MassBank Record: KO000406



 4-Coumaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000406
RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-b58aab08954c973df04e PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 58.600 19802.0 1 59.300 94059.5 1 91.100 6133669.5 61 116.600 14851.5 1 118.900 7113868.5 71 127.300 19802.0 1 127.800 39604.0 1 134.800 24752.5 1 162.900 100252575.5 999 164.100 74257.5 1 //