Dataset

Sulfadimidin / sulfamethazin; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+Na]+

This MassBank record with Accession MSBNK-UFZ-UF409936 contains the MS2 mass spectrum of Sulfadimidin / sulfamethazin with the InChIkey ASWVTGNCAZCNNR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
SMILES CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1
InChI Key ASWVTGNCAZCNNR-UHFFFAOYSA-N
Molecular Formula C12H14N4O2S
Exact Mass 278.084 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-UF409936
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01582 drugbank
    CHEBI:102265 chebi
    CHEMBL446 chembl
    151305 surechembl
    5327 pubchem
    48U51W007F fdasrs
    12642 gtopdb
    PD001748 probes_and_drugs
    SLFNMD CCDC
    185513 brenda
    226950 brenda
    227784 brenda
    3845 brenda
    69579 brenda
    HMDB0015522 hmdb
    50753325 bindingdb
    Molport-000-887-465 molport
    2502 drugcentral
    The data in this table is sourced from UniChem at EBI.