Updated Guidance for Communicating PFAS Identification Confidence with Ion Mobility Spectrometry.

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Tác giả: Erin S Baker, Anna K Boatman, Jessie R Chappel, Jonathon F Fleming, Kaylie I Kirkwood-Donelson, Julia E Rager, David M Reif, Emma L Schymanski

Ngôn ngữ: eng

Ký hiệu phân loại: 979.704 Statehood period, 1889-

Thông tin xuất bản: United States : bioRxiv : the preprint server for biology , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 523465

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.
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