MassBank Record: KO000559



 2,3-Diphosphoglycerate; 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: KO000559
RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D017

CH$NAME: 2,3-Diphosphoglycerate CH$NAME: D-Greenwald ester CH$NAME: 2,3-Bisphospho-D-glycerate CH$NAME: 2,3-Disphospho-D-glycerate CH$NAME: DPG CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H8O10P2 CH$EXACT_MASS: 265.95927 CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 CH$LINK: CHEBI 17720 CH$LINK: KEGG C01159 CH$LINK: PUBCHEM SID:4387
AC$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$FOCUSED_ION: PRECURSOR_M/Z 265 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0090000000-4a9ded352d5912810741 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 59.200 4445549.0 37 99.300 29703.0 1 115.000 34653.5 1 136.100 64356.5 1 140.700 14851.5 1 143.600 24752.5 1 149.000 19802.0 1 154.900 69307.0 1 165.600 19802.0 1 167.100 13069320.0 107 171.100 44554.5 1 177.200 252475.5 2 183.300 29703.0 1 189.400 14851.5 1 205.400 58094117.5 477 219.400 54455.5 1 220.900 69307.0 1 247.300 475248.0 4 265.000 121584280.0 999 //