Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H27NO2S/c1-3-13-17-16(19)12-10-8-6-4-5-7-9-11-14-20-15(2)18/h1H,4-14H2,2H3,(H,17,19)
SMILES C#CCNC(=O)CCCCCCCCCCSC(=O)C
InChI Key ZYZROVWSIIWVJU-UHFFFAOYSA-N
Molecular Formula C16H27NO2S
Exact Mass 297.456 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZYZROVWSIIWVJU-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZYZROVWSIIWVJU-UHFFFAOYSA-N/Mass/EI.1
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • S-[11-oxo-11-(prop-2-ynylamino)undecyl] ethanethioate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427278 PubChem
    J2.619.699J Nikkaji
    The data in this table is sourced from UniChem at EBI.