Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H12OS2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10-11H,3,6-7H2
SMILES Oc1ccccc1C1SCCCS1
InChI Key BKJDNXPECIOMDK-UHFFFAOYSA-N
Molecular Formula C10H12OS2
Exact Mass 212.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BKJDNXPECIOMDK-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/BKJDNXPECIOMDK-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:54:12.928155
MetadataModified 2024-09-07T13:17:22.068007
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
WADROJ CCDC
J1.663.209K Nikkaji
DTXSID00456609 EPA CompTox Dashboard
SCHEMBL16597319 SureChEMBL
16215713 PubChem: Thomson Pharma
11138426 PubChem
The data in this table is sourced from UniChem at EBI.