Dataset

Disulfiram; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001475 contains the MS 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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001475
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL27213 SureChEMBL
    MCULE-1443050857 Mcule
    30096629 NMRShiftDB
    disulfiram DailyMed
    CB0476519 ChemicalBook
    HMDB0014960 Human Metabolome Database
    986 Brenda
    49442 Brenda
    105599 Brenda
    135293 Brenda
    155379 Brenda
    97207 Brenda
    3117 PubChem
    PD002360 ProbesDrugs
    TR3MLJ1UAI FDA SRS
    disulfiram Atlas
    LSM-5467 LINCS
    97-77-8 ACToR
    11078-22-1 ACToR
    PA449376 PharmGKB
    14751553 PubChem: Thomson Pharma
    28294932 eMolecules
    531942 eMolecules
    DB00822 DrugBank
    C01692 KEGG Ligand
    CHEMBL964 ChEMBL
    4659 ChEBI
    SAM001247028 NIH Clinical Collection
    12707 Brenda
    Disulfiram(Antabuse) Selleck
    DISULFIRAM DailyMed
    50058655 BindingDB
    DISULFIRAM rxnorm
    ANTABUSE clinicaltrials
    DISULFIRAM clinicaltrials
    ORA-102 clinicaltrials
    ORA102 clinicaltrials
    HY-B0240 MedChemExpress
    DTXSID1021322 EPA CompTox Dashboard
    928 DrugCentral
    ZINC000001529266 ZINC
    J3.980B Nikkaji
    7168 Guide to Pharmacology
    ETHUSS CCDC
    ANTABUSE rxnorm
    The data in this table is sourced from UniChem at EBI.