Dataset

Zoxamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00355804 contains the MS2 mass spectrum of Zoxamide with the InChIkey SOUGWDPPRBKJEX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)
SMILES CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl
InChI Key SOUGWDPPRBKJEX-UHFFFAOYSA-N
Molecular Formula C14H16Cl3NO2
Exact Mass 335.025 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-Eawag-EQ00355804
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MetadataPublished 2024-06-14
Related Molecule
  • 3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.761.435E Nikkaji
    F1XZW465PC FDA SRS
    245799 Brenda
    DTXSID9032581 EPA CompTox Dashboard
    CHEMBL1893025 ChEMBL
    C18903 KEGG Ligand
    122087 PubChem
    160171-18-6 ACToR
    82853 ChEBI
    SCHEMBL70113 SureChEMBL
    16013522 PubChem: Thomson Pharma
    156052-68-5 ACToR
    CB6253228 ChemicalBook
    31216870 eMolecules
    The data in this table is sourced from UniChem at EBI.