Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H16O2S2/c1-13-10-5-4-9(8-11(10)14-2)12-15-6-3-7-16-12/h4-5,8,12H,3,6-7H2,1-2H3
SMILES COc1cc(ccc1OC)C1SCCCS1
InChI Key BYSFFOIEDQTZBD-UHFFFAOYSA-N
Molecular Formula C12H16O2S2
Exact Mass 256.384 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYSFFOIEDQTZBD-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/BYSFFOIEDQTZBD-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:40:27.560477
MetadataModified 2024-09-07T19:56:20.407598
MetadataPublished 2021-06-04
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11010592 PubChem
50766-67-1 ACToR
16071926 PubChem: Thomson Pharma
SCHEMBL8057984 SureChEMBL
ZINC000015041878 ZINC
DTXSID00451811 EPA CompTox Dashboard
J793.292H Nikkaji
The data in this table is sourced from UniChem at EBI.