MassBank Record: PR100688



 (+)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100688
RECORD_TITLE: (+)-Epicatechin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: (+)-Epicatechin CH$NAME: EpCt-pl CH$NAME: ent-Epicatechin CH$NAME: Epicatechol CH$NAME: (+)-3,3',4',5,7-Pentahydroxyflavan CH$COMPOUND_CLASS: Flavonoid CH$FORMULA: C15H14O6 CH$EXACT_MASS: 290.07904 CH$SMILES: Oc(c3)c(O)cc(c3)[C@H](O1)[C@@H](O)Cc(c(O)2)c(cc(O)c2)1 CH$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-/m0/s1 CH$LINK: CAS 35323-91-2 CH$LINK: CHEMSPIDER 158494 CH$LINK: KAPPAVIEW KPC00503 CH$LINK: KEGG C09728 CH$LINK: KNAPSACK C00000957 CH$LINK: PUBCHEM CID:182232 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-ZFWWWQNUSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 289.07123 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052r-0980000000-b5cee6aae1e7952a7d9f PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 97.0302 192.8 126 109.0299 712.7 466 121.0301 168.6 110 123.0456 646.2 422 125.0251 422.7 276 137.0249 273.7 179 151.0406 261.5 171 161.0616 169 110 179.0357 170.8 112 187.0406 138.8 91 203.0720 381.5 249 205.0519 310 203 245.0830 553.9 362 289.0712 1528 999 //

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