MassBank Record: KO000815



 Glucuronic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000815
RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 193 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ir9-8900000000-37e823938dd7cd19fa65 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 44.700 14851.5 2 57.400 79208.0 8 59.100 3143567.5 335 69.000 84158.5 9 70.900 1618813.5 173 72.400 148515.0 16 73.000 6599016.5 703 74.900 94059.5 10 83.000 178218.0 19 83.500 64356.5 7 85.100 4292083.5 458 86.800 39604.0 4 87.400 9901.0 1 89.100 3118815.0 332 95.200 1059407.0 113 99.000 257426.0 27 100.900 3648518.5 389 103.200 3589112.5 383 111.200 9901.0 1 113.000 9371296.5 999 115.000 188119.0 20 118.700 89109.0 9 125.300 69307.0 7 128.900 54455.5 6 130.900 1861388.0 198 132.900 945545.5 101 135.400 34653.5 4 149.000 84158.5 9 152.900 188119.0 20 156.800 534654.0 57 163.300 227723.0 24 175.300 217822.0 23 193.100 1193070.5 127 //