Dataset

Morphothion; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01128306 contains the MS2 mass spectrum of Morphothion with the InChIkey NTHGWXIWFHGPLK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3
SMILES COP(=S)(OC)SCC(=O)N1CCOCC1
InChI Key NTHGWXIWFHGPLK-UHFFFAOYSA-N
Molecular Formula C8H16NO4PS2
Exact Mass 285.026 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01128306
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • 2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    118076 surechembl
    8952 pubchem
    7V9MBL2263 fdasrs
    The data in this table is sourced from UniChem at EBI.