MassBank Record: KO000409



 4-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: KO000409
RECORD_TITLE: 4-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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-3900000000-5dc8af06da0120779cff PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 35.200 247525.0 29 37.200 193069.5 23 64.800 138614.0 16 89.500 34653.5 4 91.100 564357.0 67 93.000 2930696.0 347 101.400 39604.0 5 103.800 128713.0 15 105.900 29703.0 4 117.100 806931.5 96 119.100 8435652.0 999 134.100 14851.5 2 //