MassBank Record: KO001215



 Isoferulic 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: KO001215
RECORD_TITLE: Isoferulic 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 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 193 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-2900000000-7a28000b74f8c4f5b27f PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 59.300 49505.0 106 63.100 39604.0 85 78.700 59406.0 128 94.800 34653.5 74 104.500 29703.0 64 107.600 34653.5 74 114.800 19802.0 43 132.300 69307.0 149 133.000 465347.0 999 //