Dataset

4-methyl-7-ethylaminocoumarin; LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+Na]+

This MassBank record with Accession MSBNK-UFZ-UA006535 contains the MS2 mass spectrum of 4-methyl-7-ethylaminocoumarin with the InChIkey OTNIKUTWXUODJZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H13NO2/c1-3-13-9-4-5-10-8(2)6-12(14)15-11(10)7-9/h4-7,13H,3H2,1-2H3
SMILES CCNc1ccc2c(cc(=O)oc2c1)C
InChI Key OTNIKUTWXUODJZ-UHFFFAOYSA-N
Molecular Formula C12H13NO2
Exact Mass 203.095 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-UFZ-UA006535
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MetadataPublished 2017-08-13
Related Molecule
  • 7-(ethylamino)-4-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    56360683 PubChem: Thomson Pharma
    28821-18-3 ACToR
    91-44-1 ACToR
    J286.462B Nikkaji
    ZINC000005139774 ZINC
    DTXSID1067417 EPA CompTox Dashboard
    CB4940920 ChemicalBook
    TOBRIN CCDC
    120061 PubChem
    SCHEMBL1034943 SureChEMBL
    The data in this table is sourced from UniChem at EBI.