Dataset

N4-Acetylsulfadiazine

This MassBank record with Accession MSBNK-Athens_Univ-AU201301 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-AU201301
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:18.877658
MetadataModified 2024-01-11T09:49:19.061792
MetadataPublished 2015-12-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1608836 ChEMBL
ZINC000000116952 ZINC
DTXSID00155362 EPA CompTox Dashboard
83458 ChEBI
HMDB0244494 Human Metabolome Database
J86.554K Nikkaji
1252035 eMolecules
126701 Brenda
126459 Brenda
MTBLC83458 Metabolights
64952 PubChem
15902910 PubChem: Thomson Pharma
127-74-2 ACToR
5572-57-6 ACToR
SCHEMBL4123540 SureChEMBL
MCULE-7442664297 Mcule
5417251GZ4 FDA SRS
The data in this table is sourced from UniChem at EBI.