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MassBank Record: KO003688

3-Phosphoglycerate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003688
RECORD_TITLE: 3-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 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 30 V

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

PK$SPLASH: splash10-0a5c-9600000000-4bd264fcf029200c55c6
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  78.600 14851.5 214
  80.800 49505.0 714
  81.900 49505.0 714
  91.900 29703.0 428
  93.200 49505.0 714
  105.200 69307.0 999
  106.400 14851.5 214
  108.900 24752.5 357
  114.700 19802.0 285
//

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