ACCESSION: MSBNK-Keio_Univ-KO002642
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: 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$LINK: PUBCHEM SID:4387
CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 267
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0uxr-1490000000-ddf502cfcfd4ff0bca0b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  69.000 158416.0 250
  69.700 34653.5 55
  101.500 24752.5 39
  120.200 14851.5 23
  123.100 69307.0 109
  124.000 64356.5 101
  127.400 89109.0 140
  135.300 34653.5 55
  138.900 29703.0 47
  152.200 64356.5 101
  174.800 39604.0 62
  185.100 158416.0 250
  187.300 34653.5 55
  197.200 34653.5 55
  199.300 118812.0 187
  203.000 74257.5 117
  204.700 19802.0 31
  206.900 74257.5 117
  210.800 24752.5 39
  216.700 29703.0 47
  221.100 49505.0 78
  228.200 14851.5 23
  235.200 49505.0 78
  249.000 69307.0 109
  250.400 633664.0 999
  267.200 425743.0 671
//