Dataset

N4-Acetylsulfathiazole

This MassBank record with Accession MSBNK-Athens_Univ-AU201003 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-AU201003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:43.124438
MetadataModified 2024-01-11T09:47:43.295652
MetadataPublished 2015-12-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3VVR2DO782 FDA SRS
15419282 PubChem: Thomson Pharma
67183 PubChem
127-76-4 ACToR
SCHEMBL1102252 SureChEMBL
MCULE-3491119737 Mcule
DTXSID40891439 EPA CompTox Dashboard
MTBLC83459 Metabolights
2747435 eMolecules
CHEMBL1350909 ChEMBL
83459 ChEBI
WICTUA CCDC
J43.363B Nikkaji
ZINC000000062868 ZINC
The data in this table is sourced from UniChem at EBI.