MassBank Record: KO000816



 Glucuronic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000816
RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 193 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-05g0-9100000000-6a5fd6e1bca5ea047bdd PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 42.900 143564.5 28 45.100 212871.5 41 55.200 212871.5 41 57.100 613862.0 119 59.300 5158421.0 999 67.200 84158.5 16 69.000 94059.5 18 71.000 3113864.5 603 73.100 4816836.5 933 75.000 133663.5 26 78.600 69307.0 13 83.000 321782.5 62 84.200 237624.0 46 85.100 3920796.0 759 86.900 79208.0 15 88.800 524753.0 102 91.700 9901.0 2 95.200 777228.5 151 99.200 94059.5 18 101.200 549505.5 106 103.000 326733.0 63 113.100 1688120.5 327 114.900 103960.5 20 125.000 34653.5 7 131.100 24752.5 5 132.900 44554.5 9 133.300 9901.0 2 144.400 9901.0 2 149.400 14851.5 3 //