Detection of Triacetone Triperoxide by High Kinetic Energy Ion Mobility Spectrometry

High Kinetic Energy Ion Mobility Spectrometry (HiKE-IMS) is a versatile technique for the detection of gaseous target molecules that is particularly useful in complex chemical environments, while the instrumental effort is low. Operating HiKE-IMS at reduced pressures from 10 to 60 mbar results in fewer ion-neutral collisions than at ambient pressure, reducing chemical cross-sensitivities and eliminating the need for a preceding separation dimension, e.g., by gas chromatography. In addition, HiKE-IMS allows operation over a wide range of reduced electric field strengths E/N up to 120 Td, allowing separation of ions by low-field ion mobility and exploiting the field dependence of ion mobility, potentially allowing separation of ion species at high E/N despite similar low-field ion mobilities. Given these advantages, HiKE-IMS can be a useful tool for trace gas analysis such as triacetone triperoxide (TATP) detection. In this study, we employed HiKE-IMS to detect TATP. We explore the ionization of TATP and the field-dependent ion mobilities, providing a database of the ion mobilities depending on E/N. Confirming the literature results, ionization of TATP by proton transfer with H3O+ in HiKE-IMS generates fragments, but using NH4+ as the primary reactant ion leads to the TATPNH4+ adduct. This adduct fragments at high E/N, which could provide additional information for reliable detection of TATP. Thus, operating HiKE-IMS at variable E/N in the drift region generates a unique fingerprint of TATP made of all ion species related to TATP and their ion mobilities depending on E/N, potentially reducing the rate of false positives.

Automated summary

High Kinetic Energy Ion Mobility Spectrometry (HiKE-IMS) is a versatile technique that can be used for the detection of gaseous target molecules in complex chemical environments. It operates at reduced pressures to minimize chemical cross-sensitivities and does not require a preceding separation dimension. HiKE-IMS can separate ions based on their low-field ion mobility at a wide range of electric field strengths, potentially allowing the detection of similar ion species at high electric field strengths. In this study, HiKE-IMS was employed to detect triacetone triperoxide (TATP) and explore its ionization and field-dependent ion mobilities.