MassBank Record: MSBNK-Keio_Univ-KO000814
ACCESSION: MSBNK-Keio_Univ-KO000814
RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G004
CH$NAME: Glucuronate
CH$NAME: D-Glucuronate
CH$NAME: Glucuronic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O7
CH$EXACT_MASS: 194.04265
CH$SMILES: OC(=O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(O)1
CH$IUPAC: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1
CH$LINK: CAS
6556-12-3
CH$LINK: CHEBI
4178
CH$LINK: KEGG
C00191
CH$LINK: NIKKAJI
J82.112H
CH$LINK: PUBCHEM
SID:3491
CH$LINK: INCHIKEY
AEMOLEFTQBMNLQ-AQKNRBDQSA-N
CH$LINK: COMPTOX
DTXSID50894097
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 193
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-c54e5b283bf934b300cc
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
59.100 386139.0 7
70.900 193069.5 3
72.800 1336635.0 23
76.900 79208.0 1
85.100 133663.5 2
89.200 2019804.0 35
101.100 896040.5 15
103.200 2861389.0 49
113.100 2965349.5 51
119.400 311881.5 5
129.000 74257.5 1
130.800 4297034.0 73
132.800 440594.5 8
144.800 14851.5 1
149.100 707921.5 12
153.200 188119.0 3
157.000 747525.5 13
162.800 514852.0 9
175.200 1460397.5 25
193.300 58450553.5 999
//