Dataset

Sulfamethoxypyridazine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU101502 contains the MS2 mass spectrum of Sulfamethoxypyridazine with the InChIkey VLYWMPOKSSWJAL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
SMILES COc1ccc(nn1)NS(=O)(=O)c2ccc(cc2)N
InChI Key VLYWMPOKSSWJAL-UHFFFAOYSA-N
Molecular Formula C11H12N4O3S
Exact Mass 280.063 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-AU101502
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Maintainer
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MetadataPublished 2015-09-22
Related Molecule
  • 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13773 drugbank
    CHEBI:102516 chebi
    CHEMBL268869 chembl
    29360723 surechembl
    93617 surechembl
    5330 pubchem
    T034E4NS2Z fdasrs
    12686 gtopdb
    PD001487 probes_and_drugs
    SLFNMF CCDC
    11268 brenda
    HMDB0258575 hmdb
    Molport-000-697-322 molport
    2515 drugcentral
    The data in this table is sourced from UniChem at EBI.