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LC-ESI-QQ
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Name
Formula / Structure
ExactMass
ID
6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-F...
5 spectra
C6H13O8P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.13800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS123201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS123202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS123207
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS123208
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS123209
6-Deoxygalactose, Fuc, D-Galactomethylose, 6-Deoxy...
1 spectrum
C6H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.15700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS097401
6-Furfurylaminopurine
10 spectra
C10H9N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.08070
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002889
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000764
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002890
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000765
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002891
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000766
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002892
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000767
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002893
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000768
6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, ...
3 spectra
C5H5N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.12900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS024001
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS024002
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS024007
6-Hydroxyhexanoic acid
5 spectra
C6H12O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
132.07864
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001081
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001082
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001083
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001084
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001085
6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridineca...
4 spectra
C6H5NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.11000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063903
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063907
6-Hydroxynicotinic acid
10 spectra
C6H5NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
139.02695
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003078
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000988
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003079
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000989
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003080
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000990
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003081
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000991
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003082
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000992
6-Man4GlcNAc-II
6 spectra
C32H55NO26
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
869.30121
LC-ESI-QQ; MS2; CE:25V; Amide
MSBNK-Fukuyama_Univ-FU000019
LC-ESI-QQ; MS2; CE:25V; ODS
MSBNK-Fukuyama_Univ-FU000022
LC-ESI-QQ; MS2; CE:30V; Amide
MSBNK-Fukuyama_Univ-FU000020
LC-ESI-QQ; MS2; CE:30V; ODS
MSBNK-Fukuyama_Univ-FU000023
LC-ESI-QQ; MS2; CE:35V; Amide
MSBNK-Fukuyama_Univ-FU000021
LC-ESI-QQ; MS2; CE:35V; ODS
MSBNK-Fukuyama_Univ-FU000024
6-Mercaptopurine
10 spectra
C5H4N4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.01567
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003437
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001412
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003438
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001413
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003439
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001414
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003440
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001415
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003441
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001416
6-Methylaminopurine
5 spectra
C6H7N5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.07014
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001442
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001443
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001444
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001445
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001446
6-Methylmercaptopurine
10 spectra
C6H6N4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.03133
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003507
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001467
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003508
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001468
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003509
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001469
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003510
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001470
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003511
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001471
6-O-beta-D-Glucopyranosyl-D-glucose, beta-D-glucop...
1 spectrum
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS119207
6-Oxopurine, Sarcine, HX, Sarkine, Hypoxanthine en...
3 spectra
C5H4N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.11400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS025201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS025202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS025203
6-PG-Ba, 1pgp, 6-Phosphogluconic acid Barium salt ...
1 spectrum
C6H13O10P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.13599
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS003807
6-Phospho-D-gluconic acid
5 spectra
C6H13O10P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.02463
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001600
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001601
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001602
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001603
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001604
62FTA
13 spectra
C8H3F13O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.99255
LC-ESI-QQ; MS
MSBNK-PFOS_research_group-FFF00393
LC-ESI-QQ; MS2; CE10; [M-H-CO2-2HF]-
MSBNK-PFOS_research_group-FFF00400
LC-ESI-QQ; MS2; CE10; [M-H]-
MSBNK-PFOS_research_group-FFF00394
LC-ESI-QQ; MS2; CE20; [M-H-CO2-2HF]-
MSBNK-PFOS_research_group-FFF00401
LC-ESI-QQ; MS2; CE20; [M-H]-
MSBNK-PFOS_research_group-FFF00395
LC-ESI-QQ; MS2; CE30; [M-H-CO2-2HF]-
MSBNK-PFOS_research_group-FFF00402
LC-ESI-QQ; MS2; CE30; [M-H]-
MSBNK-PFOS_research_group-FFF00396
LC-ESI-QQ; MS2; CE40; [M-H-CO2-2HF]-
MSBNK-PFOS_research_group-FFF00403
LC-ESI-QQ; MS2; CE40; [M-H]-
MSBNK-PFOS_research_group-FFF00397
LC-ESI-QQ; MS2; CE50; [M-H-CO2-2HF]-
MSBNK-PFOS_research_group-FFF00404
LC-ESI-QQ; MS2; CE50; [M-H]-
MSBNK-PFOS_research_group-FFF00398
LC-ESI-QQ; MS2; CE60; [M-H-CO2-2HF]-
MSBNK-PFOS_research_group-FFF00405
LC-ESI-QQ; MS2; CE60; [M-H]-
MSBNK-PFOS_research_group-FFF00399
7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-gl...
12 spectra
C27H30O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
594.52197
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042404
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042405
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042406
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042408
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042409
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042410
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042411
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS042412
7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze,...
4 spectra
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.24100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039704
7-Methylguanine
10 spectra
C6H7N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.06506
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003412
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001394
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003413
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001395
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003414
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001396
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003415
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001397
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003416
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001398
73FTA
7 spectra
C10H5F15O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
442.00500
LC-ESI-QQ; MS
MSBNK-PFOS_research_group-FFF00386
LC-ESI-QQ; MS2; CE10; [M-H]-
MSBNK-PFOS_research_group-FFF00387
LC-ESI-QQ; MS2; CE20; [M-H]-
MSBNK-PFOS_research_group-FFF00388
LC-ESI-QQ; MS2; CE30; [M-H]-
MSBNK-PFOS_research_group-FFF00389
LC-ESI-QQ; MS2; CE40; [M-H]-
MSBNK-PFOS_research_group-FFF00390
LC-ESI-QQ; MS2; CE50; [M-H]-
MSBNK-PFOS_research_group-FFF00391
LC-ESI-QQ; MS2; CE60; [M-H]-
MSBNK-PFOS_research_group-FFF00392
8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-...
6 spectra
C18H27NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
305.41800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044102
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044103
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044104
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044105
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044106
8-Anilino-1-naphthalene sulfonic acid
5 spectra
C16H13NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.06161
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000273
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000274
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000275
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000276
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000277
8-Hydroxyoctanoic acid
5 spectra
C8H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.10994
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001037
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001038
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001039
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001040
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001041
8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-...
1 spectrum
C15H24
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.35699
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS067001
8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-met...
6 spectra
C18H29NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.43399
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044205
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS044206
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