EI-MS and ESI-MS/MS study of O,O-dialkyl(diaryl) methylphosphonoselenoates

被引：4

作者：

Saeidian, Hamid ^{[1
]}

Hosseini, Seyed Esmaeil ^{[2
,3
]}

Amozadeh, Ali ^{[2
]}

Naseri, Mohammad Tagh ^{[3
]}

Babri, Mehran ^{[3
]}

机构：

[1] PNU, Dept Sci, POB 19395-4697, Tehran, Iran

[2] Semnan Univ, Dept Chem, POB 35131-19111, Semnan, Iran

[3] DCRL, POB 31585-1461, Karaj, Iran

来源：

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY | 2016年 / 409卷

关键词：

Methylphosphonoselenoates; Chemical Weapons Convention; Selenono-selenolo rearrangement; Nucleophilic aromatic substitution reaction; MS/MS experiments; DFT calculations; CHEMICAL WEAPONS CONVENTION; MASS-SPECTROMETRY; WARFARE AGENTS; CHROMATOGRAPHY; MICROSYNTHESIS; REARRANGEMENT; IMPACT;

D O I：

10.1016/j.ijms.2016.10.002

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

For the first time, a new series of compounds, O,O-diallcyl(diaryl) methylphosphonoselenoates, listed in Schedule 2.B.04 of the Chemical Weapons Convention was synthesized and investigated by the electron-impact (EI) and electrospray ionization (ESI) mass spectrometry. General EI and ESI fragmentation pathways were proposed and confirmed by analyzing fragment ions of deuterated analogs and by the use of density functional theory (DFT) calculations. Several novel fragmentations and rearrangements, involving an intramolecular selenono-selenolo rearrangement have been observed. The study also suggests that a previously unknown nucleophilic aromatic substitution reaction takes place during the fragmentation process. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：44 / 52

页数：9

共 23 条

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