Dataset

Thiopental; LC-ESI-Q; MS; NEG; 45 V

This MassBank record with Accession MSBNK-Waters-WA000590 contains the MS mass spectrum of Thiopental with the InChIkey IUJDSEJGGMCXSG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
SMILES CCCC(C)C(CC)(C(=O)1)C(=O)NC(=S)N1
InChI Key IUJDSEJGGMCXSG-UHFFFAOYSA-N
Molecular Formula C11H18N2O2S
Exact Mass 242.109 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-WA000590
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-ethyl-5-pentan-2-yl-2-sulfanyl-1H-pyrimidine-4,6-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00599 DrugBank
    CHEMBL441 ChEMBL
    2579 Guide to Pharmacology
    C07521 KEGG Ligand
    50058058 BindingDB
    J10.978I Nikkaji
    2633 DrugCentral
    DTXSID1023653 EPA CompTox Dashboard
    JI8Z5M7NA3 FDA SRS
    THIOPENTAL clinicaltrials
    THIOPENTAL SODIUM clinicaltrials
    PENTOTHAL clinicaltrials
    TRAPANAL clinicaltrials
    THIOPENTAL SODIUM rxnorm
    THIOPENTAL rxnorm
    HMDB0014737 Human Metabolome Database
    CB5265910 ChemicalBook
    PA451664 PharmGKB
    102166 ChEBI
    SCHEMBL1611312 SureChEMBL
    594613 eMolecules
    3000715 PubChem
    PD009898 ProbesDrugs
    14847511 PubChem: Thomson Pharma
    76-75-5 ACToR
    59709-53-4 ACToR
    The data in this table is sourced from UniChem at EBI.