MassBank Record: PB006281



 (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006281
RECORD_TITLE: (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.10.15, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 4621
COMMENT: CONFIDENCE: confident structure

CH$NAME: (-)-Epicatechin CH$NAME: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H14O6 CH$EXACT_MASS: 290.07904 CH$SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O CH$IUPAC: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-UKRRQHHQSA-N CH$LINK: PUBCHEM CID:72276
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000l-0950000000-2f53f8d4942f8756529f PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 119.048 30.030 2 123.042 2732.733 272 124.047 170.170 16 127.037 40.040 3 135.046 10.010 0 137.058 30.030 2 138.895 10.010 0 138.931 10.010 0 138.965 10.010 0 139.037 10000.000 999 139.157 10.010 0 139.234 10.010 0 140.041 520.520 51 141.045 10.010 0 143.051 10.010 0 147.042 1241.241 123 148.045 60.060 5 151.037 330.330 32 151.094 10.010 0 152.042 30.030 2 153.053 70.070 6 161.059 110.110 10 163.038 170.170 16 164.036 10.010 0 165.052 2882.883 287 166.056 200.200 19 167.032 10.010 0 169.047 370.370 36 170.056 10.010 0 179.065 90.090 8 181.047 190.190 18 182.048 20.020 1 189.051 70.070 6 203.064 30.030 2 205.082 90.090 8 206.089 10.010 0 207.062 1131.131 112 208.067 100.100 9 213.050 40.040 3 227.063 20.020 1 231.061 170.170 16 232.066 10.010 0 233.041 10.010 0 244.067 10.010 0 245.076 20.020 1 249.072 830.831 82 250.075 90.090 8 255.062 80.080 7 273.072 1051.051 104 274.075 110.110 10 289.065 10.010 0 290.070 50.050 4 291.082 6976.977 696 291.247 10.010 0 291.548 10.010 0 292.086 790.791 78 292.172 10.010 0 292.217 10.010 0 293.095 20.020 1 //