FN Archimer Export Format PT J TI What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS BT AF Dürig, Wiebke Lindblad, Sofia Golovko, Oksana Gkotsis, Georgios Aalizadeh, Reza Nika, Maria-Christina Thomaidis, Nikolaos Alygizakis, Nikiforos A. Plassmann, Merle Haglund, Peter Fu, Qiuguo Hollender, Juliane Chaker, Jade David, Arthur Kunkel, Uwe Macherius, André Belova, Lidia Poma, Giulia Preud'Homme, Hugues Munschy, Catherine Aminot, Yann Jaeger, Carsten Lisec, Jan Hansen, Martin Vorkamp, Katrin Zhu, Linyan Cappelli, Francesca Roscioli, Claudio Valsecchi, Sara Bagnati, Renzo González, Belén Prieto, Ailette Zuloaga, Olatz Gil-Solsona, Ruben Gago-Ferrero, Pablo Rodriguez-Mozaz, Sara Budzinski, Hélène Devier, Marie-Helene Dierkes, Georg Boulard, Lise Jacobs, Griet Voorspoels, Stefan Rüdel, Heinz Ahrens, Lutz AS 1:1;2:1;3:1;4:2;5:2;6:2;7:2;8:2,3;9:4;10:5;11:6,7;12:6,8;13:9;14:9;15:10;16:10;17:11;18:11;19:12;20:13;21:13;22:14;23:14;24:15;25:15;26:15;27:16;28:16;29:16;30:17;31:18,19;32:18,19;33:18,19;34:20,21,22;35:20,22;36:20,21;37:23;38:23;39:24;40:24,25;41:26;42:26;43:27;44:1; FF 1:;2:;3:;4:;5:;6:;7:;8:;9:;10:;11:;12:;13:;14:;15:;16:;17:;18:;19:;20:PDG-RBE-CCEM;21:PDG-RBE-CCEM;22:;23:;24:;25:;26:;27:;28:;29:;30:;31:;32:;33:;34:;35:;36:;37:;38:;39:;40:;41:;42:;43:;44:; C1 Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Box 7050, 75007 Uppsala, Sweden Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece Environmental Institute, Okružná 784/42, 97241 Koš, Slovakia Department of Environmental Science, Stockholm University, 10691 Stockholm, Sweden Department of Chemistry, Chemical Biological Centre (KBC), Umeå University, Linnaeus väg 6, 90187 Umeå, Sweden Eawag: Swiss Federal Institute of Aquatic Science and Technology, Überlandstrasse 133, 8600 Dübendorf, Switzerland Helmholtz Centre for Environmental Research - UFZ, Permoserstraße 15, 04318 Leipzig, Germany Institute of Biogeochemistry and Pollutant Dynamics, ETH Zürich, Universitätstrasse 16, 8092 Zürich, Switzerland Université de Rennes, Inserm, EHESP, Irset - UMR_S, 1085 Rennes, France Bavarian Environment Agency, Bürgermeister-Ulrich-Straße 160, 86179 Augsburg, Germany Toxicological Centre, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk, Belgium IPREM-UMR5254, E2S UPPA, CNRS, 2 avenue Angot, 64053 Pau cedex, France Ifremer, CCEM Contamination Chimique des Écosystèmes Marins, 44000, Nantes, France Bundesanstalt für Materialforschung und -prüfung (BAM), Analytical Chemistry, Richard-Willstätter-Straße 11, 12489 Berlin, Germany Department of Environmental Science, Aarhus University, Frederiksborgvej 399, 4000 Roskilde, Denmark Water Research Institute, National Research Council of Italy, Via del Mulino 19, 20861 Brugherio MB, Italy Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via Mario Negri 2, 20156 Milan, Italy Department of Analytical Chemistry, Faculty of Science and Technology, University of the Basque Country (UPV/EHU), Barrio Sarriena s/n, 48940 Leioa, Spain Research Centre for Experimental Marine Biology and Biotechnology (PIE), University of the Basque Country (UPV/EHU), Plentzia, Spain Catalan Institute for Water Research (ICRA), Carrer Emili Grahit 101, 17003 Girona, Spain Universitat de Girona, Girona, Spain Institute of Environmental Assessment and Water Research – Severo Ochoa Excellence Center (IDAEA), Spanish Council of Scientific Research (CSIC), Barcelona 08034, Spain University Bordeaux, CNRS, Bordeaux INP, EPOC, UMR 5805, 33600 Pessac, France Federal Institute of Hydrology, Am Mainzer Tor 1, 56068 Koblenz, Germany