microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data.

Autor: Zuffa S; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Schmid R; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Bauermeister A; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Department of Pharmacology, Institute of Biomedical Sciences, University of São Paulo, São Paulo, Brazil., P Gomes PW; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Caraballo-Rodriguez AM; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., El Abiead Y; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Aron AT; Department of Chemistry and Biochemistry, University of Denver, Denver, CO, USA., Gentry EC; Department of Chemistry, Virginia Tech, Blacksburg, VA, USA., Zemlin J; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Center for Microbiome Innovation, University of California San Diego, San Diego, CA, USA., Meehan MJ; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Avalon NE; Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA., Cichewicz RH; Department of Chemistry and Biochemistry, College of Arts and Sciences, University of Oklahoma, Norman, OK, USA., Buzun E; Department of Pathology, School of Medicine, University of California San Diego, San Diego, CA, USA., Terrazas MC; Department of Pathology, School of Medicine, University of California San Diego, San Diego, CA, USA., Hsu CY; Department of Pathology, School of Medicine, University of California San Diego, San Diego, CA, USA., Oles R; Department of Pathology, School of Medicine, University of California San Diego, San Diego, CA, USA., Ayala AV; Department of Pathology, School of Medicine, University of California San Diego, San Diego, CA, USA., Zhao J; Department of Pathology, School of Medicine, University of California San Diego, San Diego, CA, USA., Chu H; Department of Pathology, School of Medicine, University of California San Diego, San Diego, CA, USA.; Center for Mucosal Immunology, Allergy, and Vaccines (cMAV), Chiba University-University of California San Diego, San Diego, CA, USA., Kuijpers MCM; Department of Ecology, Behavior and Evolution, School of Biological Sciences, University of California San Diego, San Diego, CA, USA., Jackrel SL; Department of Ecology, Behavior and Evolution, School of Biological Sciences, University of California San Diego, San Diego, CA, USA., Tugizimana F; Department of Biochemistry, Faculty of Science, University of Johannesburg, Johannesburg, South Africa.; International Research and Development, Omnia Nutriology, Omnia Group (Pty) Ltd, Johannesburg, South Africa., Nephali LP; Department of Biochemistry, Faculty of Science, University of Johannesburg, Johannesburg, South Africa., Dubery IA; Department of Biochemistry, Faculty of Science, University of Johannesburg, Johannesburg, South Africa., Madala NE; Department of Biochemistry and Microbiology, Faculty of Sciences, Agriculture and Engineering, University of Venda, Thohoyandou, South Africa., Moreira EA; Department of BioMolecular Sciences, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, São Paulo, Brazil., Costa-Lotufo LV; Department of Pharmacology, Institute of Biomedical Sciences, University of São Paulo, São Paulo, Brazil., Lopes NP; Department of BioMolecular Sciences, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, São Paulo, Brazil., Rezende-Teixeira P; Department of Pharmacology, Institute of Biomedical Sciences, University of São Paulo, São Paulo, Brazil., Jimenez PC; Department of Marine Science, Institute of Marine Science, Federal University of São Paulo, Santos, Brazil., Rimal B; Department of Veterinary and Biomedical Sciences, Pennsylvania State University, University Park, PA, USA., Patterson AD; Department of Veterinary and Biomedical Sciences, Pennsylvania State University, University Park, PA, USA., Traxler MF; Plant and Microbial Biology, College of Natural Resources, University of California Berkeley, Berkeley, CA, USA., Pessotti RC; Plant and Microbial Biology, College of Natural Resources, University of California Berkeley, Berkeley, CA, USA., Alvarado-Villalobos D; Metabolomics and Chemical Profiling, Centro de Investigaciones en Productos Naturales (CIPRONA), Universidad de Costa Rica, San José, Costa Rica., Tamayo-Castillo G; Metabolomics and Chemical Profiling, Centro de Investigaciones en Productos Naturales (CIPRONA), Universidad de Costa Rica, San José, Costa Rica.; Escuela de Química, Universidad de Costa Rica, San José, Costa Rica., Chaverri P; Microbial Biotechnology, Centro de Investigaciones en Productos Naturales (CIPRONA) and Escuela de Biología, Universidad de Costa Rica, San José, Costa Rica.; Escuela de Biología, Universidad de Costa Rica, San José, Costa Rica.; Department of Natural Sciences, Bowie State University, Bowie, MD, USA., Escudero-Leyva E; Microbial Biotechnology, Centro de Investigaciones en Productos Naturales (CIPRONA), Universidad de Costa Rica, San José, Costa Rica., Quiros-Guerrero LM; School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Geneva, Switzerland., Bory AJ; School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Geneva, Switzerland., Joubert J; School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Geneva, Switzerland., Rutz A; School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Geneva, Switzerland.; Institute of Molecular Systems Biology, ETH Zurich, Zurich, Switzerland., Wolfender JL; School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Geneva, Switzerland., Allard PM; School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Geneva, Switzerland.; Department of Biology, University of Fribourg, Fribourg, Switzerland., Sichert A; Institute of Molecular Systems Biology, ETH Zurich, Zurich, Switzerland., Pontrelli S; Institute of Molecular Systems Biology, ETH Zurich, Zurich, Switzerland., Pullman BS; Department of Computer Science and Engineering, University of California San Diego, San Diego, CA, USA., Bandeira N; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Department of Computer Science and Engineering, University of California San Diego, San Diego, CA, USA., Gerwick WH; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA., Gindro K; Plant Protection, Mycology group, Agroscope, Nyon, Switzerland., Massana-Codina J; Plant Protection, Mycology group, Agroscope, Nyon, Switzerland., Wagner BC; Department of Microbiology and Organismic Interactions, Interfaculty Institute of Microbiology and Infection Medicine, University of Tuebingen, Tuebingen, Germany., Forchhammer K; Department of Microbiology and Organismic Interactions, Interfaculty Institute of Microbiology and Infection Medicine, University of Tuebingen, Tuebingen, Germany., Petras D; Cluster of Excellence 'Controlling Microbes to Fight Infections' (CMFI), University of Tuebingen, Tuebingen, Germany., Aiosa N; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, USA., Garg N; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, USA.; Center for Microbial Dynamics and Infection, Georgia Institute of Technology, Atlanta, GA, USA., Liebeke M; Department of Symbiosis, Metabolic Interactions, Max Planck Institute for Marine Microbiology, Bremen, Germany.; Department for Metabolomics, Kiel University, Kiel, Germany., Bourceau P; Department of Symbiosis, Metabolic Interactions, Max Planck Institute for Marine Microbiology, Bremen, Germany., Kang KB; Research Institute of Pharmaceutical Sciences, College of Pharmacy, Sookmyung Women's University, Seoul, Korea., Gadhavi H; Mycobacterial Metabolism and Antibiotic Research Laboratory, The Francis Crick Institute, London, UK.; King's College London, London, UK., de Carvalho LPS; Mycobacterial Metabolism and Antibiotic Research Laboratory, The Francis Crick Institute, London, UK.; Chemistry Department, The Herbert Wertheim UF Scripps Institute for Biomedical Innovation and Technology, Jupiter, FL, USA., Silva Dos Santos M; Metabolomics Science Technology Platform, The Francis Crick Institute, London, UK., Pérez-Lorente AI; Department of Microbiology, Instituto de Hortofruticultura Subtropical y Mediterránea 'La Mayora', Universidad de Málaga-Consejo Superior de Investigaciones Científicas (IHSM-UMA-CSIC), Bulevar Louis Pasteur (Campus Universitario de Teatinos), Malaga, Spain., Molina-Santiago C; Department of Microbiology, Instituto de Hortofruticultura Subtropical y Mediterránea 'La Mayora', Universidad de Málaga-Consejo Superior de Investigaciones Científicas (IHSM-UMA-CSIC), Bulevar Louis Pasteur (Campus Universitario de Teatinos), Malaga, Spain., Romero D; Department of Microbiology, Instituto de Hortofruticultura Subtropical y Mediterránea 'La Mayora', Universidad de Málaga-Consejo Superior de Investigaciones Científicas (IHSM-UMA-CSIC), Bulevar Louis Pasteur (Campus Universitario de Teatinos), Malaga, Spain., Franke R; Department of Chemical Biology, Helmholtz Centre for Infection Research, Braunschweig, Germany., Brönstrup M; Department of Chemical Biology, Helmholtz Centre for Infection Research, Braunschweig, Germany.; German Center for Infection Research (DZIF), Site Hannover-Braunschweig, Braunschweig, Germany., Vera Ponce de León A; Faculty of Chemistry, Biotechnology and Food Science, Norwegian University of Life Sciences, Ås, Norway., Pope PB; Faculty of Chemistry, Biotechnology and Food Science, Norwegian University of Life Sciences, Ås, Norway.; Faculty of Biosciences, Norwegian University of Life Sciences, Ås, Norway., La Rosa SL; Faculty of Chemistry, Biotechnology and Food Science, Norwegian University of Life Sciences, Ås, Norway.; Faculty of Biosciences, Norwegian University of Life Sciences, Ås, Norway., La Barbera G; Department of Nutrition, Exercise and Sports, University of Copenhagen, Frederiksberg, Denmark., Roager HM; Department of