Large-Scale interlaboratory DI-FT-ICR MS comparability study employing various systems

Sara Forcisi; Franco Moritz; Christopher J. Thompson; Basem Kanawati; Jenny Uhl; Carlos Afonso; Chantal D. Bader; Aiko Barsch; Berin A. Boughton; Rosalie K. Chu; Justine Ferey; Francisco Fernandez-Lima; Céline Guéguen; Dimitri Heintz; Mario Gomez-Hernandez; Kyoung-Soon Jang; Nikolas Kessler; Vaughn Mangal; Rolf Müller; Edith Nicol; Ryo Nakabayashi; Simone Nicolardi; Magnus Palmblad; Ljiljana Paša-Tolić; Jacob Porter; Isabelle Schmitz-Afonso; Jong Bok Seo; Eduardo Sommella; Yuri E. M. van der Burgt; Claire Villette; Matthias Witt; Ashley Wittrig; Jeremy J. Wolff; Michael L. Easterling; Frank H. Laukien; Philippe Schmitt-Kopplin

doi:10.1021/jasms.2c00082

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Large-Scale interlaboratory DI-FT-ICR MS comparability study employing various systems

Journal article

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Large-Scale interlaboratory DI-FT-ICR MS comparability study employing various systems

Sara Forcisi, Franco Moritz, Christopher J. Thompson, Basem Kanawati, Jenny Uhl, Carlos Afonso, Chantal D. Bader, Aiko Barsch, Berin A. Boughton, Rosalie K. Chu, …

Journal of the American Society for Mass Spectrometry, Vol.33(12), pp.2203-2214

2022

DOI: https://doi.org/10.1021/jasms.2c00082

PMID: 36371691

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Abstract

Ultrahigh resolution mass spectrometry (UHR-MS) coupled with direct infusion (DI) electrospray ionization offers a fast solution for accurate untargeted profiling. Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers have been shown to produce a wealth of insights into complex chemical systems because they enable unambiguous molecular formula assignment even if the vast majority of signals is of unknown identity. Interlaboratory comparisons are required to apply this type of instrumentation in quality control (for food industry or pharmaceuticals), large-scale environmental studies, or clinical diagnostics. Extended comparisons employing different FT-ICR MS instruments with qualitative direct infusion analysis are scarce since the majority of detected compounds cannot be quantified. The extent to which observations can be reproduced by different laboratories remains unknown. We set up a preliminary study which encompassed a set of 17 laboratories around the globe, diverse in instrumental characteristics and applications, to analyze the same sets of extracts from commercially available standard human blood plasma and Standard Reference Material (SRM) for blood plasma (SRM1950), which were delivered at different dilutions or spiked with different concentrations of pesticides. The aim of this study was to assess the extent to which the outputs of differently tuned FT-ICR mass spectrometers, with different technical specifications, are comparable for setting the frames of a future DI-FT-ICR MS ring trial. We concluded that a cluster of five laboratories, with diverse instrumental characteristics, showed comparable and representative performance across all experiments, setting a reference to be used in a future ring trial on blood plasma.

Details

Title: Large-Scale interlaboratory DI-FT-ICR MS comparability study employing various systems
Authors/Creators: Sara Forcisi - Helmholtz Zentrum München
Franco Moritz - Helmholtz Zentrum München
Christopher J. Thompson - Bruker (United States)
Basem Kanawati - Helmholtz Zentrum München
Jenny Uhl - Helmholtz Zentrum München
Carlos Afonso - Institut National des Sciences Appliquées Rouen Normandie
Chantal D. Bader - Helmholtz Institute for Pharmaceutical Research Saarland
Aiko Barsch - Knorr-Bremse (Germany)
Berin A. Boughton - Murdoch University, Centre for Computational and Systems Medicine
Rosalie K. Chu - Environmental Molecular Sciences Laboratory
Justine Ferey - Institut National des Sciences Appliquées Rouen Normandie
Francisco Fernandez-Lima - Florida International University
Céline Guéguen - Trent University
Dimitri Heintz - Institut de Biologie Moléculaire des Plantes
Mario Gomez-Hernandez - Florida International University
Kyoung-Soon Jang - Korea Basic Science Institute
Nikolas Kessler - Knorr-Bremse (Germany)
Vaughn Mangal - Trent University
Rolf Müller - Helmholtz Institute for Pharmaceutical Research Saarland
Edith Nicol - Institut Polytechnique de Paris
Ryo Nakabayashi - RIKEN Center for Sustainable Resource Science
Simone Nicolardi - Leiden University Medical Center
Magnus Palmblad - Leiden University Medical Center
Ljiljana Paša-Tolić - Environmental Molecular Sciences Laboratory
Jacob Porter - Florida International University
Isabelle Schmitz-Afonso - Institut National des Sciences Appliquées Rouen Normandie
Jong Bok Seo - Korea Basic Science Institute
Eduardo Sommella - University of Salerno
Yuri E. M. van der Burgt - Leiden University Medical Center
Claire Villette - Institut de Biologie Moléculaire des Plantes
Matthias Witt
Ashley Wittrig - ExxonMobil (United States)
Jeremy J. Wolff - Bruker (United States)
Michael L. Easterling - Bruker (United States)
Frank H. Laukien - Bruker (United States)
Philippe Schmitt-Kopplin - Helmholtz Zentrum München
Publication Details: Journal of the American Society for Mass Spectrometry, Vol.33(12), pp.2203-2214
Publisher: American Chemical Society
Identifiers: 991005585961607891
Murdoch Affiliation: Australian National Phenome Centre; Centre for Computational and Systems Medicine
Language: English
Resource Type: Journal article

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Collaboration types: Industry collaboration; Domestic collaboration; International collaboration
Citation topics: 2 Chemistry; 2.211 Mass Spectrometry; 2.211.990 Metabolomics
Web Of Science research areas: Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy
ESI research areas: Chemistry