Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H17ClOS2/c13-5-4-11(12-15-6-7-16-12)9-2-1-3-10(14)8-9/h9H,1-8H2
SMILES ClCCC(=C1SCCS1)C1CCCC(=O)C1
InChI Key XCZVBGQHMCFXSF-UHFFFAOYSA-N
Molecular Formula C12H17ClOS2
Exact Mass 276.846 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XCZVBGQHMCFXSF-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/XCZVBGQHMCFXSF-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:21:11.992134
MetadataModified 2024-09-07T14:15:31.903392
MetadataPublished 2018-04-13
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
132991789 PubChem
The data in this table is sourced from UniChem at EBI.