Mass Spectral and Chemometric Analysis for the Detection and Identification of Forensically Relevant Materials

This dissertation demonstrates that novel methods including direct analysis in real time–high-resolution mass spectrometry (DART-HRMS), thermal desorption coupled with gas chromatography-mass spectrometry (TDGC-MS), solid-phase microextraction (SPME) and multivariate statistical analysis can be used separately or in combination to aid in the recognition and classification of a range of forensically relevant materials. First, a survey of some of the most common traditional techniques for the analysis of forensic materials is presented in Chapter 1 along with an introduction to more recently developed techniques that are the subject of this research. SPME-facilitated DART-HRMS in combination with multivariate statistical analysis and TD-GC-MS was used to identify novel psychoactive substances (NPSs) (Chapter 2) and plant-based legal highs (Chapter 3). In Chapter 4, direct sample analysis by DART-HRMS was used to quantify psychoactive material in plant-based legal highs and in Chapter 5 the same method was used to achieve species-level identification of endangered species of macaws. This research shows how new approaches can be used to facilitate the detection and identification of a range of forensically relevant molecules and materials in a manner that enhances their evidentiary value.