Nutrition, Exercise and Sports, University of Copenhagen, Frederiksberg, Denmark., Laursen MF; National Food Institute, Technical University of Denmark, Lyngby, Denmark., Hammerle F; Department of Pharmacognosy, Institute of Pharmacy, University of Innsbruck, Innsbruck, Austria., Siewert B; Department of Pharmacognosy, Institute of Pharmacy, University of Innsbruck, Innsbruck, Austria., Peintner U; Department of Microbiology, University of Innsbruck, Innsbruck, Austria., Licona-Cassani C; Escuela de Ingeniería y Ciencias, Centro de Biotecnología FEMSA, Tecnologico de Monterrey, Monterrey, Mexico., Rodriguez-Orduña L; Escuela de Ingeniería y Ciencias, Centro de Biotecnología FEMSA, Tecnologico de Monterrey, Monterrey, Mexico., Rampler E; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Vienna, Austria., Hildebrand F; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Vienna, Austria.; Vienna Doctoral School in Chemistry (DoSChem), Faculty of Chemistry, University of Vienna, Vienna, Austria., Koellensperger G; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Vienna, Austria.; Vienna Metabolomics Center (VIME), University of Vienna, Vienna, Austria., Schoeny H; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Vienna, Austria., Hohenwallner K; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Vienna, Austria.; Vienna Doctoral School in Chemistry (DoSChem), Faculty of Chemistry, University of Vienna, Vienna, Austria., Panzenboeck L; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Vienna, Austria.; Vienna Doctoral School in Chemistry (DoSChem), Faculty of Chemistry, University of Vienna, Vienna, Austria., Gregor R; Department of Civil and Environmental Engineering, School of Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA., O'Neill EC; School of Chemistry, University of Nottingham, Nottingham, UK., Roxborough ET; School of Chemistry, University of Nottingham, Nottingham, UK., Odoi J; Faculty of Engineering, University of Nottingham, Nottingham, UK., Bale NJ; Department of Marine Microbiology and Biogeochemistry, Netherlands Institute for Sea Research (NIOZ), t Horntje (Texel), the Netherlands., Ding S; Department of Marine Microbiology and Biogeochemistry, Netherlands Institute for Sea Research (NIOZ), t Horntje (Texel), the Netherlands., Sinninghe Damsté JS; Department of Marine Microbiology and Biogeochemistry, Netherlands Institute for Sea Research (NIOZ), t Horntje (Texel), the Netherlands., Guan XL; Lee Kong Chian School of Medicine, Nanyang Technological University, Singapore, Singapore., Cui JJ; Department of Microbiology, College of Arts and Sciences, The Ohio State University, Columbus, OH, USA., Ju KS; Department of Microbiology, College of Arts and Sciences, The Ohio State University, Columbus, OH, USA.; Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, The Ohio State University, Columbus, OH, USA.; Center for Applied Plant Sciences, The Ohio State University, Columbus, OH, USA.; Infectious Diseases Institute, The Ohio State University, Columbus, OH, USA., Silva DB; Faculty of Pharmaceutical Sciences, Food and Nutrition, Federal University of Mato Grosso do Sul, Campo Grande, Mato Grosso do Sul, Brazil., Silva FMR; Faculty of Pharmaceutical Sciences, Food and Nutrition, Federal University of Mato Grosso do Sul, Campo Grande, Mato Grosso do Sul, Brazil., da Silva GF; Embrapa Amazônia Ocidental, Manaus, Brazil., Koolen HHF; Escola Superior de Ciências da Saúde, Universidade do Estado do Amazonas, Manaus, Brazil., Grundmann C; Department of Pharmaceutical Sciences, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, Brazil., Clement JA; Baruch S. Blumberg Institute, Doylestown, PA, USA., Mohimani H; Computational Biology Department, School of Computer Science, Carnegie Mellon University, Pittsburgh, PA, USA., Broders K; USDA, Agricultural Research Service, National Center for Agricultural Utilization Research, Mycotoxin Prevention and Applied Microbiology Research Unit, Peoria, IL, USA., McPhail KL; Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Corvallis, OR, USA., Ober-Singleton SE; Department of Physics, Study of Heavy-Element-Biomaterials, University of Oregon, Eugene, OR, USA., Rath CM; Emeryville, CA, USA., McDonald D; Department of Pediatrics, University of California San Diego, San Diego, CA, USA., Knight R; Department of Computer Science and Engineering, University of California San Diego, San Diego, CA, USA.; Department of Pediatrics, University of California San Diego, San Diego, CA, USA.; Department of Bioengineering, University of California San Diego, San Diego, CA, USA., Wang M; Department of Computer Science and Engineering, University of California Riverside, Riverside, CA, USA., Dorrestein PC; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA. pdorrestein@health.ucsd.edu.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA. pdorrestein@health.ucsd.edu.

