MassBank Record: KO000405



 trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000405
RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:50 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 C016

CH$NAME: trans-Cinnamate CH$NAME: trans-Cinnamic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H8O2 CH$EXACT_MASS: 148.05243 CH$SMILES: OC(=O)C=Cc(c1)cccc1 CH$IUPAC: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ CH$LINK: CAS 140-10-3 CH$LINK: CHEBI 15669 CH$LINK: KEGG C00423 CH$LINK: NIKKAJI J2.024I CH$LINK: PUBCHEM SID:3713
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 147 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9100000000-d3712417826a69667981 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 40.700 19802.0 48 57.400 29703.0 71 76.900 415842.0 999 100.800 99010.0 238 //