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MassBank Record: KO003687

3-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: KO003687
RECORD_TITLE: 3-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 P028

CH$NAME: 3-Phosphoglycerate
CH$NAME: Glycerate 3-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7O7P
CH$EXACT_MASS: 185.99294
CH$SMILES: OC(COP(O)(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
CH$LINK: CHEBI 17050
CH$LINK: KEGG C00597
CH$LINK: PUBCHEM SID:3874
CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-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$SPLASH: splash10-0udi-0900000000-8a976aaa2f56f074d975
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  40.800 9901.0 8
  81.000 49505.0 38
  82.000 14851.5 11
  93.800 24752.5 19
  98.800 29703.0 23
  104.900 1316833.0 999
  108.900 14851.5 11
  114.900 9901.0 8
  122.800 39604.0 30
  124.200 69307.0 53
  133.800 39604.0 30
  151.400 34653.5 26
  154.900 94059.5 71
  169.700 44554.5 34
  187.000 39604.0 30
//

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