Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR306296 contains the MS2 mass spectrum of (+)-Epicatechin with the InChIkey PFTAWBLQPZVEMU-ZFWWWQNUSA-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-/m0/s1
SMILES C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI Key PFTAWBLQPZVEMU-ZFWWWQNUSA-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-PR306296
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (2S,3S)-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
    76125 ChEBI
    SCHEMBL862089 SureChEMBL
    32459 Brenda
    32617 Brenda
    1161 Brenda
    HMDB0037954 Human Metabolome Database
    MTBLC76125 Metabolights
    182232 PubChem
    60028497 NMRShiftDB
    14922484 PubChem: Thomson Pharma
    35323-91-2 ACToR
    C09728 KEGG Ligand
    CHEMBL129482 ChEMBL
    LD6B6TT8Q5 FDA SRS
    ZINC000000119978 ZINC
    50135167 BindingDB
    J21.709C Nikkaji
    The data in this table is sourced from UniChem at EBI.