MassBank Record: KO001211



 Isoferulic 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: KO001211
RECORD_TITLE: Isoferulic 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 I024

CH$NAME: Isoferulate CH$NAME: Isoferulic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: COc(c1)c(O)cc(C=CC(O)=O)c1 CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ CH$LINK: CAS 537-73-5 CH$LINK: KEGG C10470 CH$LINK: NIKKAJI J6.365G CH$LINK: PUBCHEM SID:12653
AC$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$FOCUSED_ION: PRECURSOR_M/Z 193 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-d26e8f9f43c25710a04d PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 59.200 445545.0 18 95.400 74257.5 3 96.900 89109.0 4 110.100 128713.0 5 111.000 212871.5 9 134.000 306931.0 12 134.400 74257.5 3 148.800 282178.5 11 178.300 2247527.0 91 193.400 24787153.5 999 //