Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H10O2S2/c13-11-8-3-1-2-4-10(8)14-7-9(11)12-15-5-6-16-12/h1-4,7,12H,5-6H2
SMILES O=c1c(coc2c1cccc2)C1SCCS1
InChI Key IFQYZAZASQVTKI-UHFFFAOYSA-N
Molecular Formula C12H10O2S2
Exact Mass 250.337 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IFQYZAZASQVTKI-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/IFQYZAZASQVTKI-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 3-(1,3-dithiolan-2-yl)chromen-4-one
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2743620 PubChem
    DTXSID40372495 EPA CompTox Dashboard
    SCHEMBL16597430 SureChEMBL
    The data in this table is sourced from UniChem at EBI.