Capillary Electrophoresis-Mass Spectrometry at Trial by Metabo-Ring: Effective Electrophoretic Mobility for Reproducible and Robust Compound Annotation

Article Article scientifique Article Capillary Electrophoresis-Mass Spectrometry at Trial by Metabo-Ring: Effective Electrophoretic Mobility for Reproducible and Robust Compound Annotation ger 2020 author Drouin Nicolas 808691 author van Mever Marlien author Zhang Wei 942403 author Tobolkina Elena 916747 author Ferre Sabrina 0000-0002-1379-3025 893925 Sabrina Myriam Ferre author Servais Anne-Catherine author Gou Marie-Jia author Nyssen Laurent author Fillet Marianne author Lageveen-Kammeijer Guinevere S.M. author Nouta Jan author Chetwynd Andrew J. author Lynch Iseult author Thorn James A. author Meixner Jens author Lößner Christopher author Taverna Myriam author Liu Sylvie author Tran N. Thuy author Francois Yannis author Lechner Antony author Nehmé Reine author Al Hamoui Dit Banni Ghassan author Nasreddine Rouba author Colas Cyril author Lindner Herbert H. author Faserl Klaus author Neusüß Christian author Nelke Manuel author Lämmerer Stefan author Perrin Catherine author Bich-Muracciole Claudia author Barbas Coral author Gonzálvez Ángeles López author Guttman Andras author Szigeti Marton author Britz-McKibbin Philip author Kroezen Zachary author Shanmuganathan Meera author Nemes Peter author Portero Erika P. author Hankemeier Thomas author Codesido Sanchez Santiago 812906 author Gonzalez Ruiz Victor 831974 author Rudaz Serge 0000-0002-4180-5417 28978 author Ramautar Rawi 14103-14112 10.1021/acs.analchem.0c03129 32961048 0003-2700 Capillary zone electrophoresis-mass spectrometry (CE-MS) is a mature analytical tool for the efficient profiling of (highly) polar and ionizable compounds. However, the use of CE-MS in comparison to other separation techniques remains underrepresented in metabolomics, as this analytical approach is still perceived as technically challenging and less reproducible, notably for migration time. The latter is key for a reliable comparison of metabolic profiles and for unknown biomarker identification that is complementary to high resolution MS/MS. In this work, we present the results of a Metabo-ring trial involving 16 CE-MS platforms among 13 different laboratories spanning two continents. The goal was to assess the reproducibility and identification capability of CE-MS by employing effective electrophoretic mobility (μeff) as the key parameter in comparison to the relative migration time (RMT) approach. For this purpose, a representative cationic metabolite mixture in water, pretreated human plasma, and urine samples spiked with the same metabolite mixture were used and distributed for analysis by all laboratories. The μeff was determined for all metabolites spiked into each sample. The background electrolyte (BGE) was prepared and employed by each participating lab following the same protocol. All other parameters (capillary, interface, injection volume, voltage ramp, temperature, capillary conditioning, and rinsing procedure, etc.) were left to the discretion of the contributing laboratories. The results revealed that the reproducibility of the μeff for 20 out of the 21 model compounds was below 3.1% vs 10.9% for RMT, regardless of the huge heterogeneity in experimental conditions and platforms across the 13 laboratories. Overall, this Metabo-ring trial demonstrated that CE-MS is a viable and reproducible approach for metabolomics. Interfaces Metabolomics Genetics Metabolism Computational chemistry Dewey 615 31 Section des sciences pharmaceutiques 17 false 881 Sciences analytiques Analytical Chemistry 92 20 ab055a1b-8244-46fe-a4e6-0d41983a6593 Article (Published version) Public acs.analchem.0c03129.pdf 1718682 application/pdf CC BY-NC-ND openAccess Faculté des sciences / Section des sciences pharmaceutiques

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Capillary Electrophoresis-Mass Spectrometry at Trial by Metabo-Ring: Effective Electrophoretic Mobility for Reproducible and Robust Compound Annotation	Analytical Chemistry			2020	375	353

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