MassBank Record: KO000834

Home Search Record Index Data Privacy Imprint

Glycolic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000834
RECORD_TITLE: Glycolic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G012

CH$NAME: Glycolate
CH$NAME: Hydroxyacetic acid
CH$NAME: Glycolic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H4O3
CH$EXACT_MASS: 76.01604
CH$SMILES: OCC(O)=O
CH$IUPAC: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
CH$LINK: CAS 79-14-1
CH$LINK: CHEBI 29805
CH$LINK: COMPTOX DTXSID0025363
CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N
CH$LINK: KEGG C00160
CH$LINK: NIKKAJI J1.494J
CH$LINK: PUBCHEM SID:3460

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 75
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0059-9000000000-1dfacf30bf94ce3bf8bb
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  31.2 94059.5 703.0
  72.7 24752.5 185.0
  75.0 133664.0 999.0
//