Dataset

Fenhexamid; LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00305708 contains the MS2 mass spectrum of Fenhexamid with the InChIkey VDLGAVXLJYLFDH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)
SMILES CC1(CCCCC1)C(=O)NC1=C(Cl)C(Cl)=C(O)C=C1
InChI Key VDLGAVXLJYLFDH-UHFFFAOYSA-N
Molecular Formula C14H17Cl2NO2
Exact Mass 301.064 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-EQ00305708
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MetadataPublished 2024-06-14
Related Molecule
  • N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    XIMQEQ CCDC
    HMDB0252201 Human Metabolome Database
    J1.063.660D Nikkaji
    DTXSID3032549 EPA CompTox Dashboard
    CB5118735 ChemicalBook
    C18593 KEGG Ligand
    CHEMBL1688541 ChEMBL
    ZINC000002384330 ZINC
    74345 Brenda
    SCHEMBL23092 SureChEMBL
    511142 eMolecules
    17400132 PubChem: Thomson Pharma
    Q68C3C9P1U FDA SRS
    126833-17-8 ACToR
    81853 ChEBI
    PD164045 ProbesDrugs
    213031 PubChem
    The data in this table is sourced from UniChem at EBI.