ACCESSION: MSBNK-Keio_Univ-KO001595
RECORD_TITLE: 2-Phosphoglycerate; 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 P029

CH$NAME: 2-Phosphoglycerate
CH$NAME: D-Glycerate 2-phosphate
CH$NAME: 2-Phospho-D-glycerate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₇O₇P
CH$EXACT_MASS: 185.99294
CH$SMILES: OC[C@H](C(O)=O)OP(O)(O)=O
CH$IUPAC: InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
CH$LINK: CHEBI 17835
CH$LINK: KEGG C00631
CH$LINK: PUBCHEM SID:3904
CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 185
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-0900000000-80caf2498862e856c8fc
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  78.800 3326736.0 34
  86.800 99010.0 1
  89.300 54455.5 1
  96.800 3495053.0 36
  102.300 64356.5 1
  103.200 188119.0 2
  138.700 69307.0 1
  141.000 69307.0 1
  155.100 14851.5 1
  167.000 1386140.0 14
  185.100 97361483.5 999
//