ACCESSION: MSBNK-Keio_Univ-KO003692
RECORD_TITLE: 2-Phosphoglycerate; 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 P029

CH$NAME: 2-Phosphoglycerate
CH$NAME: 2-Phospho-D-glycerate
CH$NAME: D-Glycerate 2-phosphate
CH$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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 187
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0f6t-8900000000-3b714e664b948f61ac7e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  80.800 44554.5 391
  81.400 19802.0 174
  86.400 24752.5 217
  87.200 19802.0 174
  95.800 19802.0 174
  98.800 113861.5 999
  104.900 59406.0 521
  105.800 24752.5 217
  106.300 14851.5 130
  109.300 9901.0 87
  111.900 19802.0 174
  123.200 49505.0 434
  152.000 69307.0 608
//