Dataset

Thiabendazole

This MassBank record with Accession MSBNK-Waters-WA000086 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	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

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000086
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:37.612521
MetadataModified	2024-01-11T22:50:37.787108
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.