Dataset

Sulfadimethoxine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU100902 contains the MS2 mass spectrum of Sulfadimethoxine with the InChIkey ZZORFUFYDOWNEF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
SMILES COc1cc(nc(n1)OC)NS(=O)(=O)c2ccc(cc2)N
InChI Key ZZORFUFYDOWNEF-UHFFFAOYSA-N
Molecular Formula C12H14N4O4S
Exact Mass 310.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU100902
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MetadataPublished 2015-09-22
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06150 drugbank
    CHEBI:32161 chebi
    CHEMBL62193 chembl
    29363944 surechembl
    93845 surechembl
    5323 pubchem
    30CPC5LDEX fdasrs
    12638 gtopdb
    PD001499 probes_and_drugs
    SFDMOX CCDC
    23506 brenda
    HMDB0015621 hmdb
    Molport-001-018-216 molport
    2501 drugcentral
    50238669 bindingdb
    The data in this table is sourced from UniChem at EBI.