Dataset

Glabranine; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81302 contains the MS mass spectrum of Glabranine with the InChIkey DAWSYIQAGQMLFS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3
SMILES CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)O)C
InChI Key DAWSYIQAGQMLFS-UHFFFAOYSA-N
Molecular Formula C20H20O4
Exact Mass 324.136 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-BML81302
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3144815 PubChem
    70050435 NMRShiftDB
    56468500 PubChem: Thomson Pharma
    SCHEMBL320135 SureChEMBL
    1410948 eMolecules
    MCULE-9858151978 Mcule
    CHEMBL488888 ChEMBL
    The data in this table is sourced from UniChem at EBI.