Dataset

Sulfathiazole; LC-ESI-QTOF; MS2; 50 V

This MassBank record with Accession MSBNK-BAFG-CSL23111013677 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 C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2
InChI Key JNMRHUJNCSQMMB-UHFFFAOYSA-N
Molecular Formula C9H9N3O2S2
Exact Mass 255.014 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111013677
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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
    5340 PubChem
    PD001743 ProbesDrugs
    Y7FKS2XWQH FDA SRS
    YTZ PDBe
    15122365 PubChem: Thomson Pharma
    72-14-0 ACToR
    158269-46-6 ACToR
    sulfathiazole Selleck
    LSM-5327 LINCS
    474324 eMolecules
    HMDB0015619 Human Metabolome Database
    CB6133470 ChemicalBook
    SCHEMBL94165 SureChEMBL
    MCULE-1370710137 Mcule
    C11169 KEGG Ligand
    CHEMBL437 ChEMBL
    9337 ChEBI
    DB06147 DrugBank
    SULFATHIAZOLE rxnorm
    SULFATHIAZOLE SODIUM rxnorm
    HY-B0507 MedChemExpress
    3232 Brenda
    DTXSID8026068 EPA CompTox Dashboard
    2527 DrugCentral
    ZINC000000121458 ZINC
    J1.425G Nikkaji
    SUTHAZ CCDC
    50027796 BindingDB
    CB5402449 ChemicalBook
    The data in this table is sourced from UniChem at EBI.