Dataset

Thiabendazole; ESI-QTOF; MS2; CE: 40; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000046 contains the MS2 mass spectrum of Thiabendazole with the InChIkey WJCNZQLZVWNLKY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
SMILES C1=NC(=CS1)C1NC2C=CC=CC=2N=1
InChI Key WJCNZQLZVWNLKY-UHFFFAOYSA-N
Molecular Formula C10H7N3S
Exact Mass 201.036 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000046
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MetadataPublished 2023-02-17
Related Molecule
  • 4-(1H-benzimidazol-2-yl)-1,3-thiazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00730 drugbank
    TMG rcsb_pdb
    CHEMBL625 chembl
    19842 surechembl
    29370729 surechembl
    5430 pubchem
    N1Q45E87DT fdasrs
    7304 gtopdb
    PD001733 probes_and_drugs
    THBDAZ CCDC
    8423 brenda
    HMDB0014868 hmdb
    50120869 bindingdb
    50334581 bindingdb
    50407107 bindingdb
    50753663 bindingdb
    50819715 bindingdb
    50914837 bindingdb
    50914863 bindingdb
    51040682 bindingdb
    51062310 bindingdb
    51062341 bindingdb
    51062348 bindingdb
    Molport-001-002-054 molport
    The data in this table is sourced from UniChem at EBI.