Dataset

epsilon-Viniferin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304270 contains the MS2 mass spectrum of epsilon-Viniferin with the InChIkey FQWLMRXWKZGLFI-YVYUXZJTSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
SMILES OC1=CC=C(\C=C\C2=CC(O)=CC3=C2[C@H]([C@@H](O3)C2=CC=C(O)C=C2)C2=CC(O)=CC(O)=C2)C=C1
InChI Key FQWLMRXWKZGLFI-YVYUXZJTSA-N
Molecular Formula C28H22O6
Exact Mass 454.478 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-PR304270
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MetadataPublished 2019-03-28
Related Molecule
  • 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:10556 chebi
    CHEMBL1224875 chembl
    29434008 surechembl
    3041632 surechembl
    5281728 pubchem
    0K8Z2K6Y7O fdasrs
    PD124705 probes_and_drugs
    Molport-023-220-686 molport
    50531887 bindingdb
    The data in this table is sourced from UniChem at EBI.