Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU106704 contains the MS2 mass spectrum of Triclabendazole with the InChIkey NQPDXQQQCQDHHW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
SMILES CSc1[nH]c2cc(c(cc2n1)Oc3cccc(c3Cl)Cl)Cl
InChI Key NQPDXQQQCQDHHW-UHFFFAOYSA-N
Molecular Formula C14H9Cl3N2OS
Exact Mass 357.950 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-AU106704
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MetadataPublished 2015-09-22
Related Molecule
  • 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12245 drugbank
    CHEBI:94759 chebi
    JA9 rcsb_pdb
    CHEMBL1086440 chembl
    165712 surechembl
    29394758 surechembl
    29409229 surechembl
    3499260 surechembl
    50248 pubchem
    4784C8E03O fdasrs
    PD000272 probes_and_drugs
    CARSOF CCDC
    HMDB0259181 hmdb
    Molport-000-705-689 molport
    Molport-002-230-021 molport
    58491 bindingdb
    The data in this table is sourced from UniChem at EBI.