Dataset

epi-Pinoresinol; LC-APCI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82413 contains the MS mass spectrum of epi-Pinoresinol with the InChIkey HGXBRUKMWQGOIE-WZBLMQSHSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19-,20+/m0/s1
SMILES COC1=C(C=CC(=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O
InChI Key HGXBRUKMWQGOIE-WZBLMQSHSA-N
Molecular Formula C20H22O6
Exact Mass 358.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82413
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-[(3R,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL10019016 SureChEMBL
    MTBLC132821 Metabolights
    ZINC000012153081 ZINC
    6YKG9JJC1S FDA SRS
    637584 PubChem
    15027192 PubChem: Thomson Pharma
    60025574 NMRShiftDB
    CHEMBL487611 ChEMBL
    J322.964E Nikkaji
    132821 ChEBI
    CB61468340 ChemicalBook
    HY-N7534 MedChemExpress
    50379794 BindingDB
    The data in this table is sourced from UniChem at EBI.