MassBank Record: KO003690

Home Search Record Index Data Privacy Imprint

2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003690
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: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N
CH$LINK: KEGG C00631
CH$LINK: PUBCHEM SID:3904

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

PK$SPLASH: splash10-0udr-0900000000-09027263f64d0e1059c6
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  50.4 34653.5 8.0
  73.1 128713.0 28.0
  78.6 24752.5 5.0
  80.2 9901.0 2.0
  82.8 14851.5 3.0
  87.4 34653.5 8.0
  90.6 44554.5 10.0
  104.9 4574260.0 999.0
  106.5 29703.0 6.0
  109.3 24752.5 5.0
  111.1 29703.0 6.0
  123.3 108911.0 24.0
  124.0 128713.0 28.0
  126.9 49505.0 11.0
  128.6 19802.0 4.0
  132.1 425743.0 93.0
  134.0 79208.0 17.0
  137.1 485149.0 106.0
  150.8 123762.0 27.0
  151.9 247525.0 54.0
  154.5 59406.0 13.0
  155.0 361386.0 79.0
  169.3 277228.0 61.0
  170.2 1623760.0 355.0
  186.9 2054460.0 449.0
//