Dataset

5,7-Dimethoxy-4-methylcoumarin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80452 contains the MS mass spectrum of 5,7-Dimethoxy-4-methylcoumarin with the InChIkey WFSKVHPOKPQJSU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3
SMILES CC1=CC(=O)OC2=CC(=CC(=C12)OC)OC
InChI Key WFSKVHPOKPQJSU-UHFFFAOYSA-N
Molecular Formula C12H12O4
Exact Mass 220.074 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-BML80452
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dimethoxy-4-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:121071 chebi
    CHEMBL1324939 chembl
    67224 surechembl
    390799 pubchem
    PD011768 probes_and_drugs
    Molport-000-688-805 molport
    93218 bindingdb
    The data in this table is sourced from UniChem at EBI.