Dataset

N4-Acetylsulfadimethoxine

This MassBank record with Accession MSBNK-Athens_Univ-AU201104 contains the MS2 mass spectrum of N4-Acetylsulfadimethoxine with the InChIkey DQWIIKBKAIPUPY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-14-16-12(22-2)8-13(17-14)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
SMILES COC1=CC(OC)=NC(NS(=O)(=O)C2=CC=C(NC(C)=O)C=C2)=N1
InChI Key DQWIIKBKAIPUPY-UHFFFAOYSA-N
Molecular Formula C14H16N4O5S
Exact Mass 352.084 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-AU201104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:12:07.089843
MetadataModified 2025-02-08T19:11:48.367640
MetadataPublished 2015-12-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24341-30-8 ACToR
168167 PubChem
83456 ChEBI
HMDB0255282 Human Metabolome Database
DTXSID90891444 EPA CompTox Dashboard
MTBLC83456 Metabolights
The data in this table is sourced from UniChem at EBI.