MassBank Record: KO000487



 Crotonic 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: KO000487
RECORD_TITLE: Crotonic 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 C093

CH$NAME: Crotonate CH$NAME: Crotonic acid CH$NAME: 2-Butenoic acid CH$NAME: 2-Butenoate CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6O2 CH$EXACT_MASS: 86.03678 CH$SMILES: CC=CC(O)=O CH$IUPAC: InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ CH$LINK: CAS 3724-65-0 CH$LINK: CHEBI 17217 CH$LINK: KEGG C01771 CH$LINK: NIKKAJI J109.464E CH$LINK: PUBCHEM SID:4904
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 85 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-b1e1c9a0bcfd328b1cd9 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 41.300 1034654.5 276 42.500 19802.0 5 85.300 3747528.5 999 //