MassBank Record: KO001108



 trans-4-Hydroxy-3-methoxycinnamate; 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: KO001108
RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 193 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-1900000000-eff77e27aef254928643 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 59.100 574258.0 63 89.000 712872.0 79 92.100 24752.5 3 95.300 217822.0 24 97.000 737624.5 81 105.900 331683.5 37 108.200 14851.5 2 117.200 638614.5 70 118.100 39604.0 4 133.000 693070.0 77 133.800 9049514.0 999 145.700 24752.5 3 178.000 272277.5 30 //