Citation

Saeidian H, Babri M, Ashrafi D, Sarabadani M, Naseri MT. Anal. Bioanal. Chem. 2013; 405(21): 6749-6759.

Affiliation

Department of Science, Payame Noor University (PNU), P.O. Box: 19395-4697, Tehran, Iran, h_porkaleh@yahoo.com.

Copyright

(Copyright © 2013, Holtzbrinck Springer Nature Publishing Group)

DOI

10.1007/s00216-013-7094-8

PMID

23793396

Abstract

: The electron-impact (EI) mass spectra of a series of O-alkyl methylphosphonothionocyanidates were studied for Chemical Weapons Convention (CWC) purposes. General EI fragmentation pathways were constructed and discussed, and collision-induced dissociation studies of the major EI ions were performed to confirm proposed fragment structures by analyzing fragment ions of deuterated analogs and by use of density functional theory (DFT) calculations. Thiono-thiolo rearrangement, McLafferty-type rearrangement, and a previously unknown intramolecular electrophilic aromatic substitution reaction were observed and confirmed. The study also focused on differentiation of isomeric compounds. Retention indices for all compounds, and an electrophilicity index for several compounds, are reported and interpreted.

Language: en