Publikováno v: Nature microbiology [Nat Microbiol] 2024 Feb; Vol. 9 (2), pp. 336-345. Date of Electronic Publication: 2024 Feb 05.

A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data.

Autor: Zuffa S; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Schmid R; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Bauermeister A; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Department of Pharmacology, Institute of Biomedical Sciences, University of São Paulo, Av. Lineu Prestes 1524, São Paulo, SP, 05508-000, Brazil., Gomes PWP; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Caraballo-Rodriguez AM; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Abiead YE; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Aron AT; Department of Chemistry and Biochemistry, University of Denver, Denver, CO, 80210, United States., Gentry EC; Department of Chemistry, Virginia Tech, Blacksburg, VA, 24061, United States., Zemlin J; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Center for Microbiome Innovation, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Meehan MJ; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Avalon NE; Scripps Institution of Oceanography, University of California San Diego, 9500 Gilman Dr., La Jolla, CA, 92093, United States., Cichewicz RH; Department of Chemistry and Biochemistry, College of Arts and Sciences, University of Oklahoma, 101 Stephenson Parkway, Norman, OK, 73019, United States., Buzun E; Department of Pathology, School of Medicine, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Terrazas MC; Department of Pathology, School of Medicine, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Hsu CY; Department of Pathology, School of Medicine, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Oles R; Department of Pathology, School of Medicine, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Ayala AV; Department of Pathology, School of Medicine, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Zhao J; Department of Pathology, School of Medicine, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Chu H; Department of Pathology, School of Medicine, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Center for Mucosal Immunology, Allergy, and Vaccines (cMAV), Chiba University-University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Kuijpers MCM; Department of Ecology, Behavior and Evolution, School of Biological Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Jackrel SL; Department of Ecology, Behavior and Evolution, School of Biological Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Tugizimana F; Department of Biochemistry, Faculty of Science, University of Johannesburg, Auckland Park, Johannesburg, Gauteng, 2006, South Africa.; International Research and Development, Omnia Nutriology, Omnia Group (Pty) Ltd, 178 Montecasino Boulevard, Fourways, Johannesburg, Gauteng, 2191, South Africa., Nephali LP; Department of Biochemistry, Faculty of Science, University of Johannesburg, Auckland Park, Johannesburg, Gauteng, 2006, South Africa., Dubery IA; Department of Biochemistry, Faculty of Science, University of Johannesburg, Auckland Park, Johannesburg, Gauteng, 2006, South Africa., Madala NE; Department of Biochemistry and Microbiology, Faculty of Sciences, Agriculture and Engineering, University of Venda, Private Bag X5050, Thohoyandou, Limpopo, 950, South Africa., Moreira EA; Department of BioMolecular Sciences, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Avenida do Café, Ribeirão Preto, SP, 14040-903, Brazil., Costa-Lotufo LV; Department of Pharmacology, Institute of Biomedical Sciences, University of São Paulo, Av. Lineu Prestes 1524, São Paulo, SP, 05508-000, Brazil., Lopes NP; Department of BioMolecular Sciences, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Avenida do Café, Ribeirão Preto, SP, 14040-903, Brazil., Rezende-Teixeira P; Department of Pharmacology, Institute of Biomedical Sciences, University of São Paulo, Av. Lineu Prestes 1524, São Paulo, SP, 05508-000, Brazil., Jimenez PC; Department of Marine Science, Institute of Marine Science, Federal University of São Paulo, Rua Carvalho de Mendonça, 144, Santos, SP, 11070-100, Brazil., Rimal B; Department of Veterinary and Biomedical Sciences, Pennsylvania State University, 319 Life Sciences Building, University Park, PA, 16802, United States., Patterson AD; Department of Veterinary and Biomedical