Dataset

Magnolol; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307414 contains the MS2 mass spectrum of Magnolol with the InChIkey VVOAZFWZEDHOOU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
SMILES OC1=C(C=C(CC=C)C=C1)C1=C(O)C=CC(CC=C)=C1
InChI Key VVOAZFWZEDHOOU-UHFFFAOYSA-N
Molecular Formula C18H18O2
Exact Mass 266.340 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-PR307414
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C10651 KEGG Ligand
    CHEMBL180920 ChEMBL
    HY-N0163 MedChemExpress
    6643 ChEBI
    DTXSID0044076 EPA CompTox Dashboard
    78304 BindingDB
    J277.749E Nikkaji
    CIPXII CCDC
    HMDB0254305 Human Metabolome Database
    ZINC000000001645 ZINC
    CB9265352 ChemicalBook
    193015 Brenda
    16855 Brenda
    MCULE-1351244567 Mcule
    14774834 PubChem: Thomson Pharma
    72300 PubChem
    60060687 NMRShiftDB
    PD010789 ProbesDrugs
    Magnolol(2,2-Bichavicol) Selleck
    001E35HGVF FDA SRS
    528-43-8 ACToR
    SCHEMBL132477 SureChEMBL
    MLO PDBe
    1935912 eMolecules
    The data in this table is sourced from UniChem at EBI.