BP4NTA members Christine M. Fisher, Katherine T. Peter, Seth R. Newton, Andrew J. Schaub, and Jon R. Sobus recently published an article titled “Approaches for assessing performance of high-resolution mass spectrometry-based non-targeted analysis methods” in the journal Analytical and Bioanalytical Chemistry. Although NTA methods using HRMS yield valuable and rich datasets, it is challenging to assess overall performance of these methods given that the goals and approaches vary greatly between studies. This article begins to tackle this challenge by describing existing options for assessing overall NTA method performance for three types of results that can be used in stakeholder decision making: classified samples, identified chemicals, and quantified chemical concentrations. In each case, important caveats, gaps, and areas for improvement are highlighted. The authors intend this article as a starting point for continued development of harmonized NTA performance assessments and hope the discussion motivates fellow researchers to address identified gaps. The article is available (open-access) for all interested readers at this link!
Citation: Fisher, C.M., Peter, K.T., Newton, S.R., Schaub, A.J., Sobus, J.R. Approaches for assessing performance of high-resolution mass spectrometry–based non-targeted analysis methods. Anal Bioanal Chem (2022). https://doi.org/10.1007/s00216-022-04203-3