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Characterization of cyclotrimethylenetrinitramine (RDX) by pyrolysis H 2 O/D 2 O atmospheric‐pressure chemical ionization tandem mass spectrometry
Author(s) -
Snyder A. Peter,
Liebman Shirley A.,
Schroeder Michael A.,
Fifer Robert A.
Publication year - 1990
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.1210250113
Subject(s) - atmospheric pressure chemical ionization , chemistry , protonation , mass spectrometry , deuterium , analytical chemistry (journal) , amide , chemical ionization , tandem mass spectrometry , pyrolysis , amine gas treating , ion , ionization , organic chemistry , chromatography , physics , quantum mechanics
The oxidative pyrolysis‐atmospheric‐pressure chemical ionization tandem mass Spectrometry (Py‐APCI MS/MS) of Cyclotrimethylenetrinitramine (RDX) was investigated under various sample introduction conditions. Subambient (0.97 atm) as opposed to ambient (0.98 atm) pressure (1 atm = 101325 kPa) facilitated the appearance of new pyrolysis mass spectral ions, including m/z 44. Deuterated decomposition products from [ 2 H]RDX contained amide groups and, depending on the ion source pressure, significant differences in the degree of proton‐deuterium exchange occurred on the amide groups. The D 2 O Py‐APCI MS/MS method also confirmed and extended the analogous H 2 O APCI information from RDX, [ 2 H]RDX and pure standards. The m/z 44 decompositon species was identified as protonated dimethylimine, [H 3 CNCH 2 ] + as opposed to its primary amine isomer, [H 3 CC(H)NH]H + , which contains an acidic proton. It was determined that m/z 60 is due to protonated N ‐methylformamide and acetaldoxime, [H 3 CC(H)NOH]H + .