Dataset

Disulfiram; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01163205 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-EQ01163205
Version
Author
Maintainer
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MetadataPublished 2024-01-16
Related Molecule
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  • 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
    DTXSID1021322 comptox
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    NCT00094289 clinicaltrials
    NCT00142844 clinicaltrials
    NCT00149630 clinicaltrials
    NCT00218608 clinicaltrials
    NCT00256230 clinicaltrials
    NCT00312819 clinicaltrials
    NCT00350870 clinicaltrials
    NCT00395850 clinicaltrials
    NCT00431262 clinicaltrials
    NCT00435435 clinicaltrials
    NCT00571116 clinicaltrials
    NCT00721526 clinicaltrials
    NCT00729300 clinicaltrials
    NCT00731133 clinicaltrials
    NCT00742911 clinicaltrials
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    NCT01944371 clinicaltrials
    NCT02101008 clinicaltrials
    NCT02134002 clinicaltrials
    NCT02671890 clinicaltrials
    NCT02678975 clinicaltrials
    NCT02715609 clinicaltrials
    NCT02735577 clinicaltrials
    NCT02770378 clinicaltrials
    NCT02963051 clinicaltrials
    NCT03034135 clinicaltrials
    NCT03151772 clinicaltrials
    NCT03198559 clinicaltrials
    NCT03323346 clinicaltrials
    NCT03363659 clinicaltrials
    NCT03714555 clinicaltrials
    NCT03714555 clinicaltrials
    NCT03891667 clinicaltrials
    NCT03950830 clinicaltrials
    NCT04265274 clinicaltrials
    NCT04485130 clinicaltrials
    NCT04502589 clinicaltrials
    NCT04521335 clinicaltrials
    NCT04594343 clinicaltrials
    NCT05162001 clinicaltrials
    NCT05210374 clinicaltrials
    NCT05626920 clinicaltrials
    NCT06319872 clinicaltrials
    Molport-001-792-519 molport
    928 drugcentral
    50058655 bindingdb
    The data in this table is sourced from UniChem at EBI.