Dataset

6,7-Dimethoxy-4-methylcoumarin; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01187 contains the MS2 mass spectrum of 6,7-Dimethoxy-4-methylcoumarin with the InChIkey GBYDSYPGGDKWGZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12O4/c1-7-4-12(13)16-9-6-11(15-3)10(14-2)5-8(7)9/h4-6H,1-3H3
SMILES CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC
InChI Key GBYDSYPGGDKWGZ-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-BML01187
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MetadataPublished 2016-01-19
Related Molecule
  • 6,7-dimethoxy-4-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-4576976946 Mcule
    77966 PubChem
    SCHEMBL606446 SureChEMBL
    ZINC000000140178 ZINC
    DTXSID90195494 EPA CompTox Dashboard
    CB7303522 ChemicalBook
    J102.747F Nikkaji
    143731 ChEBI
    M95TSC752B FDA SRS
    16436256 PubChem: Thomson Pharma
    CHEMBL1991600 ChEMBL
    4281-40-7 ACToR
    70074137 NMRShiftDB
    497176 eMolecules
    The data in this table is sourced from UniChem at EBI.