MassBank Record: PB003662



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

ACCESSION: PB003662
RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2; CE:25 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 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000f-0900000000-2b750fcfd933ce8809f2 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 41.000 41.874 3 81.000 10.687 0 93.000 43.225 3 107.000 21.669 1 115.000 202.918 19 117.000 525.463 51 119.000 225.573 21 129.000 19.208 0 139.000 20.396 1 140.000 27.811 1 141.000 355.444 34 142.000 13.147 0 143.000 10000.000 999 144.000 11.331 0 145.000 254.566 24 151.000 10.335 0 152.000 11.189 0 153.000 22.823 1 155.000 107.112 9 156.000 120.846 11 157.000 1060.259 105 159.000 1327.472 131 161.000 70.325 6 163.000 18.521 0 165.000 27.126 1 167.000 145.094 13 168.000 82.628 7 170.000 109.554 9 180.000 220.436 21 181.000 1252.877 124 182.000 1606.068 159 183.000 1240.432 123 184.000 253.576 24 185.000 6321.836 631 195.000 17.647 0 196.000 26.639 1 197.000 21.583 1 198.000 22.134 1 199.000 49.083 3 208.000 39.391 2 209.000 45.379 3 212.000 63.555 5 224.000 13.624 0 225.000 246.302 23 226.000 34.944 2 227.000 1969.671 195 //