MassBank Record: KO000560



 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: KO000560
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: 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 265 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-066r-1960000000-fcab8021959f67dc5a44 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 45.000 34653.5 1 58.300 39604.0 1 59.100 10272287.5 166 78.900 2460398.5 40 97.000 336634.0 5 98.600 14851.5 1 115.000 64356.5 1 122.800 1123763.5 18 136.700 158416.0 3 137.200 198020.0 3 143.000 64356.5 1 149.100 1287130.0 21 158.700 683169.0 11 167.100 61980260.0 999 171.300 59406.0 1 177.100 7222779.5 116 183.100 34653.5 1 185.100 717822.5 12 200.900 24752.5 1 203.200 74257.5 1 205.400 44851530.0 723 219.600 44554.5 1 221.000 34653.5 1 228.900 29703.0 1 247.200 460396.5 7 247.400 188119.0 3 265.200 5613867.0 90 //