Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H17O3PS2/c1-3-10-12(9,11-4-2)8-13-6-5-7-14-8/h8H,3-7H2,1-2H3
SMILES CCOP(=O)(C1SCCCS1)OCC
InChI Key BGXBJZCFBVTFFP-UHFFFAOYSA-N
Molecular Formula C8H17O3PS2
Exact Mass 256.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BGXBJZCFBVTFFP-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/BGXBJZCFBVTFFP-UHFFFAOYSA-N/Mass/EI.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • 2-diethoxyphosphoryl-1,3-dithiane
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000034543740 ZINC
    J585.288I Nikkaji
    DTXSID20446542 EPA CompTox Dashboard
    36750001 eMolecules
    15998382 PubChem: Thomson Pharma
    SCHEMBL2440947 SureChEMBL
    10869064 PubChem
    The data in this table is sourced from UniChem at EBI.