FluoroMatch IM: An Interactive Software for PFAS Analysis by Ion Mobility Spectrometry

Per- and polyfluoroalkyl substances (PFASs) are often present in complex mixtures at trace levels in environmental samples, posing difficulties for analytical chemists. Ion mobility offers highly replicable identifiers, enabling the use of community-based libraries for PFAS annotation in nontargeted...

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Bibliographic Details
Main Author:	Rachel Smolinski (19500923) (author)
Other Authors:	Jeremy P. Koelmel (4635448) (author), Paul Stelben (20458893) (author), David Weil (20935403) (author), David Godri (17621259) (author), David Schiessel (17621269) (author), Michael Kummer (17048665) (author), Sarah M. Stow (1317921) (author), Sheher Mohsin (20935406) (author), Lauren Royer (19231585) (author), Alan McKenzie-Coe (20935409) (author), Thomas Lubinsky (20935412) (author), Daniel DeBord (10326810) (author), Olivier Chevallier (5200709) (author), Emma E. Rennie (2324062) (author), Krystal J. Godri Pollitt (3877819) (author), Carrie McDonough (17786151) (author)
Published:	2025
Subjects:	Biochemistry Cell Biology Inorganic Chemistry Space Science Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified standard mix showed resolution mass spectrometry mass defect filtering homologous series detection false positive rate limited software exists 194 pfas ions accurate mass matching real wastewater samples wastewater samples interactive software pfas annotation pfas analysis environmental samples trace levels targeted approach targeted annotations study demonstrates source tool rapid annotation prepared mixture posing difficulties polyfluoroalkyl substances often present nontargeted analysis neutral open n </ free vendor formula prediction features included continuously expanded complex mixtures based libraries analytical chemists
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FluoroMatch IM: An Interactive Software for PFAS Analysis by Ion Mobility Spectrometry

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