Gas chromatography/mass spectrometric analysis of N,N‐dialkylaminoethyl‐2‐chlorides and trimethylsilyl derivatives of N,N‐dialkylaminoethan‐2‐ols for verification of the Chemical Weapons Convention

Gupta, Atul; Pardasani, Deepak; Kanaujia, Pankaj K.; Tak, Vijay; Dubey, D. K.

doi:10.1002/rcm.2569

Rapid Comm Mass Spectrometry

2006

DOI: 10.1002/rcm.2569

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Gas chromatography/mass spectrometric analysis of N,N‐dialkylaminoethyl‐2‐chlorides and trimethylsilyl derivatives of N,N‐dialkylaminoethan‐2‐ols for verification of the Chemical Weapons Convention

Atul Gupta

Deepak Pardasani

Pankaj K. Kanaujia

et al.

Abstract: Gas chromatography/electron ionization mass spectrometry (GC/EI-MS) of N,N-dialkylaminoethyl-2-chlorides (DAAECls) and trimethylsilyl (TMS) derivatives of N,N-dialkylaminoethan-2-ols (DAAEAs) has been carried out. GC/EI-MS data of these compounds are of importance for verification of the Chemical Weapons Convention (CWC). Based on these EI mass spectra, generalized fragmentation routes are proposed that rationalize most of the characteristic ions.

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Cited by 5 publications

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Current literature in mass spectrometry

2007

J. Mass Spectrom.

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In order to keep subscribers up‐to‐date with the latest developments in their field, John Wiley & Sons are providing a current awareness service in each issue of the journal. The bibliography contains newly published material in the field of mass spectrometry. Each bibliography is divided into 11 sections: 1 Reviews; 2 Instrumental Techniques & Methods; 3 Gas Phase Ion Chemistry; 4 Biology/Biochemistry: Amino Acids, Peptides & Proteins; Carbohydrates; Lipids; Nucleic Acids; 5 Pharmacology/Toxicology; 6 Natural Products; 7 Analysis of Organic Compounds; 8 Analysis of Inorganics/Organometallics; 9 Surface Analysis; 10 Environmental Analysis; 11 Elemental Analysis. Within each section, articles are listed in alphabetical order with respect to author (6 Weeks journals ‐ Search completed at 15th. Nov. 2006)

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Current literature in mass spectrometry

2007

J. Mass Spectrom.

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Mass spectrometric study of selected precursors and degradation products of chemical warfare agents

et al. 2007

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Selected precursors and degradation products of chemical warfare agents namely N,N-dialkylaminoethane-2-ols, N,N-dialkylaminoethyl-2-chlorides and some of related N-quaternary salts were studied by means of electrospray ionization-multiple tandem mass spectrometry (ESI-MS(n)). Proposed structures were confirmed with accurate mass measurement. General fragmentation patterns of these compounds are discussed in detail and suggested processes are confirmed using deuterated standards. The typical processes are elimination of alkene, hydrogen chloride, or water, respectively. Besides, elimination of ethene from propyl chain under specific conditions was observed and unambiguously confirmed using exact mass measurement and labelled standard. The potential of mass spectrometry to distinguish the positional isomers occurring among the studied compounds is reviewed in detail using two different MS instruments (i.e. ion trap and hybrid quadrupole-time of flight (Q-TOF) analyzer). A new microcolumn liquid chromatography (microLC)/MS(n) method was designed for the cases where the resolution based solely on differences in fragmentation is not sufficient. Low retention of the derivatives on reversed phase (RP) was overcome by using addition of less typical ion pairing agent (1 mM/l, 3,5-dinitrobenzoic acid) to the mobile phase (mixture water : acetonitrile).

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Mass spectral analysis of N‐oxides of Chemical Weapons Convention related aminoethanols under electrospray ionization conditions

Sridhar

Karthikraj

Murty

et al. 2011

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N,N'-Dialkylaminoethanols are the hydrolyzed products or precursors of chemical warfare agents such as V-agents and nitrogen mustards, and they are prone to undergo oxidation in environmental matrices or during decontamination processes. Consequently, screening of the oxidized products of aminoethanols in aqueous samples is an important task in the verification of chemical weapons convention-related chemicals. Here we report the successful characterization of the N-oxides of N,N'-dialkylaminoethanols, alkyl diethanolamines, and triethanolamine using positive ion electrospray ionization mass spectrometry. The collision-induced dissociation (CID) spectra of the [M+H](+) and [M+Na](+) ions show diagnostic product ions that enable the unambiguous identification of the studied N-oxides, including those of isomeric compounds. The proposed fragmentation pathways are supported by high-resolution mass spectrometry data and product/precursor ion spectra. The CID spectra of [M+H](+) ions included [MH-CH(4)O(2)](+) as the key product ion, in addition to a distinctive alkene loss that allowed us to recognize the alkyl group attached to the nitrogen. The [M+Na](+) ions show characteristic product ions due to the loss of groups (R) attached to nitrogen either as a radical (R) or as a molecule [R+H or (R-H)] after hydrogen migration.

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Gas chromatography/mass spectrometric analysis of N,N‐dialkylaminoethyl‐2‐chlorides and trimethylsilyl derivatives of N,N‐dialkylaminoethan‐2‐ols for verification of the Chemical Weapons Convention

Cited by 5 publications

References 16 publications

Current literature in mass spectrometry

Current literature in mass spectrometry

Mass spectrometric study of selected precursors and degradation products of chemical warfare agents

Mass spectral analysis of N‐oxides of Chemical Weapons Convention related aminoethanols under electrospray ionization conditions

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