Dataset

Epicatechin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003424 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 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI Key PFTAWBLQPZVEMU-UKRRQHHQSA-N
Molecular Formula C15H14O6
Exact Mass 290.079 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-BS-BS003424
Version
Author
Maintainer
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MetadataPublished 2017-12-01
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
    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
    Molport-001-740-232 molport
    23417 bindingdb
    The data in this table is sourced from UniChem at EBI.