ACCESSION: MSBNK-Keio_Univ-KO000832
RECORD_TITLE: Glycolic acid; LC-ESI-QQ; MS2; CE:10 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$LINK: PUBCHEM SID:3460
CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0025363

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 10 V

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

PK$SPLASH: splash10-00di-9000000000-88af2b259f82cd1d8938
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  31.300 103960.5 2
  44.900 163366.5 3
  46.700 178218.0 3
  73.000 336634.0 6
  74.900 59792139.0 999
//