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MassBank Record: KO003691

2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003691
RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0udi-1900000000-8eeb1d2a8432d1e44448
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  38.800 49505.0 36
  79.000 49505.0 36
  82.500 24752.5 18
  93.100 49505.0 36
  93.900 39604.0 28
  96.200 14851.5 11
  99.200 49505.0 36
  104.900 1391090.5 999
  108.500 34653.5 25
  109.400 49505.0 36
  110.100 74257.5 53
  115.200 54455.5 39
  119.400 19802.0 14
  123.100 44554.5 32
  124.200 89109.0 64
  133.900 59406.0 43
  150.900 39604.0 28
  152.300 371287.5 267
  170.300 178218.0 128
  187.100 49505.0 36
//

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