Metabolomics Core Facility, Centre de Ressources et Recherches Technologiques (C2RT), Institut Pasteur, 25-28 Rue du Dr Roux, 75015 Paris, France Flemish Institute for Technological Research (VITO), Unit Separation and Conversion Technology, Boeretang 200, 2400 Mol, Belgium Fraunhofer Institute for Molecular Biology and Applied Ecology (Fraunhofer IME), Auf dem Aberg 1, 57392 Schmallenberg, Germany C2 UNIV SWEDISH SLU, SWEDEN UNIV ATHENS, GREECE ENVIRONM INST, SLOVAKIA UNIV STOCKHOLM, SWEDEN UNIV UMEA, SWEDEN EAWAG, SWITZERLAND HELMHOLTZ CTR ENVIRONM RES, GERMANY ETH ZURICH, SWITZERLAND UNIV RENNES, FRANCE BAVARIAN ENVIRONMENT AGENCY, GERMANY UNIV ANTWERP, BELGIUM UNIV PAU & PAYS ADOUR, FRANCE IFREMER, FRANCE BAM, GERMANY UNIV AARHUS, DENMARK CNR, ITALY IRCCS, ITALY UNIV PAIS VASCO EHU, SPAIN UNIV PAIS VASCO EHU, SPAIN ICRA, SPAIN UNIV GIRONA, SPAIN IDAEA CSIC, SPAIN UNIV BORDEAUX, FRANCE FED INST HYDROL, GERMANY INST PASTEUR, FRANCE VITO, BELGIUM FRAUNHOFER IME, GERMANY SI NANTES SE PDG-RBE-CCEM IN WOS Ifremer UPR DOAJ copubli-france copubli-europe copubli-univ-france copubli-int-hors-europe IF 11.8 TC 0 UR https://archimer.ifremer.fr/doc/00858/97018/105711.pdf https://archimer.ifremer.fr/doc/00858/97018/105953.docx https://archimer.ifremer.fr/doc/00858/97018/105954.docx https://archimer.ifremer.fr/doc/00858/97018/105955.xlsx LA English DT Article DE ;Suspect and non-target analysis;Biota;LC-HRMS;GC-HRMS;Collaborative trial;Exposome AB A collaborative trial involving 16 participants from nine European countries was conducted within the NORMAN network in efforts to harmonise suspect and non-target screening of environmental contaminants in whole fish samples of bream (Abramis brama). Participants were provided with freeze-dried, homogenised fish samples from a contaminated and a reference site, extracts (spiked and non-spiked) and reference sample preparation protocols for liquid chromatography (LC) and gas chromatography (GC) coupled to high resolution mass spectrometry (HRMS). Participants extracted fish samples using their in-house sample preparation method and/or the protocol provided. Participants correctly identified 9-69% of spiked compounds using LC-HRMS and 20-60% of spiked compounds using GC-HRMS. From the contaminated site, suspect screening with participants’ own suspect lists led to putative identification of on average ∼145 and ∼20 unique features per participant using LC-HRMS and GC-HRMS, respectively, while non-target screening identified on average ∼42 and ∼56 unique features per participant using LC-HRMS and GC-HRMS, respectively. Within the same sub-group of sample preparation method, only a few features were identified by at least two participants in suspect screening (16 features using LC-HRMS, 0 features using GC-HRMS) and non-target screening (0 features using LC-HRMS, 2 features using GC-HRMS). The compounds identified had log octanol/water partition coefficient (KOW) values ranging from -9.9 to 16 and mass-to-charge ratio (m/z) of 68 to 761 (LC-HRMS and GC-HRMS). A significant linear trend was found between log KOW and m/z for the GC-HRMS data. Overall, these findings indicate that differences in screening results are mainly due to the data analysis workflows used by different participants. Further work is needed to harmonise the results obtained when applying suspect and non-target screening approaches to environmental biota samples. PY 2023 PD NOV SO Environment International SN 0160-4120 PU Elsevier BV VL 181 UT 001107142500001 DI 10.1016/j.envint.2023.108288 ID 97018 ER EF