Lifetimes and stabilities of familiar explosive molecular adduct complexes during ion mobility measurements

Trapped ion mobility spectrometry coupled to mass spectrometry (TIMS-MS) was utilized for the separation and identification of familiar explosives in complex mixtures. For the first time, molecular adduct complex lifetimes, relative stability, binding energies and candidate structures are reported f...

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Bibliographic Details
Published inAnalyst (London) Vol. 140; no. 16; pp. 5692 - 5699
Main Authors McKenzie-Coe, Alan, DeBord, John Daniel, Ridgeway, Mark, Park, Melvin, Eiceman, Gary, Fernandez-Lima, Francisco
Format Journal Article
LanguageEnglish
Published England 21.08.2015
Subjects
Adducts
Confidence intervals
Drug Stability
Explosions
Explosive Agents - analysis
Explosive Agents - chemistry
Explosives
Ion Exchange
Ion mobility
Ionic mobility
Molecular structure
Reproducibility of Results
Stability
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Summary:Trapped ion mobility spectrometry coupled to mass spectrometry (TIMS-MS) was utilized for the separation and identification of familiar explosives in complex mixtures. For the first time, molecular adduct complex lifetimes, relative stability, binding energies and candidate structures are reported for familiar explosives. Experimental and theoretical results showed that the adduct size and reactivity, complex binding energy and the explosive structure tailor the stability of the molecular adduct complex. The flexibility of TIMS to adapt the mobility separation as a function of the molecular adduct complex stability (i.e., short or long IMS experiments/low or high IMS resolution) permits targeted measurements of explosives in complex mixtures with high confidence levels.
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ISSN:0003-2654
1364-5528
DOI:10.1039/c5an00527b