FN Archimer Export Format PT J TI The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry BT AF Mohammed Taha, Hiba Aalizadeh, Reza Alygizakis, Nikiforos Antignac, Jean-Philippe Arp, Hans Peter H. Bade, Richard Baker, Nancy Belova, Lidia Bijlsma, Lubertus Bolton, Evan E. Brack, Werner Celma, Alberto Chen, Wen-Ling Cheng, Tiejun Chirsir, Parviel Čirka, Ľuboš D’Agostino, Lisa A. Djoumbou Feunang, Yannick Dulio, Valeria Fischer, Stellan Gago-Ferrero, Pablo Galani, Aikaterini Geueke, Birgit Głowacka, Natalia Glüge, Juliane Groh, Ksenia Grosse, Sylvia Haglund, Peter Hakkinen, Pertti J. Hale, Sarah E. Hernandez, Felix Janssen, Elisabeth M.-L. Jonkers, Tim Kiefer, Karin Kirchner, Michal Koschorreck, Jan Krauss, Martin Krier, Jessy Lamoree, Marja H. Letzel, Marion Letzel, Thomas Li, Qingliang Little, James Liu, Yanna Lunderberg, David M. Martin, Jonathan W. McEachran, Andrew D. McLean, John A. Meier, Christiane Meijer, Jeroen Menger, Frank Merino, Carla Muncke, Jane Muschket, Matthias Neumann, Michael Neveu, Vanessa Ng, Kelsey Oberacher, Herbert O’Brien, Jake Oswald, Peter Oswaldova, Martina Picache, Jaqueline A. Postigo, Cristina Ramirez, Noelia Reemtsma, Thorsten Renaud, Justin Rostkowski, Pawel Rüdel, Heinz Salek, Reza M. Samanipour, Saer Scheringer, Martin Schliebner, Ivo Schulz, Wolfgang Schulze, Tobias Sengl, Manfred Shoemaker, Benjamin A. Sims, Kerry Singer, Heinz SINGH, Randolph Sumarah, Mark Thiessen, Paul A. Thomas, Kevin V. Torres, Sonia Trier, Xenia van Wezel, Annemarie P. Vermeulen, Roel C. H. Vlaanderen, Jelle J. von der Ohe, Peter C. Wang, Zhanyun Williams, Antony J. Willighagen, Egon L. Wishart, David S. Zhang, Jian Thomaidis, Nikolaos S. Hollender, Juliane Slobodnik, Jaroslav Schymanski, Emma L. AS 1:1;2:2;3:2,3;4:4;5:5,6;6:7;7:8;8:9;9:10;10:11;11:12,13;12:10,14;13:15;14:11;15:1;16:3,16;17:17;18:18;19:19;20:20;21:21;22:2;23:22;24:3;25:23;26:24;27:25;28:26;29:11;30:5;31:10;32:24;33:27;34:24;35:28;36:29;37:12;38:1;39:27;40:30;41:31;42:11;43:32;44:33;45:34,35;46:17;47:36;48:37;49:29;50:38;51:14;52:39,40;53:22;54:12;55:29;56:41;57:3,42;58:43;59:7;60:3;61:3;62:37;63:14,44;64:39,45;65:12;66:;67:46;68:47;69:48;70:41;71:49;72:23,42;73:29;74:12,50;75:30;76:11;77:51;78:24;79:1,52;80:46;81:11;82:7;83:39;84:53;85:54;86:38;87:38;88:29;89:55;90:56;91:57;92:58;93:11;94:2;95:23,24;96:3;97:1; FF 1:;2:;3:;4:;5:;6:;7:;8:;9:;10:;11:;12:;13:;14:;15:;16:;17:;18:;19:;20:;21:;22:;23:;24:;25:;26:;27:;28:;29:;30:;31:;32:;33:;34:;35:;36:;37:;38:;39:;40:;41:;42:;43:;44:;45:;46:;47:;48:;49:;50:;51:;52:;53:;54:;55:;56:;57:;58:;59:;60:;61:;62:;63:;64:;65:;66:;67:;68:;69:;70:;71:;72:;73:;74:;75:;76:;77:;78:;79:PDG-RBE-CCEM;80:;81:;82:;83:;84:;85:;86:;87:;88:;89:;90:;91:;92:;93:;94:;95:;96:;97:; C1 Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, 15771, Athens, Greece Environmental Institute, Okružná 784/42, 972 41, Koš, Slovak Republic Oniris, INRAE, LABERCA, 44307, Nantes, France Norwegian Geotechnical Institute (NGI), Ullevål Stadion, P.O. Box 3930, 0806, Oslo, Norway Department of Chemistry, Norwegian University of Science and Technology (NTNU), 7491, Trondheim, Norway Queensland Alliance for Environmental Health Sciences (QAEHS), The University of Queensland, Woolloongabba, QLD, 4102, Australia Leidos, Research Triangle Park, NC, USA Toxicological Centre, University of Antwerp, Antwerp, Belgium Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castelló, Spain National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Bethesda, MD, 20894, USA UFZ, Helmholtz Centre for Environmental Research, Leipzig, Germany Institute of Ecology, Evolution and Diversity, Goethe University, Frankfurt Am Main, Germany Swedish University of Agricultural Sciences (SLU), Uppsala, Sweden Institute of Food Safety and Health, College of Public Health, National Taiwan University, 17 Xuzhou Rd., Zhongzheng Dist., Taipei, Taiwan Faculty of Chemical and