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Vijay Tak

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Research paper thumbnail of Electrospray ionization tandem mass spectral analysis of oxidation products of precursors of sulfur mustards

Rapid Communications in Mass Spectrometry, 2006

Electrospray ionization tandem mass spectral (ESI-MS n) analysis of thiodiglycol, bis(2hydroxyeth... more Electrospray ionization tandem mass spectral (ESI-MS n) analysis of thiodiglycol, bis(2hydroxyethylthio)alkanes (BHETAs) and their mono-, di-, tri-, and tetraoxygenated compounds was carried out to obtain their characteristic spectra for ESI-MS analysis. These compounds are important markers of chemical warfare agents, namely sulfur mustards. ESI-MS n (n 3) analysis of a compound by collisionally induced dissociation in an ion trap gives rise to mass spectra that are somewhat similar to electron ionization mass spectra. These ESI-MS n spectra can be used for compound identification. Under ESI-MS and ESI-MS/MS the compounds mostly produced [MRNH 4 ] R , [MRH] R and [MRHSH 2 O] R ions. Fragmentations of these even-electron precursors in the ion trap gave rise to characteristic product ions via neutral loss of O 2 , H 2 O, C 2 H 4 , HCHO, C 2 H 4 O, C 2 H 4 S, HSC 2 H 4 OH and C 2 H 4 SO. Fragmentation routes of these compounds are proposed that rationalize the formation of product ions in ESI-MS n analysis.

Research paper thumbnail of Electrospray ionization tandem mass spectral analysis of oxidation products of precursors of sulfur mustards

Rapid Communications in Mass Spectrometry, 2006

Electrospray ionization tandem mass spectral (ESI-MS n) analysis of thiodiglycol, bis(2hydroxyeth... more Electrospray ionization tandem mass spectral (ESI-MS n) analysis of thiodiglycol, bis(2hydroxyethylthio)alkanes (BHETAs) and their mono-, di-, tri-, and tetraoxygenated compounds was carried out to obtain their characteristic spectra for ESI-MS analysis. These compounds are important markers of chemical warfare agents, namely sulfur mustards. ESI-MS n (n 3) analysis of a compound by collisionally induced dissociation in an ion trap gives rise to mass spectra that are somewhat similar to electron ionization mass spectra. These ESI-MS n spectra can be used for compound identification. Under ESI-MS and ESI-MS/MS the compounds mostly produced [MRNH 4 ] R , [MRH] R and [MRHSH 2 O] R ions. Fragmentations of these even-electron precursors in the ion trap gave rise to characteristic product ions via neutral loss of O 2 , H 2 O, C 2 H 4 , HCHO, C 2 H 4 O, C 2 H 4 S, HSC 2 H 4 OH and C 2 H 4 SO. Fragmentation routes of these compounds are proposed that rationalize the formation of product ions in ESI-MS n analysis.

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