Dataset

N4-Acetylsulfamethazine

This MassBank record with Accession MSBNK-Athens_Univ-AU201205 contains the MS2 mass spectrum of N4-Acetylsulfamethazine with the InChIkey LJKAKWDUZRJNPJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
SMILES Cc1cc(nc(n1)NS(=O)(=O)c2ccc(cc2)/N=C(\C)/O)C
InChI Key LJKAKWDUZRJNPJ-UHFFFAOYSA-N
Molecular Formula C14H16N4O3S
Exact Mass 320.094 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-AU201205
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:59:41.404358
MetadataModified 2025-02-08T18:56:21.935740
MetadataPublished 2015-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1053428 eMolecules
ZINC000000052440 ZINC
83457 ChEBI
J285.125C Nikkaji
CB91216324 ChemicalBook
HMDB0244280 Human Metabolome Database
DTXSID50142848 EPA CompTox Dashboard
145391 Brenda
57476 Brenda
MTBLC83457 Metabolights
145620 Brenda
94178 Brenda
211761 Brenda
MCULE-2915137169 Mcule
66855 PubChem
100-90-3 ACToR
The data in this table is sourced from UniChem at EBI.