Dataset

Disulfiram; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01163209 contains the MS2 mass spectrum of Disulfiram with the InChIkey AUZONCFQVSMFAP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
InChI Key AUZONCFQVSMFAP-UHFFFAOYSA-N
Molecular Formula C10H20N2S4
Exact Mass 296.051 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-Eawag-EQ01163209
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Maintainer
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MetadataPublished 2024-01-16
Related Molecule
  • diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00822 drugbank
    CHEBI:4659 chebi
    CHEMBL964 chembl
    27213 surechembl
    3117 pubchem
    TR3MLJ1UAI fdasrs
    7168 gtopdb
    PD002360 probes_and_drugs
    ETHUSS CCDC
    105599 brenda
    12707 brenda
    135293 brenda
    155379 brenda
    49442 brenda
    97207 brenda
    986 brenda
    HMDB0014960 hmdb
    Molport-001-792-519 molport
    928 drugcentral
    50058655 bindingdb
    The data in this table is sourced from UniChem at EBI.