Dataset

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

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80450 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-BML80450
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
    PD011768 ProbesDrugs
    LSM-32514 LINCS
    390799 PubChem
    16533775 PubChem: Thomson Pharma
    SCHEMBL67224 SureChEMBL
    641197 eMolecules
    MCULE-5725483513 Mcule
    CHEMBL1324939 ChEMBL
    J345.883K Nikkaji
    93218 BindingDB
    ZINC000000058042 ZINC
    121071 ChEBI
    The data in this table is sourced from UniChem at EBI.