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Interlaboratory Coverage Test on Plant Food Bioactive Compounds and Their Metabolites by Mass Spectrometry-Based Untargeted Metabolomics

Institute of Public Health and Clinical Nutrition, University of Eastern Finland, P.O. Box 1627, FI-70211 Kuopio, Finland
Instituto de Tecnologia Química e Biológica, Universidade Nova de Lisboa (ITQB NOVA), Av. da República, 2780-157 Oeiras, Portugal
Alkalmazott Kemia Tsz, Elelmiszertudomanyi Kar, Szent István Egyetem, 29-43 Villanyi Street, 1118 Budapest, Hungary
INRA, Human Nutrition Unit, Université Clermont Auvergne, F63000 Clermont-Ferrand, France
Department of Food Science and Technology, CEBAS-CSIC, Campus Universitario de Espinardo, edf 25, 30100 Murcia, Spain
Division of Food and Nutrition Science, Department of Biology and Biological Engineering, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden
Department of Metabolism and Nutrition, Institute of Food Science, Technology and Nutrition (ICTAN-CSIC), Jose Antonio Novais 10, 28040 Madrid, Spain
Technology and Food Science Department, Flanders Research Institute for Agriculture Fisheries and Food (ILVO), Brusselsesteenweg 370, B-9090 Melle, Belgium
Laboratory of Biotransformation, Institute of Microbiology of the CAS, Vídeňská 1083, CZ-142 20 Prague, Czechia
Institute of Animal Reproduction and Food Research of the Polish Academy of Sciences, Tuwima 10, 10-748 Olsztyn, Poland
Department of Nutrition, Food Science and Gastronomy, Pharmacy Faculty, University of Barcelona, Av Joan XXIII, s/n, 08028 Barcelona, Spain
CIBER Fragilidad y Envejecimiento Saludable (CIBERfes), Instituto de Salud Carlos III, 08028 Barcelona, Spain
VTT Technical Research Centre of Finland Ltd., P.O. Box 1000, FI-02044 VTT, Espoo, Finland
Instituto de Biologia Experimental Tecnológica (iBET), Av. da República, 2780-157 Oeiras, Portugal
Research Institute for Medicines (iMed.ULisboa), Faculty of Pharmacy, University of Lisbon (FFULisboa), Avenida Professor Gama Pinto, 1649-003 Lisbon, Portugal
Author to whom correspondence should be addressed.
Metabolites 2018, 8(3), 46;
Received: 26 June 2018 / Revised: 3 August 2018 / Accepted: 23 August 2018 / Published: 24 August 2018
(This article belongs to the Special Issue Plant, Food and Nutritional Metabolomics for Health Enhancement)
Bioactive compounds present in plant-based foods, and their metabolites derived from gut microbiota and endogenous metabolism, represent thousands of chemical structures of potential interest for human nutrition and health. State-of-the-art analytical methodologies, including untargeted metabolomics based on high-resolution mass spectrometry, are required for the profiling of these compounds in complex matrices, including plant food materials and biofluids. The aim of this project was to compare the analytical coverage of untargeted metabolomics methods independently developed and employed in various European platforms. In total, 56 chemical standards representing the most common classes of bioactive compounds spread over a wide chemical space were selected and analyzed by the participating platforms (n = 13) using their preferred untargeted method. The results were used to define analytical criteria for a successful analysis of plant food bioactives. Furthermore, they will serve as a basis for an optimized consensus method. View Full-Text
Keywords: phytochemicals; mass spectrometry; method development phytochemicals; mass spectrometry; method development
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MDPI and ACS Style

Koistinen, V.M.; Bento da Silva, A.; Abrankó, L.; Low, D.; Garcia Villalba, R.; Tomás Barberán, F.; Landberg, R.; Savolainen, O.; Alvarez-Acero, I.; De Pascual-Teresa, S.; Van Poucke, C.; Almeida, C.; Petrásková, L.; Valentová, K.; Durand, S.; Wiczkowski, W.; Szawara-Nowak, D.; González-Domínguez, R.; Llorach, R.; Andrés-Lacueva, C.; Aura, A.-M.; Seppänen-Laakso, T.; Hanhineva, K.; Manach, C.; Bronze, M.R. Interlaboratory Coverage Test on Plant Food Bioactive Compounds and Their Metabolites by Mass Spectrometry-Based Untargeted Metabolomics. Metabolites 2018, 8, 46.

AMA Style

Koistinen VM, Bento da Silva A, Abrankó L, Low D, Garcia Villalba R, Tomás Barberán F, Landberg R, Savolainen O, Alvarez-Acero I, De Pascual-Teresa S, Van Poucke C, Almeida C, Petrásková L, Valentová K, Durand S, Wiczkowski W, Szawara-Nowak D, González-Domínguez R, Llorach R, Andrés-Lacueva C, Aura A-M, Seppänen-Laakso T, Hanhineva K, Manach C, Bronze MR. Interlaboratory Coverage Test on Plant Food Bioactive Compounds and Their Metabolites by Mass Spectrometry-Based Untargeted Metabolomics. Metabolites. 2018; 8(3):46.

Chicago/Turabian Style

Koistinen, Ville M.; Bento da Silva, Andreia; Abrankó, László; Low, Dorrain; Garcia Villalba, Rocio; Tomás Barberán, Francisco; Landberg, Rikard; Savolainen, Otto; Alvarez-Acero, Inmaculada; De Pascual-Teresa, Sonia; Van Poucke, Christof; Almeida, Conceição; Petrásková, Lucie; Valentová, Kateřina; Durand, Stephanie; Wiczkowski, Wiesław; Szawara-Nowak, Dorota; González-Domínguez, Raúl; Llorach, Rafael; Andrés-Lacueva, Cristina; Aura, Anna-Marja; Seppänen-Laakso, Tuulikki; Hanhineva, Kati; Manach, Claudine; Bronze, Maria R. 2018. "Interlaboratory Coverage Test on Plant Food Bioactive Compounds and Their Metabolites by Mass Spectrometry-Based Untargeted Metabolomics" Metabolites 8, no. 3: 46.

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