MassBank Record: PB000642



 Resveratrol; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000642
RECORD_TITLE: Resveratrol; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.03.20, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 321
COMMENT: CONFIDENCE: confident structure

CH$NAME: Resveratrol CH$NAME: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol CH$COMPOUND_CLASS: Natural Product; Stilbene CH$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$LINK: KEGG C03582 CH$LINK: PUBCHEM CID:445154
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052r-1900000000-d06e6e1c144b2d48b364 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 55.020 138.384 12 68.998 237.466 22 71.013 94.002 8 79.054 143.532 13 85.029 82.319 7 91.055 3200.537 319 95.051 304.163 29 107.050 8182.632 817 108.053 213.026 20 109.029 270.143 26 111.045 624.441 61 119.050 3692.927 368 120.058 1011.862 100 121.029 584.602 57 123.044 440.466 43 131.063 228.962 21 135.044 10000.000 999 136.050 1289.615 127 141.066 473.814 46 145.060 842.659 83 147.040 120.524 11 151.035 149.284 13 153.066 331.916 32 155.082 542.972 53 157.063 177.216 16 159.078 309.087 29 161.089 137.489 12 165.068 1816.473 180 169.064 141.159 13 171.044 135.788 12 173.073 279.543 26 183.079 1741.943 173 187.074 256.714 24 193.066 712.847 70 201.090 230.304 22 211.078 875.559 86 212.084 92.502 8 229.087 1865.936 185 230.091 104.454 9 //