Dataset

7-Diethylamino-4-methylcoumarin; LC-ESI-QTOF; MS2; CE: Ramp 19.2-28.7 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU248306 contains the MS2 mass spectrum of 7-Diethylamino-4-methylcoumarin with the InChIkey AFYCEAFSNDLKSX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
SMILES CCN(CC)C1=CC=C2C(C)=CC(=O)OC2=C1
InChI Key AFYCEAFSNDLKSX-UHFFFAOYSA-N
Molecular Formula C14H17NO2
Exact Mass 231.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU248306
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MetadataPublished 2019-04-08
Related Molecule
  • 7-(diethylamino)-4-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:51938 chebi
    6ZW rcsb_pdb
    CHEMBL315348 chembl
    29362472 surechembl
    67108 surechembl
    7050 pubchem
    1SFJ7F6R2C fdasrs
    DAMCOU CCDC
    259472 brenda
    6ZW - Ideal conformer pdbe
    Molport-002-135-228 molport
    50078833 bindingdb
    The data in this table is sourced from UniChem at EBI.