MassBank Record: PB003661



 Resveratrol; LC-ESI-QQ; MS2; CE:20 eV; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB003661
RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2; CE:20 eV; [M-H]-
DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2901
COMMENT: CONFIDENCE: confident structure

CH$NAME: Resveratrol CH$NAME: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol CH$COMPOUND_CLASS: Natural Product; Stilbenes CH$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: TSQ QUANTUM AM AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004r-0950000000-8e44b9aa58ac75282058 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 107.000 10.432 0 115.000 30.960 2 116.000 13.744 0 117.000 90.646 8 119.000 137.222 12 141.000 421.615 41 143.000 3769.117 375 145.000 212.337 20 155.000 25.051 1 156.000 30.796 2 157.000 773.443 76 159.000 1188.090 117 161.000 29.405 1 165.000 49.163 3 167.000 67.332 5 168.000 69.192 5 170.000 30.954 2 180.000 13.117 0 181.000 370.101 36 182.000 575.946 56 183.000 1750.303 174 184.000 88.108 7 185.000 7694.020 768 197.000 10.650 0 199.000 49.440 3 209.000 99.997 8 211.000 17.423 0 212.000 197.561 18 225.000 291.848 28 226.000 32.210 2 227.000 10000.000 999 //