Dataset

6-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyrone; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80550 contains the MS mass spectrum of 6-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyrone with the InChIkey IRUHWRSITUYICV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3
SMILES CC1=CC(=O)OC2=C1C=C(C=C2)O
InChI Key IRUHWRSITUYICV-UHFFFAOYSA-N
Molecular Formula C10H8O3
Exact Mass 176.047 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-BML80550
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MetadataPublished 2016-01-19
Related Molecule
  • 6-hydroxy-4-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB9272288 ChemicalBook
    MCULE-4501305082 Mcule
    PD088322 ProbesDrugs
    14772661 PubChem: Thomson Pharma
    SCHEMBL128001 SureChEMBL
    2373-31-1 ACToR
    519402 eMolecules
    CHEMBL12626 ChEMBL
    DTXSID90178404 EPA CompTox Dashboard
    50078830 BindingDB
    HY-N6658 MedChemExpress
    ZINC000000034930 ZINC
    J213.233H Nikkaji
    75409 PubChem
    The data in this table is sourced from UniChem at EBI.