Dataset

Methimazole

This MassBank record with Accession MSBNK-Waters-WA001413 contains the MS mass spectrum of Methimazole with the InChIkey PMRYVIKBURPHAH-UHFFFAOYSA-N.

InChI	InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
SMILES	Cn(c1)c(S)nc1
InChI Key	PMRYVIKBURPHAH-UHFFFAOYSA-N
Molecular Formula	C4H6N2S
Exact Mass	114.025 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001413
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:36:09.358040
MetadataModified	2025-02-09T20:25:47.838847
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
1349907	PubChem
15194357	PubChem: Thomson Pharma
PD000229	ProbesDrugs
CB71121723	ChemicalBook
methimazole	Atlas
15297082	PubChem: Thomson Pharma
LSM-5646	LINCS
PA450422	PharmGKB
Methimazole(Tapazole)	Selleck
554Z48XN5E	FDA SRS
496094	eMolecules
1971965	eMolecules
30541	Brenda
32678	Brenda
104592	Brenda
methimazole	DailyMed
HMDB0014901	Human Metabolome Database
CB9220870	ChemicalBook
90546	Brenda
SCHEMBL41647	SureChEMBL
50673	ChEBI
MCULE-9902292741	Mcule
CHEMBL1515	ChEMBL
DB00763	DrugBank
SAM002548951	NIH Clinical Collection
MMZ	PDBe
C07190	KEGG Ligand
TAPAZOLE	rxnorm
METHIMAZOLE	rxnorm
TAPAZOLE	clinicaltrials
THIAMAZOLE	clinicaltrials
METHIMAZOLE	clinicaltrials
HY-B0208	MedChemExpress
1144	Brenda
90547	Brenda
42919	Brenda
DTXSID4020820	EPA CompTox Dashboard
1745	DrugCentral
ZINC000001187543	ZINC
6649	Guide to Pharmacology
J1.400A	Nikkaji
BULCUG	CCDC
50241361	BindingDB
METHIMAZOLE	DailyMed
The data in this table is sourced from UniChem at EBI.