Sciences, Pennsylvania State University, 320 Life Sciences Building, University Park, PA, 16802, United States., Traxler MF; Plant and Microbial Biology, College of Natural Resources, University of California Berkeley, 311 Koshland Hall, Berkeley, CA, 94270, United States., de Cassia Pessotti R; Plant and Microbial Biology, College of Natural Resources, University of California Berkeley, 311 Koshland Hall, Berkeley, CA, 94270, United States., Alvarado-Villalobos D; Metabolomics & Chemical Profiling, Centro de Investigaciones en Productos Naturales (CIPRONA), Universidad de Costa Rica, San Pedro de Montes de Oca, San José, 2061, Costa Rica., Tamayo-Castillo G; Metabolomics & Chemical Profiling, Centro de Investigaciones en Productos Naturales (CIPRONA), Universidad de Costa Rica, San Pedro de Montes de Oca, San José, 2061, Costa Rica.; Escuela de Química, Universidad de Costa Rica, San Pedro de Montes de Oca, San José, 2061, Costa Rica., Chaverri P; Microbial Biotechnology, Centro de Investigaciones en Productos Naturales (CIPRONA) & Escuela de Biología, Universidad de Costa Rica, San Pedro de Montes de Oca, San José, 2061, Costa Rica.; Escuela de Biología, Universidad de Costa Rica, San Pedro de Montes de Oca, San José, 2061, Costa Rica.; Department of Natural Sciences, Bowie State University, Bowie, Maryland, 20715, United States., Escudero-Leyva E; Microbial Biotechnology, Centro de Investigaciones en Productos Naturales (CIPRONA), Universidad de Costa Rica, San Pedro de Montes de Oca, San José, 2061, Costa Rica., Quiros-Guerrero LM; School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland., Bory AJ; School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland., Joubert J; School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland., Rutz A; School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland.; Institute of Molecular Systems Biology, ETH Zurich, Otto-Stern-Weg 3, Zürich, 8093, Switzerland., Wolfender JL; School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland., Allard PM; Department of Biology, University of Fribourg, Chemin du Musée, 10, Fribourg, FR, 1700, Switzerland.; School of Pharmaceutical Sciences, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland.; Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Rue Michel-Servet 1, Genève, GE, 1206, Switzerland., Sichert A; Institute of Molecular Systems Biology, ETH Zurich, Otto-Stern-Weg 3, Zürich, 8093, Switzerland., Pontrelli S; Institute of Molecular Systems Biology, ETH Zurich, Otto-Stern-Weg 3, Zürich, 8093, Switzerland., Pullman BS; Department of Computer Science and Engineering, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Bandeira N; Department of Computer Science and Engineering, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Gerwick WH; Scripps Institution of Oceanography, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Gindro K; Plant Protection, Mycology group, Agroscope, Rte de Duillier, 50, Nyon, VD, 1260, Switzerland., Massana-Codina J; Plant Protection, Mycology group, Agroscope, Rte de Duillier, 50, Nyon, VD, 1260, Switzerland., Wagner BC; Department of Microbiology and Organismic Interactions, Interfaculty Institute of Microbiology and Infection Medicine, University of Tuebingen, Auf der Morgenstelle 28, Tuebingen, 72076, Germany., Forchhammer K; Department of Microbiology and Organismic Interactions, Interfaculty Institute of Microbiology and Infection Medicine, University of Tuebingen, Auf der Morgenstelle 28, Tuebingen, 72076, Germany., Petras D; Cluster of Excellence 'Controlling Microbes to Fight Infections' (CMFI), University of Tuebingen, Auf der Morgenstelle 24, Tuebingen, 72076, Germany., Aiosa N; School of Chemistry and Biochemistry, Georgia Institute of Technology, 950 Atlantic Drive, Atlanta, GA, 30332, United States., Garg N; School of Chemistry and Biochemistry, Georgia Institute of Technology, 950 Atlantic Drive, Atlanta, GA, 30332, United States.; Center for Microbial Dynamics and Infection, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA, 30332, United States., Liebeke M; Department of Symbiosis, Metabolic Interactions, Max Planck Institute for Marine Microbiology, Celsiusstrasse 1, Bremen, 28359, Germany., Bourceau P; Department of Symbiosis, Metabolic Interactions, Max Planck Institute for Marine Microbiology, Celsiusstrasse 1, Bremen, 28359, Germany., Kang KB; Research Institute