MassBank Record: KO000814



 Glucuronic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM SID:3491
AC$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 //