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
    DB00763 drugbank
    MMZ rcsb_pdb
    CHEMBL1515 chembl
    41647 surechembl
    41648 surechembl
    1349907 pubchem
    554Z48XN5E fdasrs
    6649 gtopdb
    PD000229 probes_and_drugs
    BULCUG CCDC
    104592 brenda
    1144 brenda
    178021 brenda
    30541 brenda
    32678 brenda
    42919 brenda
    90546 brenda
    90547 brenda
    HMDB0014901 hmdb
    Molport-000-563-838 molport
    Molport-002-508-019 molport
    1745 drugcentral
    50241361 bindingdb
    The data in this table is sourced from UniChem at EBI.