Dataset

N4-Acetylsulfathiazole; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU201003 contains the MS2 mass spectrum of N4-Acetylsulfathiazole with the InChIkey KXNXWINFSDKMHD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H11N3O3S2/c1-8(15)13-9-2-4-10(5-3-9)19(16,17)14-11-12-6-7-18-11/h2-7H,1H3,(H,12,14)(H,13,15)
SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
InChI Key KXNXWINFSDKMHD-UHFFFAOYSA-N
Molecular Formula C11H11N3O3S2
Exact Mass 297.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU201003
Version
Author
Maintainer
Language
MetadataPublished 2015-12-04
Related Molecule
  • N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL1102252 SureChEMBL
    MCULE-3491119737 Mcule
    DTXSID40891439 EPA CompTox Dashboard
    MTBLC83459 Metabolights
    127-76-4 ACToR
    3VVR2DO782 FDA SRS
    67183 PubChem
    15419282 PubChem: Thomson Pharma
    2747435 eMolecules
    CHEMBL1350909 ChEMBL
    WICTUA CCDC
    83459 ChEBI
    J43.363B Nikkaji
    ZINC000000062868 ZINC
    The data in this table is sourced from UniChem at EBI.