MassBank Record: PB005821



 3,4,5-Trimethoxycinnamic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005821
RECORD_TITLE: 3,4,5-Trimethoxycinnamic acid; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.20, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2381
COMMENT: CONFIDENCE: confident structure

CH$NAME: 3,4,5-Trimethoxycinnamic acid CH$NAME: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C12H14O5 CH$EXACT_MASS: 238.08412 CH$SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)O CH$IUPAC: InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+ CH$LINK: INCHIKEY YTFVRYKNXDADBI-SNAWJCMRSA-N CH$LINK: PUBCHEM CID:735755
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0190000000-a53a43c16d61d22ba5fd PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 147.042 20.020 1 148.050 10.010 0 149.057 10.010 0 161.057 10.010 0 162.065 60.060 5 163.070 50.050 4 164.077 10.010 0 165.087 10.010 0 167.068 20.020 1 169.083 60.060 5 175.037 10.010 0 176.044 10.010 0 177.052 30.030 2 178.060 60.060 5 179.067 40.040 3 180.075 20.020 1 189.052 50.050 4 190.060 530.530 52 191.035 220.220 21 192.038 30.030 2 193.083 420.420 41 194.087 30.030 2 195.099 50.050 4 197.078 130.130 12 198.082 10.010 0 205.047 20.020 1 206.054 580.581 57 207.060 100.100 9 208.070 310.310 30 209.075 50.050 4 220.907 10.010 0 221.078 10000.000 999 222.081 920.921 91 223.080 40.040 3 224.064 60.060 5 239.088 1161.161 115 240.091 110.110 10 //