MassBank Record: KO000443



 2-Coumaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000443
RECORD_TITLE: 2-Coumaric 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 C039

CH$NAME: o-Coumarate CH$NAME: trans-2-Hydroxycinnamate CH$NAME: trans-2-Hydroxycinnamic acid CH$NAME: 2-Coumaric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H8O3 CH$EXACT_MASS: 164.04734 CH$SMILES: OC(=O)C=Cc(c1)c(O)ccc1 CH$IUPAC: InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ CH$LINK: CAS 614-60-8 CH$LINK: CHEBI 18125 CH$LINK: KEGG C01772 CH$LINK: NIKKAJI J55.415D CH$LINK: PUBCHEM SID:4905
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 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-44e81c2c735a93efc7d7 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 65.100 94059.5 5 91.200 950496.0 48 92.800 1391090.5 71 116.900 2500002.5 127 119.000 19618831.5 999 119.800 24752.5 1 134.700 44554.5 2 162.800 59406.0 3 //