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Characterization of cyclotrimethylenetrinitramine (RDX) by N,H isotope analyses with pyrolysis–atmospheric pressure ionization tandem mass spectrometry
Author(s) -
Snyder A. Peter,
Kremer Johannes H.,
Liebman Shirley A.,
Schroeder Michael A.,
Fifer Robert A.
Publication year - 1989
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210240104
Subject(s) - mass spectrum , mass spectrometry , analytical chemistry (journal) , chemistry , pyrolysis , atmospheric pressure chemical ionization , formamide , tandem mass spectrometry , protonation , ion , thermal ionization mass spectrometry , thermal decomposition , atmospheric pressure , isotope , chemical ionization , ion source , ionization , chromatography , organic chemistry , physics , quantum mechanics , oceanography , geology
Pyrolysis‐atmospheric pressure chemical ionization was used to study the thermal decomposition of the energetic material cyclotrimethylenetrinitramine (RDX) and characterization of the individual molecular ion products was accomplished by tandem mass spectrometry. The analysis was aided with pyrolysis mass spectra of the ( 15 N)‐ and perdeuterated RDX isotopes, and molecular formulae were derived for the m / z 46, 60, 74, 75, 85 and 98 molecular ions in the RDX pyrolysis mass spectrum. Equivalent fragments between the daughter ion mass spectra of the unlabeled and labeled RDX were determined in order to define a structure for each pyrolysis feature. Daughter ion mass spectra of pure reference compounds confirmed the identity of five of the six molecular ions. Perdeuterated RDX analyses provided evidence that m / z 74 and 75 are N , N ‐dimethylformamide and N ‐nitrosodimethylamine, respectively; m / z 46, 60 and 85 were identified as the protonated forms of formamide, N ‐methylformamide and dimethylaminoacetonitrile, respectively.