MassBank Record: PB000661



 Resveratrol; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000661
RECORD_TITLE: Resveratrol; LC-ESI-QTOF; MS2; CE:55 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$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-016r-8900000000-7a10869ce89fa2c7828f PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 39.021 184.509 17 41.037 203.873 19 43.017 387.967 37 51.023 512.448 50 53.039 615.284 60 55.018 1273.859 126 63.021 335.615 32 65.037 6071.922 606 66.042 221.784 21 67.053 557.192 54 68.996 2533.195 252 71.012 104.426 9 77.036 10000.000 999 78.042 409.405 39 79.052 2209.544 219 80.057 106.846 9 81.032 1078.147 106 89.037 543.707 53 90.045 135.408 12 91.053 7309.820 729 92.058 338.520 32 93.033 177.040 16 94.042 390.041 38 95.049 1986.860 197 103.056 340.456 33 105.045 774.551 76 107.049 5132.088 512 108.052 187.275 17 115.053 3033.887 302 116.061 381.535 37 117.069 99.585 8 118.041 207.261 19 119.049 968.880 95 120.057 673.098 66 121.030 431.743 42 123.043 118.949 10 126.044 167.566 15 127.053 724.066 71 128.060 1798.755 178 129.068 576.764 56 131.049 642.462 63 139.051 2214.385 220 140.058 487.414 47 141.067 520.194 51 144.053 410.788 40 145.060 543.568 53 151.049 354.772 34 152.058 3172.891 316 153.065 2383.126 237 154.072 404.703 39 155.059 605.671 59 157.062 283.748 27 163.053 1189.488 117 164.061 2512.448 250 165.069 4943.983 493 166.072 352.490 34 168.057 440.318 43 169.062 194.882 18 181.065 2015.906 200 182.071 245.297 23 //