Dataset

Sulfamethazine

This MassBank record with Accession MSBNK-Athens_Univ-AU100804 contains the MS2 mass spectrum of Sulfamethazine with the InChIkey ASWVTGNCAZCNNR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
SMILES CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1
InChI Key ASWVTGNCAZCNNR-UHFFFAOYSA-N
Molecular Formula C12H14N4O2S
Exact Mass 278.084 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-AU100804
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:22.146138
MetadataModified 2025-02-08T18:56:22.238544
MetadataPublished 2015-12-06
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
69579 Brenda
CB8116727 ChemicalBook
HMDB0015522 Human Metabolome Database
SCHEMBL151305 SureChEMBL
MCULE-7831442410 Mcule
20208328 NMRShiftDB
PD001748 ProbesDrugs
48U51W007F FDA SRS
LSM-5295 LINCS
14775220 PubChem: Thomson Pharma
sulfamethazine Selleck
PA451542 PharmGKB
57-68-1 ACToR
474320 eMolecules
50238670 BindingDB
SULFAMETHAZINE rxnorm
SULFADIMIDINE clinicaltrials
SULFAMETHAZINE clinicaltrials
HY-B0035 MedChemExpress
227784 Brenda
DTXSID6021290 EPA CompTox Dashboard
2502 DrugCentral
ZINC000000057494 ZINC
J106.516E Nikkaji
SLFNMD CCDC
3845 Brenda
226950 Brenda
5327 PubChem
102265 ChEBI
DB01582 DrugBank
C19530 KEGG Ligand
CHEMBL446 ChEMBL
The data in this table is sourced from UniChem at EBI.