Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H14O2S2/c1-12-9-4-3-8(7-10(9)13-2)11-14-5-6-15-11/h3-4,7,11H,5-6H2,1-2H3
SMILES COc1cc(ccc1OC)C1SCCS1
InChI Key GCEOBMQOSMEWSN-UHFFFAOYSA-N
Molecular Formula C11H14O2S2
Exact Mass 242.358 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GCEOBMQOSMEWSN-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/GCEOBMQOSMEWSN-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:42:08.805951
MetadataModified 2024-09-07T19:58:29.661743
MetadataPublished 2021-06-16
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J91.150J Nikkaji
MCULE-2019595360 Mcule
DTXSID00220201 EPA CompTox Dashboard
SCHEMBL9778828 SureChEMBL
69922-36-7 ACToR
50928 PubChem
The data in this table is sourced from UniChem at EBI.