of Pharmaceutical Sciences, College of Pharmacy, Sookmyung Women's University, Cheongpa-ro 47 gil 100, Seoul, 04310, Korea., Gadhavi H; Mycobacterial Metabolism and Antibiotic Research Laboratory, The Francis Crick Institute, 1 Midland Road, London, NW1 1AT, UK.; King's College London, Strand, London, WC2R 2LS, UK., de Carvalho LPS; Mycobacterial Metabolism and Antibiotic Research Laboratory, The Francis Crick Institute, 1 Midland Road, London, NW1 1AT, UK.; Chemistry Department, The Herbert Wertheim UF Scripps Institute for Biomedical Innovation & Technology, 110 Scripps Way, Jupiter, FL, 33458, United States., Dos Santos MS; Metabolomics Science Technology Platform, The Francis Crick Institute, 1 Midland Road, London, NW1 1AT, UK., Pérez-Lorente AI; Department of Microbiology, Instituto de Hortofruticultura Subtropical y Mediterránea ''La Mayora'', Universidad de Málaga-Consejo Superior de Investigaciones Científicas (IHSM-UMA-CSIC), Bulevar Louis Pasteur (Campus Universitario de Teatinos), Málaga, Málaga, 29071, Spain., Molina-Santiago C; Department of Microbiology, Instituto de Hortofruticultura Subtropical y Mediterránea ''La Mayora'', Universidad de Málaga-Consejo Superior de Investigaciones Científicas (IHSM-UMA-CSIC), Bulevar Louis Pasteur (Campus Universitario de Teatinos), Málaga, Málaga, 29071, Spain., Romero D; Department of Microbiology, Instituto de Hortofruticultura Subtropical y Mediterránea ''La Mayora'', Universidad de Málaga-Consejo Superior de Investigaciones Científicas (IHSM-UMA-CSIC), Bulevar Louis Pasteur (Campus Universitario de Teatinos), Málaga, Málaga, 29071, Spain., Franke R; Department of Chemical Biology, Helmholtz Centre for Infection Research, Inhoffenstraße 7, Braunschweig, 38124, Germany., Brönstrup M; Department of Chemical Biology, Helmholtz Centre for Infection Research, Inhoffenstraße 7, Braunschweig, 38124, Germany.; German Center for Infection Research (DZIF), Site Hannover-Braunschweig, Braunschweig, 38124, Germany., de León AVP; Faculty of Chemistry, BIotechnology and Food Science, Norwegian University of Life Sciences, Postboks 5003, Ås, 1433, Norway., Pope PB; Faculty of Biosciences, Norwegian University of Life Sciences, Postboks 5003, Ås, 1433, Norway.; Faculty of Chemistry, BIotechnology and Food Science, Norwegian University of Life Sciences, Postboks 5003, Ås, 1433, Norway., Rosa SL; Faculty of Chemistry, BIotechnology and Food Science, Norwegian University of Life Sciences, Postboks 5003, Ås, 1433, Norway., Barbera G; Department of Nutrition, Exercise and Sports, University of Copenhagen, Rolighedsvej 26, Frederiksberg, 1958, Denmark., Roager HM; Department of Nutrition, Exercise and Sports, University of Copenhagen, Rolighedsvej 26, Frederiksberg, 1958, Denmark., Laursen MF; National Food Institute, Technical University of Denmark, Kemitorvet B202, Lyngby, 2800, Denmark., Hammerle F; Department of Pharmacognosy, Institute of Pharmacy, University of Innsbruck, Innrain 80-82, Innsbruck, 6020, Austria., Siewert B; Department of Pharmacognosy, Institute of Pharmacy, University of Innsbruck, Innrain 80-82, Innsbruck, 6020, Austria., Peintner U; Department of Microbiology, University of Innsbruck, Technikerstr. 25, Innsbruck, 6020, Austria., Licona-Cassani C; Escuela de Ingeniería y Ciencias, Centro de Biotecnología FEMSA, Tecnologico de Monterrey, Av. Eugenio Garza Sada 2501, Monterrey, Nuevo Leon, 64849, Mexico., Rodriguez-Orduña L; Escuela de Ingeniería y Ciencias, Centro de Biotecnología FEMSA, Tecnologico de Monterrey, Av. Eugenio Garza Sada 2501, Monterrey, Nuevo Leon, 64849, Mexico., Rampler E; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 38, Vienna, 1090, Austria., Hildebrand F; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 38, Vienna, 1090, Austria.; Vienna Doctoral School in Chemistry (DoSChem), Faculty of Chemistry, University of Vienna, Waehringer Str. 42, Vienna, 1090, Austria., Koellensperger G; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 38, Vienna, 1090, Austria.; Vienna Metabolomics Center (VIME), University of Vienna, Althanstr. 