Dataset

Methimazole; LC-ESI-Q; MS; POS; 15 V, 30 V

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

Chemical Information

molecular Image
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

Metadata Information

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
MetadataPublished 2016-01-19
Related Molecule
  • 1-methylimidazole-2-thiol
    • 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.