MassBank Record: KO000817



 Glucuronic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000817
RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 193 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ab9-9000000000-a211e343fcddc77c9fd6 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 41.100 133663.5 41 43.100 262376.5 81 45.000 351485.5 108 46.100 19802.0 6 51.000 108911.0 34 55.100 376238.0 116 57.300 519802.5 160 59.100 3242577.5 999 66.700 64356.5 20 70.900 1717823.5 529 73.200 2178220.0 671 75.000 193069.5 59 78.800 138614.0 43 83.500 89109.0 27 84.100 94059.5 29 85.400 1004951.5 310 86.900 84158.5 26 88.800 24752.5 8 92.200 54455.5 17 95.200 153465.5 47 101.100 59406.0 18 112.800 133663.5 41 //