Dataset

Thiabendazole

This MassBank record with Accession MSBNK-Athens_Univ-AU286005 contains the MS2 mass spectrum of Thiabendazole with the InChIkey WJCNZQLZVWNLKY-UHFFFAOYSA-N.

Chemical Info

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	N1C2=CC=CC=C2N=C1C1=CSC=N1
InChI Key	WJCNZQLZVWNLKY-UHFFFAOYSA-N
Molecular Formula	C10H7N3S
Exact Mass	201.036 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU286005
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:48:26.441281
MetadataModified	2025-02-08T19:11:38.838171
MetadataPublished	2019-05-31

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.