MassBank Record: KO001600



 6-Phospho-D-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: KO001600
RECORD_TITLE: 6-Phospho-D-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 P031

CH$NAME: 6-Phosphogluconate CH$NAME: 6-Phospho-D-gluconate CH$NAME: 6-Phospho-D-gluconic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13O10P CH$EXACT_MASS: 276.02463 CH$SMILES: OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 CH$LINK: CHEBI 16863 CH$LINK: KEGG C00345 CH$LINK: PUBCHEM SID:3638
AC$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$FOCUSED_ION: PRECURSOR_M/Z 275 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0090000000-50702b7e8f4b7289d218 PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 59.200 8658424.5 49 61.300 39604.0 1 77.200 2143566.5 12 77.800 34653.5 1 80.900 49505.0 1 92.700 89109.0 1 95.300 6925749.5 39 96.900 935644.5 5 107.000 19802.0 1 110.900 277228.0 2 113.000 5301985.5 30 117.100 113861.5 1 118.800 99010.0 1 119.500 39604.0 1 121.200 138614.0 1 122.900 19802.0 1 130.900 2420794.5 14 135.100 94059.5 1 137.200 7287136.0 41 140.800 277228.0 2 142.300 24752.5 1 148.800 410891.5 2 149.300 297030.0 2 151.300 64356.5 1 153.100 183168.5 1 155.000 113861.5 1 165.100 232673.5 1 167.200 113861.5 1 168.800 59406.0 1 172.900 207921.0 1 174.000 103960.5 1 177.100 198020.0 1 178.800 44554.5 1 180.700 49505.0 1 182.900 34653.5 1 193.200 1163367.5 7 195.400 34653.5 1 197.300 59406.0 1 198.900 133663.5 1 203.000 198020.0 1 207.000 54455.5 1 210.900 14851.5 1 212.800 54455.5 1 213.300 163366.5 1 215.100 1217823.0 7 216.900 163366.5 1 221.000 14851.5 1 225.300 138614.0 1 229.000 4782183.0 27 231.200 237624.0 1 239.100 133663.5 1 241.800 24752.5 1 242.600 59406.0 1 257.000 1232674.5 7 275.300 176401166.5 999 //