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
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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
    DB00250 drugbank
    CHEBI:4325 chebi
    CHEMBL1043 chembl
    1219599 surechembl
    21428 surechembl
    2955 pubchem
    8W5C518302 fdasrs
    10934 gtopdb
    PD002394 probes_and_drugs
    DAPSUO CCDC
    25832 brenda
    3721 brenda
    44033 brenda
    91595 brenda
    HMDB0014395 hmdb
    Molport-001-780-172 molport
    782 drugcentral
    50029764 bindingdb
    The data in this table is sourced from UniChem at EBI.