Food Technology, Institute of Information Engineering, Automation, and Mathematics, Slovak University of Technology in Bratislava (STU), Radlinského 9, 812 37, Bratislava, Slovak Republic Science for Life Laboratory, Department of Environmental Science, Stockholm University, 10691, Stockholm, Sweden Corteva Agriscience, Indianapolis, IN, USA INERIS, National Institute for Environment and Industrial Risks, Verneuil en Halatte, France Swedish Chemicals Agency (KEMI), P.O. Box 2, 172 13, Sundbyberg, Sweden Institute of Environmental Assessment and Water Research-Severo Ochoa Excellence Center (IDAEA), Spanish Council of Scientific Research (CSIC), Barcelona, Spain Food Packaging Forum Foundation, Staffelstrasse 10, 8045, Zurich, Switzerland Institute of Biogeochemistry and Pollutant Dynamics, ETH Zurich, 8092, Zurich, Switzerland Eawag, Swiss Federal Institute for Aquatic Science and Technology, Überlandstrasse 133, 8600, Dübendorf, Switzerland Thermo Fisher Scientific, Dornierstrasse 4, 82110, Germering, Germany Department of Chemistry, Chemical Biological Centre (KBC), Umeå University, Linnaeus Väg 6, 901 87, Umeå, Sweden Department Environment and Health, Amsterdam Institute for Life and Environment, Vrije Universiteit, Amsterdam, The Netherlands Water Research Institute (WRI), Nábr. Arm. Gen. L. Svobodu 5, 81249, Bratislava, Slovak Republic German Environment Agency (UBA), Wörlitzer Platz 1, Dessau-Roßlau, Germany Bavarian Environment Agency, 86179, Augsburg, Germany Analytisches Forschungsinstitut Für Non-Target Screening GmbH (AFIN-TS), Am Mittleren Moos 48, 86167, Augsburg, Germany Mass Spec Interpretation Services, 3612 Hemlock Park Drive, Kingsport, TN, 37663, USA State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences (SKLECE, RCEES, CAS), No. 18 Shuangqing Road, Haidian District, Beijing, 100086, China Hope College, Holland, MI, 49422, USA University of California, Berkeley, CA, USA Agilent Technologies, Inc., 5301 Stevens Creek Blvd, Santa Clara, CA, 95051, USA Department of Chemistry, Center for Innovative Technology, Vanderbilt-Ingram Cancer Center, Vanderbilt Institute of Chemical Biology, Vanderbilt Institute for Integrative Biosystems Research and Education, Vanderbilt University, Nashville, TN, 37235, USA Institute for Risk Assessment Sciences (IRAS), Utrecht University, Utrecht, The Netherlands University Rovira i Virgili, Tarragona, Spain Biosfer Teslab, Reus, Spain Nutrition and Metabolism Branch, International Agency for Research On Cancer (IARC), 150 Cours Albert Thomas, 69372, Lyon Cedex 08, France RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno, Czech Republic Institute of Legal Medicine and Core Facility Metabolomics, Medical University of Innsbruck, Muellerstrasse 44, Innsbruck, Austria Technologies for Water Management and Treatment Research Group, Department of Civil Engineering, University of Granada, Campus de Fuentenueva S/N, 18071, Granada, Spain Institute of Health Research Pere Virgili, Tarragona, Spain Agriculture and Agri-Food Canada/Agriculture et Agroalimentaire Canada, 1391 Sandford Street, London, ON, N5V 4T3, Canada NILU, Norwegian Institute for Air Research, Kjeller, Norway Fraunhofer Institute for Molecular Biology and Applied Ecology (Fraunhofer IME), Schmallenberg, Germany Van’t Hoff Institute for Molecular Sciences, University of Amsterdam, P.O. Box 94157, Amsterdam, 1090 GD, The Netherlands Laboratory for Operation Control and Research, Zweckverband Landeswasserversorgung, Am Spitzigen Berg 1, 89129, Langenau, Germany Environment Agency, Horizon House, Deanery Road, Bristol, BS1 5AH, UK Chemical Contamination of Marine Ecosystems (CCEM) Unit, Institut Français de Recherche pour l’Exploitation de la Mer (IFREMER), Rue de l’Ile d’Yeu, BP 21105, 44311, Cedex 3, Nantes, France Section for Environmental Chemistry and Physics, Plant and Environmental Sciences, University