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
    MMZ pdbe
    CHEBI:50673 chebi
    HMDB0014901 hmdb
    DTXSID4020820 comptox
    NCT00001421 clinicaltrials
    NCT00150111 clinicaltrials
    NCT00150124 clinicaltrials
    NCT00150137 clinicaltrials
    NCT00917241 clinicaltrials
    NCT01458600 clinicaltrials
    NCT01565213 clinicaltrials
    NCT01849861 clinicaltrials
    NCT02654041 clinicaltrials
    NCT04776993 clinicaltrials
    NCT05017610 clinicaltrials
    NCT05118542 clinicaltrials
    NCT05461820 clinicaltrials
    NCT05607407 clinicaltrials
    NCT06068179 clinicaltrials
    NCT06240455 clinicaltrials
    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.