Dataset

Fenbendazole; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU106204 contains the MS2 mass spectrum of Fenbendazole with the InChIkey HDDSHPAODJUKPD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
SMILES CO/C(=N/c1[nH]c2cc(ccc2n1)Sc3ccccc3)/O
InChI Key HDDSHPAODJUKPD-UHFFFAOYSA-N
Molecular Formula C15H13N3O2S
Exact Mass 299.073 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-Athens_Univ-AU106204
Version
Author
Maintainer
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MetadataPublished 2015-09-22
Related Molecule
  • methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11410 drugbank
    CHEBI:77092 chebi
    CHEMBL37161 chembl
    166352 surechembl
    30384658 surechembl
    31547327 surechembl
    31547342 surechembl
    8469702 surechembl
    3334 pubchem
    621BVT9M36 fdasrs
    PD001910 probes_and_drugs
    217129 brenda
    77382 brenda
    HMDB0029745 hmdb
    Molport-001-796-215 molport
    Molport-003-666-346 molport
    31047 bindingdb
    The data in this table is sourced from UniChem at EBI.