Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C13H24O3S/c1-12(14)17-11-9-7-5-3-2-4-6-8-10-13(15)16/h2-11H2,1H3,(H,15,16)
SMILES OC(=O)CCCCCCCCCCSC(=O)C
InChI Key DHKWYRRJFXRZOA-UHFFFAOYSA-N
Molecular Formula C13H24O3S
Exact Mass 260.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/DHKWYRRJFXRZOA-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 11-acetylsulfanylundecanoic acid
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    229573 PubChem
    16363650 PubChem: Thomson Pharma
    6974-31-8 ACToR
    DTXSID70281884 EPA CompTox Dashboard
    SCHEMBL1647647 SureChEMBL
    J1.293.290A Nikkaji
    The data in this table is sourced from UniChem at EBI.