MassBank Record: KO001107



 trans-4-Hydroxy-3-methoxycinnamate; 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: KO001107
RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H074

CH$NAME: trans-4-Hydroxy-3-methoxycinnamate CH$NAME: Ferulate CH$NAME: 3-Methoxy-4-hydroxy-trans-cinnamate CH$NAME: 4-Hydroxy-3-methoxycinnamic acid CH$NAME: Ferulic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: COc(c1)c(O)ccc(C=CC(O)=O)1 CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ CH$LINK: CAS 1135-24-6 CH$LINK: CHEBI 17620 CH$LINK: KEGG C01494 CH$LINK: NIKKAJI J7.273G CH$LINK: PUBCHEM SID:4664
AC$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$FOCUSED_ION: PRECURSOR_M/Z 193 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-0b9174ecaba08b2f01b9 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 59.100 965347.5 48 72.700 9901.0 1 86.800 54455.5 3 89.200 59406.0 3 95.300 297030.0 15 97.200 930694.0 47 106.100 39604.0 2 106.800 44554.5 2 111.300 59406.0 3 117.100 1183169.5 59 117.500 202970.5 10 118.100 29703.0 1 133.900 19975267.5 999 135.100 24752.5 1 146.000 272277.5 14 149.300 2415844.0 121 178.400 4569311.5 229 193.100 2688121.5 134 //