MassBank Record: KO000401



 trans-Cinnamic 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: KO000401
RECORD_TITLE: trans-Cinnamic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 147 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-88ad8c9c837a057bb2a5 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 59.000 99010.0 1 84.800 84158.5 1 86.900 752476.0 2 100.900 79208.0 1 103.200 31450526.5 94 119.100 44554.5 1 129.100 188119.0 1 145.500 34653.5 1 146.500 14574272.0 43 147.000 335495385.0 999 165.200 89109.0 1 //