[en] Over the last decade, global contamination from per- and polyfluoroalkyl substances (PFAS) has become apparent due to their detection in countless matrices worldwide, from consumer products to human blood to drinking water. As researchers implement non-targeted analyses (NTA) to more fully understand the PFAS present in the environment and human bodies, clear guidance is needed for consistent and objective reporting of the identified molecules. While confidence levels for small molecules analyzed and identified with high-resolution mass spectrometry (HRMS) have existed since 2014, unification and automation of these levels is needed due to inconsistencies in reporting and continuing innovations in analytical methods. Here, we (i) investigate current practices for confidence level reporting of PFAS identified with liquid chromatography (LC), gas chromatography (GC), and/or ion mobility spectrometry (IMS) coupled with high resolution mass spectrometry (HRMS) and (ii) propose a simple, unified confidence level guidance that incorporates both PFAS-specific attributes and IMS collision cross section (CCS) values.SynopsisUnified and simplified requirements guide confidence level assignment in non-targeted PFAS identification efforts with ion mobility spectrometry.
Funding for this work was made possible through grants from the NIH National Institute of
Environmental Health Sciences (P42 ES027704, P42ES031007, and T32ES007126), a
cooperative agreement with the Environmental Protection Agency (STAR RD 84003201), and
support was additionally provided through the Institute for Environmental Health Solutions at the
University of North Carolina Gillings School of Global Public Health. ELS acknowledges funding
support from the Luxembourg National Research Fund (FNR) for project A18/BM/12341006.
