Dataset

Sulfamethoxazole; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU101805 contains the MS2 mass spectrum of Sulfamethoxazole with the InChIkey JLKIGFTWXXRPMT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
SMILES CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1
InChI Key JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula C10H11N3O3S
Exact Mass 253.052 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-AU101805
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MetadataPublished 2015-12-07
Related Molecule
  • 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01015 drugbank
    CHEBI:9332 chebi
    08D rcsb_pdb
    CHEMBL443 chembl
    3656 surechembl
    5329 pubchem
    JE42381TNV fdasrs
    08D - Ideal conformer pdbe
    10933 gtopdb
    PD001746 probes_and_drugs
    SLFNMB CCDC
    2097 brenda
    50294 brenda
    HMDB0015150 hmdb
    Molport-000-145-787 molport
    2514 drugcentral
    50029770 bindingdb
    The data in this table is sourced from UniChem at EBI.