Dataset

Dapsone; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA001685 contains the MS mass spectrum of Dapsone with the InChIkey MQJKPEGWNLWLTK-UHFFFAOYSA-N.

Chemical Information

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-WA001685
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-(4-aminophenyl)sulfonylaniline
    • 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.