14,, Vienna, 1090, Austria., Schoeny H; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 38, Vienna, 1090, Austria., Hohenwallner K; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 38, Vienna, 1090, Austria.; Vienna Doctoral School in Chemistry (DoSChem), Faculty of Chemistry, University of Vienna, Waehringer Str. 42, Vienna, 1090, Austria., Panzenboeck L; Department of Analytical Chemistry, Faculty of Chemistry, University of Vienna, Waehringer Str. 38, Vienna, 1090, Austria.; Vienna Doctoral School in Chemistry (DoSChem), Faculty of Chemistry, University of Vienna, Waehringer Str. 42, Vienna, 1090, Austria., Gregor R; Department of Civil and Environmental Engineering, School of Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, 02142, United States., O'Neill EC; School of Chemistry, University of Nottingham, University Park, Nottingham, NG72RD, UK., Roxborough ET; School of Chemistry, University of Nottingham, University Park, Nottingham, NG72RD, UK., Odoi J; Faculty of Engineering, University of Nottingham, University Park, Nottingham, NG72RD, UK., Bale NJ; Department of Marine Microbiology and Biogeochemistry, Netherlands Institute for Sea Research (NIOZ), Landsdiep 4, t Horntje (Texel), 1797 SZ, Netherlands., Ding S; Department of Marine Microbiology and Biogeochemistry, Netherlands Institute for Sea Research (NIOZ), Landsdiep 4, t Horntje (Texel), 1797 SZ, Netherlands., Sinninghe Damsté JS; Department of Marine Microbiology and Biogeochemistry, Netherlands Institute for Sea Research (NIOZ), Landsdiep 4, t Horntje (Texel), 1797 SZ, Netherlands., Guan XL; Lee Kong Chian School of Medicine, Nanyang Technological University, 59 Nanyang Drive, Singapore, Singapore, 636921, Singapore., Cui JJ; Department of Microbiology, College of Arts and Sciences, The Ohio State University, 484 W. 12th Ave, Columbus, OH, 43210, United States., Ju KS; Department of Microbiology, College of Arts and Sciences, The Ohio State University, 484 W. 12th Ave, Columbus, OH, 43210, United States.; Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, The Ohio State University, 484 W. 12th Ave, Columbus, OH, 43210, United States.; Center for Applied Plant Sciences, The Ohio State University, 484 W. 12th Ave, Columbus, OH, 43210, United States.; Infectious Diseases Institute, The Ohio State University, 484 W. 12th Ave, Columbus, OH, 43210, United States., Silva DB; Faculty of Pharmaceutical Sciences, Food and Nutrition, Federal University of Mato Grosso do Sul, Av. Costa e Silva, s/n, Campo Grande, MS, 79070-900, Brazil., Silva FMR; Faculty of Pharmaceutical Sciences, Food and Nutrition, Federal University of Mato Grosso do Sul, Av. Costa e Silva, s/n, Campo Grande, MS, 79070-900, Brazil., da Silva GF; Embrapa Amazônia Ocidental, AM-010 Roadway, Manaus, AM, 69010-970, Brazil., Koolen HHF; Escola Superior de Ciências da Saúde, Universidade do Estado do Amazonas, 1777 Carvalho Leal Avenue, Manaus, AM, 69065-001, Brazil., Grundmann C; Department of Pharmaceutical Sciences, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Avenida do Café, Ribeirão Preto, SP, 14040-903, Brazil., Clement JA; Baruch S. Blumberg Institute, 3805 Old Easton Rd., Doylestown, PA, 18902, United States., Mohimani H; Computational Biology Department, School of Computer Science, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA, 15213, United States., Broders K; USDA, Agricultural Research Service, National Center for Agricultural Utilization Research, Mycotoxin Prevention and Applied Microbiology Research Unit, 1815 N. University, Peoria, IL, 61604, United States., McPhail KL; Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Weniger Hall, room 341, Corvallis, OR, 97331, United States., Ober-Singleton SE; Department of Physics, Study of Heavy-Element-Biomaterials, University of Oregon, 1255 E 13th Ave, Basement, Eugene, OR, 97402, United States., Rath CM; 1480 64th St #300, Emeryville, CA, 94608, United States., McDonald D; Department of Pediatrics, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Knight R; Department of Pediatrics, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Department of Computer Science and Engineering, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Department of Bioengineering, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States., Wang M; Department of Computer Science and Engineering, University of California Riverside, 900 University Ave., Riverside, CA, 92521, United States., Dorrestein PC; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Dr., San Diego, CA, 92093, United States.

Publikováno v: Research square [Res Sq] 2023 Aug 03. Date of Electronic Publication: 2023 Aug 03.

Feature-based molecular networking in the GNPS analysis environment.

