MassBank Record: KO000408



 4-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: KO000408
RECORD_TITLE: 4-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 C024

CH$NAME: p-Coumarate CH$NAME: 4-Hydroxycinnamic acid CH$NAME: trans-4-Hydroxycinnamate CH$NAME: p-Coumaric acid CH$NAME: 4-Hydroxycinnamate CH$NAME: 4-Coumarate CH$NAME: 4-Coumaric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H8O3 CH$EXACT_MASS: 164.04734 CH$SMILES: OC(=O)C=Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ CH$LINK: CAS 7400-08-0 501-98-4 CH$LINK: CHEBI 32374 CH$LINK: KEGG C00811 CH$LINK: PUBCHEM SID:4069
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-ccac7f071084bc660095 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 34.900 232673.5 8 37.200 178218.0 6 59.300 34653.5 1 90.900 980199.0 35 92.800 1287130.0 46 100.700 39604.0 1 103.800 34653.5 1 104.400 54455.5 2 107.400 74257.5 3 117.100 232673.5 8 118.500 381188.5 14 119.000 27811909.0 999 121.400 34653.5 1 135.100 54455.5 2 144.900 34653.5 1 163.200 529703.5 19 //