MassBank Record: PB006301



 (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006301
RECORD_TITLE: (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:15 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 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0910000000-f4f5b80f5b0732e8faf4 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 119.048 80.080 7 121.028 10.010 0 123.043 2712.713 270 124.046 200.200 19 127.039 50.050 4 135.043 50.050 4 137.020 20.020 1 137.059 40.040 3 138.954 10.010 0 139.037 10000.000 999 139.203 10.010 0 140.042 530.530 52 141.044 10.010 0 143.049 90.090 8 147.043 2062.062 205 148.046 170.170 16 151.037 260.260 25 152.046 20.020 1 153.052 90.090 8 159.042 20.020 1 161.058 630.631 62 162.061 50.050 4 163.037 200.200 19 164.040 20.020 1 165.052 1281.281 127 166.055 90.090 8 167.029 20.020 1 169.047 260.260 25 177.054 90.090 8 178.062 10.010 0 179.068 570.571 56 180.072 30.030 2 181.047 200.200 19 185.057 10.010 0 187.068 10.010 0 189.052 270.270 26 190.053 20.020 1 203.066 50.050 4 205.083 100.100 9 206.088 10.010 0 207.062 2552.552 254 208.066 240.240 23 213.052 60.060 5 227.066 30.030 2 231.064 180.180 17 245.073 30.030 2 249.071 330.330 32 250.077 40.040 3 255.062 80.080 7 273.073 300.300 29 274.072 20.020 1 291.082 350.350 34 292.087 30.030 2 //