of Copenhagen, Thorvaldsensvej 40, 1871, Frederiksberg C, Denmark Institute for Biodiversity and Ecosystem Dynamics, University of Amsterdam, Amsterdam, The Netherlands Technology and Society Laboratory, Empa-Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, 9014, St. Gallen, Switzerland Computational Chemistry and Cheminformatics Branch (CCCB), Chemical Characterization and Exposure Division (CCED), Center for Computational Toxicology and Exposure (CCTE), United States Environmental Protection Agency, 109 T.W. Alexander Drive, Research Triangle Park, NC, 27711, USA Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, Maastricht, The Netherlands University of Alberta, Edmonton, AB, T6G 2G3, Canada C2 UNIV LUXEMBOURG, LUXEMBOURG UNIV ATHENS, GREECE ENVIRONM INST, SLOVAKIA ONIRIS, FRANCE NORWEGIAN GEOTECH INST, NORWAY UNIV NORWEGIAN NTNU, NORWAY UNIV QUEENSLAND, AUSTRALIA LEIDOS, USA UNIV ANTWERP, BELGIUM UNIV JAUME 1, SPAIN NIH, USA UFZ, GERMANY UNIV GOETHE FRANKFURT, GERMANY UNIV SWEDISH SLU, SWEDEN UNIV NATL TAIWAN NTU, TAIWAN UNIV TECH BRATISLAVA, SLOVAKIA UNIV STOCKHOLM, SWEDEN CORTEVA AGRISCIENCE, USA INERIS, FRANCE SWEDISH CHEMICALS AGENCY (KEMI), SWEDEN CSIC, SPAIN FOOD PACKAGING FORUM FND, SWITZERLAND ETH ZURICH, SWITZERLAND EAWAG, SWITZERLAND THERMO FISHER SCIENTIFIC, GERMANY UNIV UMEA, SWEDEN UNIV VRIJE AMSTERDAM, NETHERLANDS WATER RESEARCH INST (WRI), SLOVAKIA GERMAN ENVIRONMENT AGENCY (UBA), GERMANY BAVARIAN ENVIRONMENT AGENCY, GERMANY AFIN-TS, GERMANY MASS SPEC INTERPRETATION SERVICES, USA SKLECE, CHINA COLL HOPE, USA UNIV CALIF BERKELEY, USA AGILENT TECHNOLOGIES, USA UNIV VANDERBILT, USA UNIV UTRECHT, NETHERLANDS UNIV ROVIRA I VIRGILI, SPAIN BIOSFER TESLAB, SPAIN IARC, FRANCE UNIV MASARYK, CZECH REPUBLIC UNIV INNSBRUCK, AUSTRIA UNIV GRANADA, SPAIN INST HEALTH RESEARCH PERE VIRGILI (IISPV), SPAIN AGRICULTURE AND AGRI-FOOD CANADA, CANADA NILU, NORWAY FRAUNHOFER IME, GERMANY UNIV AMSTERDAM, NETHERLANDS ZWECKVERBAND LANDESWASSERVERSORGUNG, GERMANY ENVIRONMENT AGENCY, UK IFREMER, FRANCE UNIV COPENHAGEN, DENMARK UNIV AMSTERDAM, NETHERLANDS EMPA, SWITZERLAND EPA, USA UNIV MAASTRICHT, NETHERLANDS UNIV ALBERTA, CANADA SI NANTES SE PDG-RBE-CCEM IN WOS Ifremer UPR DOAJ copubli-france copubli-europe copubli-int-hors-europe copubli-sud IF 5.9 TC 28 UR https://archimer.ifremer.fr/doc/00799/91145/96837.pdf https://archimer.ifremer.fr/doc/00799/91145/96838.csv https://archimer.ifremer.fr/doc/00799/91145/96839.docx https://archimer.ifremer.fr/doc/00799/91145/96840.csv https://archimer.ifremer.fr/doc/00799/91145/96841.csv https://archimer.ifremer.fr/doc/00799/91145/96842.xlsx LA English DT Article DE ;Suspect screening;High resolution mass spectrometry;Non-target screening;Open science;FAIR (Findable Accessible Interoperable Reusable) data;Data exchange;Cheminformatics;Exposomics;Environmental contaminants;Chemicals of emerging concern AB Background The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for “suspect screening” lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide. Results The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The individual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community (https://zenodo.org/communities/norman-sle), with a total of > 40,000 unique views, > 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem (https://pubchem.ncbi.nlm.nih.gov/) and the US EPA’s CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard/), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101). Conclusions The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the “one substance, one assessment” approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website (https://www.norman-network.com/nds/SLE/). PY 2022 PD DEC SO Environmental Sciences Europe SN 2190-4707 PU Springer Science and Business Media LLC VL 34 IS 1 UT 000871050600001 DI 10.1186/s12302-022-00680-6 ID 91145 ER EF