Dataset

Thiabendazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000087 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=CC=C2C(=C1)NC(=N2)C3=CSC=N3
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000087
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    5430 PubChem
    15195537 PubChem: Thomson Pharma
    PD001733 ProbesDrugs
    N1Q45E87DT FDA SRS
    LSM-3741 LINCS
    Thiabendazole Selleck
    123242-33-1 ACToR
    PA164746466 PharmGKB
    SCHEMBL19842 SureChEMBL
    TIABENDAZOLE clinicaltrials
    MK-360 clinicaltrials
    MINTEZOL clinicaltrials
    510269 eMolecules
    THIABENDAZOLE clinicaltrials
    8423 Brenda
    CB1685813 ChemicalBook
    HMDB0014868 Human Metabolome Database
    45979 ChEBI
    MCULE-3720823189 Mcule
    DB00730 DrugBank
    CHEMBL625 ChEMBL
    TMG PDBe
    SAM002564239 NIH Clinical Collection
    C07131 KEGG Ligand
    2621 DrugCentral
    THIABENDAZOLE rxnorm
    HY-B0263 MedChemExpress
    DTXSID0021337 EPA CompTox Dashboard
    50121347 BindingDB
    7304 Guide to Pharmacology
    J2.961K Nikkaji
    THBDAZ CCDC
    ZINC000000073711 ZINC
    The data in this table is sourced from UniChem at EBI.