MassBank Record: KO000561



 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: KO000561
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: 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 265 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ar0-5960000000-1d5a4352115c6c5eb82f PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 44.800 34653.5 1 59.100 9113870.5 293 79.100 15732689.0 506 92.100 29703.0 1 94.700 19802.0 1 96.900 2024754.5 65 101.300 34653.5 1 115.400 44554.5 1 123.100 4326737.0 139 136.900 3940598.0 127 139.100 143564.5 5 148.900 2767329.5 89 154.800 9901.0 1 159.200 2420794.5 78 165.200 44554.5 1 167.100 21594081.0 695 171.000 54455.5 2 177.100 4405945.0 142 178.900 64356.5 2 179.500 14851.5 1 185.200 950496.0 31 190.000 29703.0 1 205.400 31039635.0 999 218.800 39604.0 1 228.900 14851.5 1 247.700 24752.5 1 265.500 178218.0 6 //