MassBank Record: KO000833



 Glycolic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000833
RECORD_TITLE: Glycolic acid; LC-ESI-QQ; MS2; CE:20 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$LINK: KEGG C00160 CH$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 75 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-c968a24f0640b154325b PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 31.300 202970.5 45 45.200 227723.0 50 47.100 282178.5 62 72.900 217822.0 48 73.400 59406.0 13 75.100 4534658.0 999 //