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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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
    CHEMBL268869 ChEMBL
    102516 ChEBI
    J9.115D Nikkaji
    2515 DrugCentral
    HY-B1387 MedChemExpress
    DTXSID5023611 EPA CompTox Dashboard
    SULFAMETHOXYPYRIDAZINE rxnorm
    SLFNMF CCDC
    HMDB0258575 Human Metabolome Database
    DB13773 DrugBank
    ZINC000000049141 ZINC
    11268 Brenda
    CB1107025 ChemicalBook
    MCULE-1902045342 Mcule
    SCHEMBL93617 SureChEMBL
    5330 PubChem
    PD001487 ProbesDrugs
    T034E4NS2Z FDA SRS
    LSM-5204 LINCS
    80-35-3 ACToR
    14872997 PubChem: Thomson Pharma
    631768 eMolecules
    The data in this table is sourced from UniChem at EBI.