Citation

Hosseini SE, Mousavi Faraz S, Naseri MT, Ashrafi D, Saeidian H. Rapid Commun. Mass Spectrom. 2021; ePub(ePub): ePub.

Copyright

(Copyright © 2021, John Wiley and Sons)

DOI

10.1002/rcm.9209

PMID

34618382

Abstract

RATIONALE: Organophosphorus compounds with phosphorus atom bonded to one methyl, ethyl, or propyl ((normal or iso) group are listed in Schedule 2 of the Chemical Weapons Convention (CWC). Selenophosphorus compounds, listed in Schedule 2.B.4, have very limited representation in mass spectral libraries and the open literature.

METHODS: A new category of selenophosphorus compounds was prepared via microsynthetic protocols and their fragmentation pathways investigated by the electron ionization (EI) and positive electrospray ionization (ESI) mass spectrometry. The EI and ESI fragmentation pathways were suggested and supported by acquired fragment ions of the deuterated analogs and density functional theory calculations.

RESULTS: Mass spectrometric investigations showed some interesting fragmentation pathways, such as McLafferty-type, selenono-selenolo rearrangements, intramolecular electrophilic aromatic substitution reaction and α-cleavage.

CONCLUSIONS: The efficient microsynthesis, EI-MS spectra and ESI-MS/MS spectra of a series of selenophosphorus compounds were collected and studies with the purpose of identifying CWC-related chemicals during on-site inspection and/or off-site analysis.

Language: en