Dataset

N4-Acetylsulfathiazole

This MassBank record with Accession MSBNK-Athens_Univ-AU201002 contains the MS2 mass spectrum of N4-Acetylsulfathiazole with the InChIkey KXNXWINFSDKMHD-UHFFFAOYSA-N.

Chemical Info

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-AU201002
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:55:43.185779
MetadataModified 2025-02-08T19:01:18.491921
MetadataPublished 2015-12-04
Related Molecule
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.