Dataset

Sulfapyridine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU234404 contains the MS2 mass spectrum of Sulfapyridine with the InChIkey GECHUMIMRBOMGK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
SMILES NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1
InChI Key GECHUMIMRBOMGK-UHFFFAOYSA-N
Molecular Formula C11H11N3O2S
Exact Mass 249.057 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-AU234404
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MetadataPublished 2019-05-30
Related Molecule
  • 4-amino-N-pyridin-2-ylbenzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5336 PubChem
    PD001745 ProbesDrugs
    Y5V2N1KE8U FDA SRS
    LSM-5531 LINCS
    SCHEMBL44219 SureChEMBL
    144-83-2 ACToR
    Sulfapyridine(Dagenan) Selleck
    15221159 PubChem: Thomson Pharma
    511929 eMolecules
    CB8423160 ChemicalBook
    12698 Brenda
    PA164779050 PharmGKB
    MCULE-7911106459 Mcule
    20202461 NMRShiftDB
    DB00891 DrugBank
    CHEMBL700 ChEMBL
    132842 ChEBI
    SULFAPYRIDINE clinicaltrials
    HY-B0212 MedChemExpress
    DTXSID3026067 EPA CompTox Dashboard
    ZINC000000002105 ZINC
    J5.831I Nikkaji
    BEWKUJ CCDC
    39340 BindingDB
    SULFAPYRIDINE rxnorm
    SFY PDBe
    2524 DrugCentral
    HMDB0015028 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.