MassBank Record: PB006302



 (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB006302
RECORD_TITLE: (-)-Epicatechin; LC-ESI-QTOF; MS2; CE:20 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 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-eeb1eab35fa4cdf4deb3 PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 111.040 20.020 1 115.053 50.050 4 119.048 240.240 23 120.052 10.010 0 121.029 10.010 0 123.043 3523.523 351 124.046 220.220 21 125.055 10.010 0 127.038 50.050 4 131.051 30.030 2 133.025 10.010 0 133.064 70.070 6 135.045 80.080 7 137.025 80.080 7 137.054 100.100 9 138.956 10.010 0 139.038 10000.000 999 139.235 10.010 0 139.282 10.010 0 140.042 570.571 56 141.051 10.010 0 143.048 450.450 44 144.049 40.040 3 145.068 30.030 2 147.043 2812.813 280 148.047 200.200 19 149.059 40.040 3 151.040 210.210 20 151.073 50.050 4 153.053 160.160 15 157.063 10.010 0 159.041 80.080 7 161.058 1851.852 184 162.060 110.110 10 163.039 250.250 24 164.044 10.010 0 165.053 670.671 66 165.110 10.010 0 166.055 50.050 4 169.048 100.100 9 171.048 20.020 1 171.079 10.010 0 172.048 10.010 0 177.053 310.310 30 178.057 20.020 1 179.069 940.941 93 180.072 80.080 7 181.054 70.070 6 185.059 20.020 1 187.072 20.020 1 189.052 560.561 55 190.057 40.040 3 199.077 20.020 1 203.069 80.080 7 205.084 60.060 5 206.087 10.010 0 207.063 1791.792 178 208.065 130.130 12 213.052 60.060 5 227.063 50.050 4 230.053 10.010 0 231.063 30.030 2 244.941 10.010 0 245.083 40.040 3 249.071 30.030 2 255.061 40.040 3 258.050 10.010 0 273.072 60.060 5 //