Influence of gas modifiers on the TIMS analysis of familiar explosives
In the present work, we studied the influence of the bath composition (e.g., organic modifiers) on the mobility resolving power, resolution, and lifetime of familiar explosives during trapped ion mobility spectrometry (TIMS). Experimental results showed the dependence of the mobility with the organic modifiers (mass and size) for the case of TIMS-MS. Different from trends observed in drift tube like IMS devices, no correlation between the mobility resolving power and resolution in TIMS was observed with the bath gas composition (e.g., air, air + methanol, air +2-propanol, and air + acetone). Time decay plots showed that common explosives with adduct complexes signal decrease over time as a function of the trapping time, without any significant improvement with the addition of the organic modifiers. Theoretical calculation of potential clustering and dissociation pathways supported the time decay findings since no major energetic differences between the pathways were observed as a function of the organic modifiers. Our findings suggest that beside the size of the collision partner, there are specific intermolecular dynamics that drive the trapping behavior of familiar explosives.
KeywordsTrapped ion mobility mass spectrometry Common explosives Organic modifiers
This work was supported by the National Science Foundation Division of Chemistry, under CAREER award CHE-1654274, with co-funding from the Division of Molecular and Cellular Biosciences to F.F.-L. The authors will also like to acknowledge the helpful discussions and technical support from Dr. Mark E. Ridgeway and Dr. Melvin A. Park from Bruker Daltonics Inc. during the development and installation of the custom-built TIMS-TOF MS instrument. We will also like to acknowledge Dr. Alexander Mebel support for the theoretical calculations.
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