001382
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003406
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001383
5-Methylcytosine
5 spectra
C5H7N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.05891
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003362
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003363
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003364
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003365
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003366
5-Methyltetrahydrofolic acid disodium salt, Prefol...
1 spectrum
C20H25N7O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
459.46301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS003602
5-Methylthioadenosine
5 spectra
C11H15N5O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.08957
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002721
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002722
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002723
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002724
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002725
5-O-Feruloylquinic acid
1 spectrum
C17H20O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.33801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000309
5-Phosphorylribose 1-pyrophosphate
5 spectra
C5H13O14P3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
389.95181
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001581
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001582
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001583
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001584
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001585
53FTA
7 spectra
C8H5F11O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.01138
LC-ESI-QQ; MS
MSBNK-PFOS_research_group-FFF00379
LC-ESI-QQ; MS2; CE10; [M-H]-
MSBNK-PFOS_research_group-FFF00380
LC-ESI-QQ; MS2; CE20; [M-H]-
MSBNK-PFOS_research_group-FFF00381
LC-ESI-QQ; MS2; CE30; [M-H]-
MSBNK-PFOS_research_group-FFF00382
LC-ESI-QQ; MS2; CE40; [M-H]-
MSBNK-PFOS_research_group-FFF00383
LC-ESI-QQ; MS2; CE50; [M-H]-
MSBNK-PFOS_research_group-FFF00384
LC-ESI-QQ; MS2; CE60; [M-H]-
MSBNK-PFOS_research_group-FFF00385
55m2PFOA
2 spectra
C8HF15O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.97369
LC-ESI-QQ; MS2; CE10eV
MSBNK-PFOS_research_group-FFF00370
LC-ESI-QQ; MS2; CE30eV
MSBNK-PFOS_research_group-FFF00371
5mPFOA
5 spectra
C8HF15O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.97369
LC-ESI-QQ; MS2; CE10eV
MSBNK-PFOS_research_group-FFF00352
LC-ESI-QQ; MS2; CE20eV
MSBNK-PFOS_research_group-FFF00353
LC-ESI-QQ; MS2; CE30eV
MSBNK-PFOS_research_group-FFF00354
LC-ESI-QQ; MS2; CE40eV
MSBNK-PFOS_research_group-FFF00355
LC-ESI-QQ; MS2; CE50eV
MSBNK-PFOS_research_group-FFF00356
5mPFOS
6 spectra
C8HF17O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.93750
LC-ESI-QQ; MS2; 50eV
MSBNK-PFOS_research_group-FFF00309
LC-ESI-QQ; MS2; 60eV
MSBNK-PFOS_research_group-FFF00310
LC-ESI-QQ; MS2; CE10eV
MSBNK-PFOS_research_group-FFF00305
LC-ESI-QQ; MS2; CE20eV
MSBNK-PFOS_research_group-FFF00306
LC-ESI-QQ; MS2; CE30eV
MSBNK-PFOS_research_group-FFF00307
LC-ESI-QQ; MS2; CE40eV
MSBNK-PFOS_research_group-FFF00308
6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esc...
12 spectra
C15H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.28400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125105
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125106
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125107
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125108
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125109
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125110
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125111
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125112
6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorc...
6 spectra
C18H22O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
318.36899
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113107
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113108
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113109
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS113110
6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (...
6 spectra
C10H13N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.24800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070003
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070004
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070005
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS070007
6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(al...
1 spectrum
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS124502
6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(al...
7 spectra
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS029701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS029702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS029705
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS029707
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS029708
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS029710
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS029711
6-Aminohexanoic acid
10 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002158
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000103
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002159
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000104
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002160
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000105
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002161
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000106
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002162
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000107
6-Aminouracil, 4-Amino-2-hydroxypyrimidine, Cytosi...
3 spectra
C4H5N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.10400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019302
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS019303
6-Benzylaminopurine
10 spectra
C12H11N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
225.10146
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002458
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000336
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002459
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000337
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002460
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000338
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002461
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000339
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002462
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000340
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