Title

Analysis Of Triacetone Triperoxide (Tatp) And Tatp Synthetic Intermediates By Electrospray Ionization Mass Spectrometry

Abstract

The explosive triacetone triperoxide (TATP) has been analyzed by electrospray ionization mass spectrometry (ESI-MS) on a linear quadrupole instrument, giving a 62.5 ng limit of detection in full scan positive ion mode. In the ESI interface with no applied fragmenter voltage the m/z 245 [TATP + Na]+ ion was observed along with m/z 215 [TATP + Na - C 2H6]+ and 81 [(CH3)2CO + Na]+. When TATP was ionized by ESI with an applied fragmenter voltage of 75 V, ions at m/z 141 [C4H6O4 + Na] + and 172 [C5H9O5 + Na]+ were also observed. When the precipitates formed in the synthesis of TATP were analyzed before the reaction was complete, a new series of ions was observed in which the ions were separated by 74 m/z units, with ions occurring at m/z 205, 279, 353, 427, 501, 575, 649 and 723. The series of evenly spaced ions is accounted for as oligomeric acetone carbonyl oxides terminated as hydroperoxides, [HOOC(CH3)2{OOC(CH3) 2}nOOH + Na]+ (n = 1, 2...8). The ESI-MS spectra for this homologous series of oligoperoxides have previously been observed from the ozonolysis of tetramethylethylene at low temperatures. Precipitates from the incomplete reaction mixture, under an applied fragmenter voltage of 100 V in ESI, produced an additional ion observed at m/z 99 [C 2H4O3 + Na]+, and a set of ions separated by 74 m/z units occurring at m/z 173, 247, 321, 395, 469 and 543, proposed to correspond to [CH3CO{OOC(CH3) 2}n OOH + Na]+ (n = 1,2...5). Support for the assigned structures was obtained through the analysis of both protiated and perdeuterated TATP samples. Copyright © 2007 John Wiley & Sons, Ltd.

Publication Date

2-1-2008

Publication Title

Rapid Communications in Mass Spectrometry

Volume

22

Issue

2

Number of Pages

84-90

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1002/rcm.3335

Socpus ID

38549125022 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/38549125022

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