MassBank Record: PB006261



 Resveratrol; 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: PB006261
RECORD_TITLE: Resveratrol; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.17, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2101
COMMENT: CONFIDENCE: confident structure

CH$NAME: Resveratrol CH$NAME: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C14H12O3 CH$EXACT_MASS: 228.07864 CH$SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O CH$IUPAC: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ CH$LINK: INCHIKEY LUKBXSAWLPMMSZ-OWOJBTEDSA-N CH$LINK: PUBCHEM CID:445154
AC$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$SPLASH: splash10-004i-0290000000-9742e3e8991c1c0c270d PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 107.047 10.020 0 119.048 130.261 12 120.057 20.040 1 121.027 30.060 2 123.044 20.040 1 135.043 1853.707 184 136.049 150.301 14 141.069 40.080 3 145.065 90.180 8 153.072 20.040 1 155.084 30.060 2 157.065 30.060 2 159.079 80.160 7 160.052 10.020 0 161.094 20.040 1 163.940 20.040 1 165.067 150.301 14 166.071 20.040 1 169.064 20.040 1 171.042 30.060 2 173.093 10.020 0 181.060 10.020 0 181.953 10.020 0 182.071 10.020 0 183.079 400.802 39 184.081 30.060 2 185.062 10.020 0 187.072 80.160 7 193.063 140.281 13 194.071 20.040 1 199.073 10.020 0 201.090 100.200 9 210.066 40.080 3 211.073 771.543 76 212.079 80.160 7 213.055 20.040 1 214.060 30.060 2 227.068 70.140 6 228.075 270.541 26 228.890 10.020 0 228.919 10.020 0 229.083 10000.000 999 229.344 10.020 0 229.417 10.020 0 229.988 10.020 0 230.087 1122.245 111 231.088 60.120 5 //