MassBank Record: PB000643



 Resveratrol; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000643
RECORD_TITLE: Resveratrol; LC-ESI-QTOF; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0aou-3900000000-bb14be278509155e8ce6 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 43.017 174.877 16 55.018 553.559 54 65.037 877.378 86 67.053 210.359 20 68.996 1147.992 113 71.011 120.507 11 77.037 2192.037 218 79.052 1425.300 141 81.032 482.382 47 91.053 5775.194 576 92.059 254.863 24 93.033 133.897 12 95.049 681.818 67 105.049 349.190 33 107.049 10000.000 999 108.053 331.818 32 109.028 290.345 28 110.036 119.098 10 111.044 137.315 12 115.054 772.375 76 117.069 138.020 12 119.050 755.814 74 120.058 1542.636 153 121.029 766.032 75 123.043 357.294 34 127.052 218.464 20 128.060 419.662 40 129.069 467.583 45 131.050 315.610 30 135.044 626.498 61 136.052 494.010 48 139.051 208.844 19 141.066 770.613 76 144.052 365.046 35 145.060 548.273 53 152.058 570.472 56 153.066 1538.055 152 154.074 522.199 51 155.080 887.245 87 157.063 227.097 21 164.061 536.998 52 165.069 5334.743 532 166.074 430.937 42 168.056 485.201 47 169.065 139.077 12 181.066 996.124 98 182.074 458.069 44 183.081 314.412 30 193.071 163.953 15 194.074 142.706 13 210.072 203.030 19 211.081 120.860 11 //