Approaches for assessing performance of high-resolution mass spectrometry-based non-targeted analysis methods.

ABSTRACT: Non-targeted analysis (NTA) using high-resolution mass spectrometry has enabled the detection and identification of unknown and unexpected compounds of interest in a wide range of sample matrices. Despite these benefits of NTA methods, standardized procedures do not yet exist for assessing performance, limiting stakeholders' abilities to suitably interpret and utilize NTA results. Herein, we first summarize existing performance assessment metrics for targeted analyses to provide context and clarify terminology that may be shared between targeted and NTA methods (e.g., terms such as accuracy, precision, sensitivity, and selectivity). We then discuss promising approaches for assessing NTA method performance, listing strengths and key caveats for each approach, and highlighting areas in need

SUBMITTER: Fisher CM 

PROVIDER: S-EPMC9411239 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature