MassBank Record: KO000403



 trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000403
RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 147 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0fb9-9600000000-04d36ba7639bc85e2023 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 40.800 24752.5 5 42.900 44554.5 8 57.400 148515.0 27 58.800 99010.0 18 77.000 5440599.5 999 84.900 297030.0 55 87.300 534654.0 98 88.600 19802.0 4 101.400 138614.0 25 103.000 4950500.0 909 119.300 19802.0 4 146.800 29703.0 5 //