MassBank Record: KO002644



 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002644
RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:30 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: 2,3-Disphospho-D-glycerate CH$NAME: D-Greenwald ester CH$NAME: 2,3-Bisphospho-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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 267 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00xr-9200000000-ab1b55ce1ad971f1b3f8 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 62.900 24752.5 156 68.800 158416.0 999 70.100 34653.5 219 70.900 54455.5 343 73.100 29703.0 187 73.700 34653.5 219 79.600 29703.0 187 83.400 14851.5 94 98.100 34653.5 219 99.700 24752.5 156 120.200 34653.5 219 123.200 39604.0 250 129.200 29703.0 187 138.100 14851.5 94 189.900 9901.0 62 //