MassBank Record: KO000867



 Gluconic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000867
RECORD_TITLE: Gluconic acid; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 195 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a6r-9000000000-6e40f1cebd8b460016b3 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 43.200 143564.5 82 44.700 158416.0 90 46.700 108911.0 62 55.200 198020.0 113 57.100 772278.0 439 59.200 1351486.5 768 71.100 212871.5 121 72.900 173267.5 98 75.200 1757427.5 999 83.800 64356.5 37 85.400 49505.0 28 87.000 29703.0 17 //