Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C13H12O2S2/c14-12-9-4-1-2-5-11(9)15-8-10(12)13-16-6-3-7-17-13/h1-2,4-5,8,13H,3,6-7H2
SMILES O=c1c(coc2c1cccc2)C1SCCCS1
InChI Key LYYMYGNCESQRAA-UHFFFAOYSA-N
Molecular Formula C13H12O2S2
Exact Mass 264.363 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYYMYGNCESQRAA-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/LYYMYGNCESQRAA-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 3-(1,3-dithian-2-yl)chromen-4-one
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427312 PubChem
    SCHEMBL16597331 SureChEMBL
    J3.039.062H Nikkaji
    The data in this table is sourced from UniChem at EBI.