MassBank Record: KO000077



 Acrylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000077
RECORD_TITLE: Acrylic 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 A041

CH$NAME: Acrylate CH$NAME: Propenoate CH$NAME: 2-Propenoic acid CH$NAME: Acrylic acid CH$NAME: Vinylformic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H4O2 CH$EXACT_MASS: 72.02113 CH$SMILES: C=CC(O)=O CH$IUPAC: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) CH$LINK: CAS 79-10-7 CH$LINK: CHEBI 18308 CH$LINK: KEGG C00511 CH$LINK: NIKKAJI J1.493A CH$LINK: PUBCHEM SID:3794
AC$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$FOCUSED_ION: PRECURSOR_M/Z 71 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-cc4e478e1301778cd785 PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 70.900 985149.5 999 //