Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H16N2OS2/c1-19-12-6-8-13(9-7-12)20-10-11-21-16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)
SMILES COc1ccc(cc1)SCCSc1nc2c([nH]1)cccc2
InChI Key RVXSFTUXMYYSCT-UHFFFAOYSA-N
Molecular Formula C16H16N2OS2
Exact Mass 316.441 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RVXSFTUXMYYSCT-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/RVXSFTUXMYYSCT-UHFFFAOYSA-N/Mass/EI.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:17:33.503268
MetadataModified 2024-09-07T13:41:42.185816
MetadataPublished 2014-08-05
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
76853105 PubChem
CHEMBL4203334 ChEMBL
REFPAW CCDC
The data in this table is sourced from UniChem at EBI.