Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H14S2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2/b8-7+
SMILES C1CSC(SC1)/C=C/c1ccccc1
InChI Key UOZNYAIYXGTVKD-BQYQJAHWSA-N
Molecular Formula C12H14S2
Exact Mass 222.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UOZNYAIYXGTVKD-BQYQJAHWSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/UOZNYAIYXGTVKD-BQYQJAHWSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-[(E)-2-phenylethenyl]-1,3-dithiane
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000001764079 ZINC
    SCHEMBL16597374 SureChEMBL
    J819.617F Nikkaji
    J548.885K Nikkaji
    69178-10-5 ACToR
    16948624 PubChem: Thomson Pharma
    5372969 PubChem
    The data in this table is sourced from UniChem at EBI.