MassBank Record: KO002643



 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002643
RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 267 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00xr-6910000000-1d9a19b2b74a2b624651 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 57.200 39604.0 186 69.100 212871.5 999 71.000 54455.5 256 71.800 59406.0 279 85.000 29703.0 139 86.200 44554.5 209 105.000 49505.0 232 116.900 9901.0 46 120.100 29703.0 139 123.200 84158.5 395 123.900 79208.0 372 129.000 34653.5 163 134.800 44554.5 209 136.600 14851.5 70 137.800 19802.0 93 149.100 19802.0 93 185.100 118812.0 558 199.200 69307.0 325 207.100 54455.5 256 250.400 54455.5 256 //