Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H11NS2/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h2-5,11H,1,6-7H2
SMILES N#Cc1ccc(cc1)C1SCCCS1
InChI Key HJKDEHIETWUANJ-UHFFFAOYSA-N
Molecular Formula C11H11NS2
Exact Mass 221.342 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HJKDEHIETWUANJ-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/HJKDEHIETWUANJ-UHFFFAOYSA-N/Mass/EI
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-(1,3-dithian-2-yl)benzonitrile
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.491.471B Nikkaji
    ZINC000000076628 ZINC
    MCULE-2691939166 Mcule
    DTXSID50369412 EPA CompTox Dashboard
    46485348 PubChem: Thomson Pharma
    2726586 PubChem
    SCHEMBL11850831 SureChEMBL
    The data in this table is sourced from UniChem at EBI.