Dataset

Sulfathiazole; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU102304 contains the MS2 mass spectrum of Sulfathiazole with the InChIkey JNMRHUJNCSQMMB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
SMILES NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
InChI Key JNMRHUJNCSQMMB-UHFFFAOYSA-N
Molecular Formula C9H9N3O2S2
Exact Mass 255.014 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU102304
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MetadataPublished 2019-05-30
Related Molecule
  • 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06147 drugbank
    CHEBI:9337 chebi
    YTZ rcsb_pdb
    CHEMBL437 chembl
    94165 surechembl
    5340 pubchem
    12699 gtopdb
    PD001743 probes_and_drugs
    SUTHAZ CCDC
    3232 brenda
    Y7FKS2XWQH fdasrs
    HMDB0015619 hmdb
    Molport-000-488-590 molport
    2527 drugcentral
    50027796 bindingdb
    The data in this table is sourced from UniChem at EBI.