Presentation Profile
Summary of Non-Targeted Workflow for Testing Environmental Samples for Over 10,000 PFAS Compounds at Once
Currently Scheduled: 10/11/2023 - 2:45 PM - 3:30 PM
Room: Floral Hall A1
Main Author
Toby Astill - Thermo Fisher
Abstract:
Overview of an integrated non-targeted PFAS analysis workflow coupling molecular networks and conventional techniques.​ Unlike traditional targets where reference standards are available, less than 200 PFAS standards exist for the more than 10,000 known PFAS, underscoring the need for a non-targeted workflow. Conventional non-targeted PFAS analysis workflows rely on signature fragments, homologous series with progressive retention times (RT) tied to chain length, a negative mass defect (MD), and Kendrick MD. These approaches are individually successful at identifying PFAS, but merging them requires expert knowledge. Here we describe the coupling of molecular networking with conventional and novel PFAS analysis techniques in an integrated workflow. Leveraging negative mode data for landfill waste extracts was acquired in Full MS dd-MS2 on a Thermo Scientific™ Q Exactive™ Plus. Data was analyzed via the PFAS Unknown ID w Database Searches and Molecular Networks workflow in Thermo Scientific™ Compound Discoverer™ software.​
