MassBank Record: KO000863



 Gluconic 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: KO000863
RECORD_TITLE: Gluconic 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 G031

CH$NAME: Gluconate CH$NAME: D-gluco-Hexonic acid CH$NAME: D-Gluconic acid CH$NAME: D-Gluconate CH$NAME: Gluconic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O7 CH$EXACT_MASS: 196.05830 CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O CH$IUPAC: InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1 CH$LINK: CAS 526-95-4 CH$LINK: CHEBI 4157 CH$LINK: KEGG C00257 CH$LINK: NIKKAJI J3.286G CH$LINK: PUBCHEM SID:3556
AC$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$FOCUSED_ION: PRECURSOR_M/Z 195 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-b2632ca9154cc5e44438 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 59.300 39604.0 1 74.400 44554.5 1 99.100 84158.5 1 111.300 54455.5 1 113.500 113861.5 1 128.900 1336635.0 17 132.900 64356.5 1 135.000 158416.0 2 141.300 39604.0 1 151.100 470297.5 6 159.000 188119.0 2 177.000 559406.5 7 193.500 14851.5 1 195.200 77772355.0 999 //