Mass Spectrometry in Authentication and Forensic Approaches for Determining the Origin of Hazardous Chemicals

Identification of a chemical agent yields insights into its physicochemical properties. By examining the intrinsic characteristics and environment of a compound, information about its history can be gathered. The main objective of authentication/forensic approaches to chemicals is to trace the history of the compound's origin, regardless of its nature (e.g., environmental pollutants, drugs, or toxicants). This review presents several scientific fields that share a common objective: using mass spectrometry (MS) to obtain source information from diverse samples and chemicals. From targeted analysis to the full screening of non-targeted chemical space, direct and coupled MS approaches provide powerful capabilities for addressing source-determination concerns, as described in this review. Novel sampling and ionization methods have proven to have a significant impact on expanding MS applications across diverse sample types. This review covers the main methods for determining chemical origins, ranging from targeted confirmation of known compounds to non-targeted identification of unknown compounds under challenging experimental and matrix-related conditions.