Dataset

Sulfadoxine; LC-ESI-QTOF; MS2; CE: Ramp 21.8-32.7 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU101001 contains the MS2 mass spectrum of Sulfadoxine with the InChIkey PJSFRIWCGOHTNF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
SMILES COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)N
InChI Key PJSFRIWCGOHTNF-UHFFFAOYSA-N
Molecular Formula C12H14N4O4S
Exact Mass 310.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU101001
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MetadataPublished 2015-07-05
Related Molecule
  • 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01299 drugbank
    CHEBI:9329 chebi
    CHEMBL1539 chembl
    29390814 surechembl
    41069 surechembl
    17134 pubchem
    88463U4SM5 fdasrs
    10173 gtopdb
    PD000200 probes_and_drugs
    DOLJIX CCDC
    76332 brenda
    8489 brenda
    HMDB0015413 hmdb
    Molport-003-850-341 molport
    2503 drugcentral
    50238671 bindingdb
    The data in this table is sourced from UniChem at EBI.