Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)
SMILES OC(=O)C1SCCCS1
InChI Key BZBYEAWKJNCPLB-UHFFFAOYSA-N
Molecular Formula C5H8O2S2
Exact Mass 164.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BZBYEAWKJNCPLB-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/BZBYEAWKJNCPLB-UHFFFAOYSA-N/Mass/EI.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-30
Related Molecule
  • 1,3-dithiane-2-carboxylic acid
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    GIW PDBe
    J904.620H Nikkaji
    ZINC000005217753 ZINC
    DTXSID70174424 EPA CompTox Dashboard
    CB7721085 ChemicalBook
    36553993 eMolecules
    20461-89-6 ACToR
    SCHEMBL313459 SureChEMBL
    303705 PubChem
    The data in this table is sourced from UniChem at EBI.