MassBank Record: KO000407



 4-Coumaric 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: KO000407
RECORD_TITLE: 4-Coumaric 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-3ddb41572ba36a950e37 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 34.900 94059.5 2 37.100 103960.5 2 59.100 108911.0 2 91.100 5925748.5 133 93.400 103960.5 2 106.900 34653.5 1 117.400 24752.5 1 118.500 841585.0 19 119.100 44549549.5 999 129.200 39604.0 1 135.000 128713.0 3 163.100 11975259.5 269 //