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
Version
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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
    69579 Brenda
    CB8116727 ChemicalBook
    HMDB0015522 Human Metabolome Database
    SCHEMBL151305 SureChEMBL
    MCULE-7831442410 Mcule
    20208328 NMRShiftDB
    PD001748 ProbesDrugs
    48U51W007F FDA SRS
    LSM-5295 LINCS
    14775220 PubChem: Thomson Pharma
    sulfamethazine Selleck
    PA451542 PharmGKB
    57-68-1 ACToR
    474320 eMolecules
    50238670 BindingDB
    SULFAMETHAZINE rxnorm
    SULFADIMIDINE clinicaltrials
    SULFAMETHAZINE clinicaltrials
    HY-B0035 MedChemExpress
    227784 Brenda
    DTXSID6021290 EPA CompTox Dashboard
    2502 DrugCentral
    ZINC000000057494 ZINC
    J106.516E Nikkaji
    SLFNMD CCDC
    3845 Brenda
    226950 Brenda
    5327 PubChem
    102265 ChEBI
    DB01582 DrugBank
    C19530 KEGG Ligand
    CHEMBL446 ChEMBL
    The data in this table is sourced from UniChem at EBI.