Dataset

Sulfapyridine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF408804 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-UFZ-UF408804
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MetadataPublished 2017-01-05
Related Molecule
  • 4-amino-N-pyridin-2-ylbenzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00891 drugbank
    CHEBI:132842 chebi
    SFY rcsb_pdb
    CHEMBL700 chembl
    29438089 surechembl
    44219 surechembl
    5336 pubchem
    12698 gtopdb
    PD001745 probes_and_drugs
    BEWKUJ CCDC
    Y5V2N1KE8U fdasrs
    HMDB0015028 hmdb
    413405 bindingdb
    413415 bindingdb
    413425 bindingdb
    413435 bindingdb
    413599 bindingdb
    413614 bindingdb
    413629 bindingdb
    50664622 bindingdb
    50860583 bindingdb
    73941 bindingdb
    Molport-000-883-306 molport
    2524 drugcentral
    The data in this table is sourced from UniChem at EBI.