Dataset

Dapsone

This MassBank record with Accession MSBNK-Waters-WA001686 contains the MS mass spectrum of Dapsone with the InChIkey MQJKPEGWNLWLTK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
SMILES Nc(c2)ccc(c2)S(=O)(=O)c(c1)ccc(N)c1
InChI Key MQJKPEGWNLWLTK-UHFFFAOYSA-N
Molecular Formula C12H12N2O2S
Exact Mass 248.062 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001686
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:34:14.546018
MetadataModified 2025-02-09T20:20:21.363834
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD002394 ProbesDrugs
8W5C518302 FDA SRS
LSM-5714 LINCS
80-08-0 ACToR
SCHEMBL21428 SureChEMBL
PA449211 PharmGKB
15196656 PubChem: Thomson Pharma
498059 eMolecules
17392619 eMolecules
44033 Brenda
25832 Brenda
91595 Brenda
HMDB0014395 Human Metabolome Database
dapsone DailyMed
CB0152851 ChemicalBook
3721 Brenda
MCULE-7294380437 Mcule
2955 PubChem
DB00250 DrugBank
24714727 PubChem: Drugs of the Future
CHEMBL1043 ChEMBL
SAM002554879 NIH Clinical Collection
4325 ChEBI
C07666 KEGG Ligand
782 DrugCentral
ZINC000000006310 ZINC
10934 Guide to Pharmacology
DAPSONE DailyMed
ACZONE rxnorm
DAPSONE rxnorm
50029764 BindingDB
ACZONE clinicaltrials
DAPSONE clinicaltrials
HY-B0688 MedChemExpress
DTXSID4020371 EPA CompTox Dashboard
J4.247A Nikkaji
DAPSUO CCDC
DIAPHENYLSULFONE clinicaltrials
The data in this table is sourced from UniChem at EBI.