Dataset

Thiabendazole

This MassBank record with Accession MSBNK-Waters-WA000088 contains the MS2 mass spectrum of Thiabendazole with the InChIkey WJCNZQLZVWNLKY-UHFFFAOYSA-N.

Chemical Info

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-WA000088
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:57.902618
MetadataModified 2024-01-11T22:49:58.051780
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15195537 PubChem: Thomson Pharma
PD001733 ProbesDrugs
N1Q45E87DT FDA SRS
LSM-3741 LINCS
Thiabendazole Selleck
123242-33-1 ACToR
PA164746466 PharmGKB
SCHEMBL19842 SureChEMBL
8423 Brenda
HMDB0014868 Human Metabolome Database
CB1685813 ChemicalBook
C07131 KEGG Ligand
2621 DrugCentral
TIABENDAZOLE clinicaltrials
MK-360 clinicaltrials
MINTEZOL clinicaltrials
510269 eMolecules
THIABENDAZOLE clinicaltrials
5430 PubChem
45979 ChEBI
MCULE-3720823189 Mcule
DB00730 DrugBank
CHEMBL625 ChEMBL
TMG PDBe
SAM002564239 NIH Clinical Collection
THIABENDAZOLE rxnorm
THBDAZ CCDC
ZINC000000073711 ZINC
HY-B0263 MedChemExpress
7304 Guide to Pharmacology
DTXSID0021337 EPA CompTox Dashboard
J2.961K Nikkaji
50121347 BindingDB
The data in this table is sourced from UniChem at EBI.