MassBank Record: KO000536



 Cumic 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: KO000536
RECORD_TITLE: Cumic 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 C157

CH$NAME: Cumate CH$NAME: p-Cumate CH$NAME: Cumic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: CC(C)c(c1)ccc(c1)C(O)=O CH$IUPAC: InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) CH$LINK: CAS 536-66-3 CH$LINK: KEGG C06578 CH$LINK: NIKKAJI J6.354A CH$LINK: PUBCHEM SID:8807
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-f75e646d4bf6e224878b PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 59.200 54455.5 6 107.000 29703.0 3 119.000 8564365.0 999 135.100 74257.5 9 163.100 3896043.5 454 //