MassBank Record: KO000444



 2-Coumaric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000444
RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014l-7900000000-a641b2c2528f829e8ac1 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 58.800 29703.0 11 65.200 500000.5 188 89.100 94059.5 35 91.100 504951.0 190 93.000 2356438.0 886 104.200 14851.5 6 105.800 29703.0 11 117.200 1623764.0 610 119.000 2658418.5 999 //