Dataset

Sulfamethazine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM850301 contains the MS2 mass spectrum of Sulfamethazine 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 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)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-CASMI_2016-SM850301
Version
Author
Maintainer
Language
MetadataPublished 2016-12-12
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
    Molport-000-887-465 molport
    2502 drugcentral
    50238670 bindingdb
    The data in this table is sourced from UniChem at EBI.