Dataset

Thiopental; LC-ESI-Q; MS; NEG; 60 V

This MassBank record with Accession MSBNK-Waters-WA000589 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-WA000589
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
    11946652 surechembl
    1611312 surechembl
    3000715 pubchem
    JI8Z5M7NA3 fdasrs
    2579 gtopdb
    PD009898 probes_and_drugs
    CHEBI:102166 chebi
    HMDB0014737 hmdb
    DTXSID1023653 comptox
    NCT00265616 clinicaltrials
    NCT00478907 clinicaltrials
    NCT00504894 clinicaltrials
    NCT00622570 clinicaltrials
    NCT00965107 clinicaltrials
    NCT01140100 clinicaltrials
    NCT01318044 clinicaltrials
    NCT02377778 clinicaltrials
    NCT03104140 clinicaltrials
    2633 drugcentral
    50058058 bindingdb
    The data in this table is sourced from UniChem at EBI.