Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C24H51NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2,3)23-20-21-24-29(26,27)28/h4-24H2,1-3H3
SMILES CCCCCCCCCCCCCCCCCC[N+](CCCCS(=O)(=O)[O-])(C)C
InChI Key ISZZVWZCCZYJAF-UHFFFAOYSA-N
Molecular Formula C24H51NO3S
Exact Mass 433.732 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ISZZVWZCCZYJAF-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/ISZZVWZCCZYJAF-UHFFFAOYSA-N/CHMO0000470
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-07
Related Molecule
  • 4-[dimethyl(octadecyl)azaniumyl]butane-1-sulfonate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    58196111 pubchem
    The data in this table is sourced from UniChem at EBI.