Dataset

(-)-Epicatechin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302728 contains the MS2 mass spectrum of (-)-Epicatechin with the InChIkey PFTAWBLQPZVEMU-UKRRQHHQSA-N.

Chemical Information

molecular Image
InChI 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
SMILES O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1
InChI Key PFTAWBLQPZVEMU-UKRRQHHQSA-N
Molecular Formula C15H14O6
Exact Mass 290.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302728
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12039 drugbank
    CHEBI:90 chebi
    LMPK12020003 lipidmaps
    28E rcsb_pdb
    CHEMBL583912 chembl
    19412 surechembl
    29354531 surechembl
    30631563 surechembl
    72276 pubchem
    34PHS7TU43 fdasrs
    28E pdbe
    PD002152 probes_and_drugs
    COWHUR CCDC
    1846 brenda
    224987 brenda
    233966 brenda
    23425 brenda
    262779 brenda
    265136 brenda
    30120 brenda
    42738 brenda
    93808 brenda
    HMDB0001871 hmdb
    DTXSID4045133 comptox
    NCT01856868 clinicaltrials
    NCT01880866 clinicaltrials
    NCT03236662 clinicaltrials
    Molport-001-740-232 molport
    23417 bindingdb
    The data in this table is sourced from UniChem at EBI.