Dataset

Febantel; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092498 contains the MS2 mass spectrum of Febantel with the InChIkey HMCCXLBXIJMERM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)
SMILES COCC(=O)Nc1cc(Sc2ccccc2)ccc1NC(NC(=O)OC)=NC(=O)OC
InChI Key HMCCXLBXIJMERM-UHFFFAOYSA-N
Molecular Formula C20H22N4O6S
Exact Mass 446.126 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092498
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Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • methyl N-[[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylanilino]-(methoxycarbonylamino)methylidene]carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11409 drugbank
    CHEBI:189104 chebi
    CHEMBL1080983 chembl
    164634 surechembl
    27965763 surechembl
    4872383 surechembl
    7802874 surechembl
    135449328 pubchem
    S75C401OS1 fdasrs
    PD013570 probes_and_drugs
    LANJOB CCDC
    HMDB0252182 hmdb
    DTXSID6046898 comptox
    Molport-003-847-358 molport
    Molport-019-998-962 molport
    5539 drugcentral
    50103610 bindingdb
    The data in this table is sourced from UniChem at EBI.