Dataset

Matairesinol; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR303995 contains the MS2 mass spectrum of Matairesinol with the InChIkey MATGKVZWFZHCLI-LSDHHAIUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
SMILES COC1=C(O)C=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C=C2)=C1
InChI Key MATGKVZWFZHCLI-LSDHHAIUSA-N
Molecular Formula C20H22O6
Exact Mass 358.390 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-PR303995
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04200 drugbank
    MAX rcsb_pdb
    CHEMBL425148 chembl
    120499 surechembl
    30123504 surechembl
    119205 pubchem
    XLW63P8WUA fdasrs
    CHEBI:6698 rhea
    MAX pdbe
    PD006886 probes_and_drugs
    192149 brenda
    86939 brenda
    HMDB0035698 hmdb
    DTXSID40920490 comptox
    Molport-001-742-464 molport
    50240921 bindingdb
    The data in this table is sourced from UniChem at EBI.