Dataset

N4-Acetylsulfadiazine

This MassBank record with Accession MSBNK-Athens_Univ-AU201305 contains the MS2 mass spectrum of N4-Acetylsulfadiazine with the InChIkey NJIZUWGMNCUKGU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1
InChI Key NJIZUWGMNCUKGU-UHFFFAOYSA-N
Molecular Formula C12H12N4O3S
Exact Mass 292.063 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-AU201305
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:03:39.660400
MetadataModified 2025-02-08T18:55:24.204975
MetadataPublished 2015-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15902910 PubChem: Thomson Pharma
5572-57-6 ACToR
127-74-2 ACToR
64952 PubChem
1252035 eMolecules
MCULE-7442664297 Mcule
SCHEMBL4123540 SureChEMBL
5417251GZ4 FDA SRS
126701 Brenda
126459 Brenda
MTBLC83458 Metabolights
CHEMBL1608836 ChEMBL
ZINC000000116952 ZINC
HMDB0244494 Human Metabolome Database
DTXSID00155362 EPA CompTox Dashboard
83458 ChEBI
J86.554K Nikkaji
The data in this table is sourced from UniChem at EBI.