Dataset

6,8-Dimethyl-4-hydroxycoumarin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003291 contains the MS2 mass spectrum of 6,8-Dimethyl-4-hydroxycoumarin with the InChIkey HVHIQQVTLCUBKA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H10O3/c1-6-3-7(2)11-8(4-6)9(12)5-10(13)14-11/h3-5,12H,1-2H3
SMILES C(C=1C(=C(C([H])([H])[H])C=2OC(=O)C(=C(O[H])C2C1[H])[H])[H])([H])([H])[H]
InChI Key HVHIQQVTLCUBKA-UHFFFAOYSA-N
Molecular Formula C11H10O3
Exact Mass 190.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003291
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 4-hydroxy-6,8-dimethylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    54710971 PubChem
    MCULE-7062071512 Mcule
    ZINC000002573999 ZINC
    DTXSID90716148 EPA CompTox Dashboard
    31256598 eMolecules
    SCHEMBL5138113 SureChEMBL
    The data in this table is sourced from UniChem at EBI.