Dataset

Benoxacor; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00350505 contains the MS2 mass spectrum of Benoxacor with the InChIkey PFJJMJDEVDLPNE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
SMILES CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
InChI Key PFJJMJDEVDLPNE-UHFFFAOYSA-N
Molecular Formula C11H11Cl2NO2
Exact Mass 259.017 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00350505
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MetadataPublished 2024-06-14
Related Molecule
  • 2,2-dichloro-1-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2269059 ChEMBL
    MCULE-4065052726 Mcule
    24559 Brenda
    62306 PubChem
    SCHEMBL122820 SureChEMBL
    16277764 PubChem: Thomson Pharma
    98730-04-2 ACToR
    510660 eMolecules
    C10964 KEGG Ligand
    CB9187252 ChemicalBook
    J438.573J Nikkaji
    UAI2652GEV FDA SRS
    3016 ChEBI
    DTXSID3029572 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.