MassBank Record: KO000818



 Glucuronic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000818
RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:50 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$LINK: PUBCHEM SID:3491
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 193 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ab9-9000000000-13faa33f762b79a63490 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 41.300 217822.0 156 43.100 257426.0 184 44.700 198020.0 142 55.100 301980.5 216 57.400 282178.5 202 59.000 1396041.0 999 71.000 653466.0 468 73.000 747525.5 535 74.900 99010.0 71 79.000 123762.5 89 84.800 39604.0 28 85.200 79208.0 57 //