Autor: Nothias LF; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Petras D; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA., Schmid R; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Dührkop K; Chair for Bioinformatics, Friedrich-Schiller University, Jena, Germany., Rainer J; Institute for Biomedicine, Eurac Research, Affiliated Institute of the University of Lübeck, Bolzano, Italy., Sarvepalli A; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Protsyuk I; Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany., Ernst M; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Section for Clinical Mass Spectrometry, Department of Congenital Disorders, Danish Center for Neonatal Screening, Statens Serum Institut, Copenhagen, Denmark., Tsugawa H; RIKEN Center for Sustainable Resource Science, Yokohama, Japan.; RIKEN Center for Integrative Medical Sciences, Yokohama, Japan., Fleischauer M; Chair for Bioinformatics, Friedrich-Schiller University, Jena, Germany., Aicheler F; Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen, Germany.; Institute for Bioinformatics and Medical Informatics, University of Tübingen, Tübingen, Germany., Aksenov AA; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Alka O; Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen, Germany.; Institute for Bioinformatics and Medical Informatics, University of Tübingen, Tübingen, Germany., Allard PM; Department of Phytochemistry and Bioactive Natural Products, University of Geneva, Geneva, Switzerland., Barsch A; Bruker Daltonics, Bremen, Germany., Cachet X; Equipe PNAS, UMR 8038 CiTCoM CNRS, Faculté de Pharmacie de Paris, Université Paris Descartes, Paris, France., Caraballo-Rodriguez AM; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Da Silva RR; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Department of Physics and Chemistry, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, Brazil., Dang T; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Institute of Chemistry, Technische Universität Berlin, Berlin, Germany., Garg N; School of Chemistry and Biochemistry, Center for Microbial Dynamics and Infection, Georgia Institute of Technology, Atlanta, GA, USA., Gauglitz JM; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Gurevich A; Center for Algorithmic Biotechnology, Institute of Translational Biomedicine, St. Petersburg State University, St. Petersburg, Russia., Isaac G; Waters Corporation, Milford, MA, USA., Jarmusch AK; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Kameník Z; Institute of Microbiology of the Czech Academy of Sciences, Prague, Czech Republic., Kang KB; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; College of Pharmacy, Sookmyung Women's University, Seoul, Republic of Korea., Kessler N; Bruker Daltonics, Bremen, Germany., Koester I; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA., Korf A; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany., Le Gouellec A; Univ. Grenoble Alpes, CNRS, Grenoble INP, CHU Grenoble Alpes, TIMC-IMAG, Grenoble, France., Ludwig M; Chair for Bioinformatics, Friedrich-Schiller University, Jena, Germany., Martin H C; Centro de Biodiversidad y Descubrimiento de Drogas, Instituto de Investigaciones Científicas y Servicios de Alta Tecnología (INDICASAT AIP), Panama, Republic of Panama., McCall LI; Department of Chemistry and Biochemistry, Department of Microbiology and Plant Biology and Laboratories of Molecular Anthropology and Microbiome Research, University of Oklahoma, Norman, OK, USA., McSayles J; Nonlinear Dynamics, Milford, MA, USA., Meyer SW; Bruker Daltonics, Bremen, Germany., Mohimani H; Computational Biology Department, School of Computer Sciences, Carnegie Mellon University, Pittsburgh, PA, USA., Morsy M; Department of Biological and Environmental Sciences, University of West Alabama, Livingston, AL, USA., Moyne O; Univ. Grenoble Alpes, CNRS, Grenoble INP, CHU Grenoble Alpes, TIMC-IMAG, Grenoble, France.; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Neumann S; Bioinformatics and Scientific Data, Leibniz Institute of Plant Biochemistry, Halle, Germany.; German Centre for Integrative Biodiversity Research (iDiv) Halle-Jena-Leipzig, Leipzig, Germany., Neuweger H; Bruker Daltonics, Bremen, Germany., Nguyen NH; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Nothias-Esposito M; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Paolini J; Laboratoire de Chimie des Produits Naturels, UMR CNRS SPE, Université de Corse Pascal Paoli, Corte, France., Phelan VV; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of Colorado, Denver, Aurora, CO, USA., Pluskal T; Whitehead Institute for Biomedical Research, Cambridge, MA, USA., Quinn RA; Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI, USA., Rogers S; School of Computing Science, University of Glasgow, Glasgow, UK., Shrestha B; Waters Corporation, Milford, MA, USA., Tripathi A; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA.; Division of Biological Sciences, University of California San Diego, La Jolla, CA, USA., van der Hooft JJJ; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Bioinformatics Group, Wageningen University, Wageningen, the Netherlands., Vargas F; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Weldon KC; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA., Witting M; Research Unit Analytical BioGeoChemistry, Helmholtz Zentrum München, München, Germany., Yang H; College of Pharmacy, Kangwon National University, Chuncheon-si, Republic of Korea., Zhang Z; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA., Zubeil F; Bruker Daltonics, Bremen, Germany., Kohlbacher O; Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen, Germany.; Institute for Bioinformatics and Medical Informatics, University of Tübingen, Tübingen, Germany.; Institute for Translational Bioinformatics, University Hospital Tübingen, Tübingen, Germany.; Biomolecular Interactions, Max Planck Institute for Developmental Biology, Tübingen, Germany., Böcker S; Chair for Bioinformatics, Friedrich-Schiller University, Jena, Germany., Alexandrov T; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany., Bandeira N; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.; Department of Computer Science and Engineering, University of California San Diego, La Jolla, CA, USA., Wang M; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA. miw023@ucsd.edu.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA. miw023@ucsd.edu.; Department of Computer Science and Engineering, University of California San Diego, La Jolla, CA, USA. miw023@ucsd.edu., Dorrestein PC; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA. pdorrestein@ucsd.edu.; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA. pdorrestein@ucsd.edu.; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA. pdorrestein@ucsd.edu.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA. pdorrestein@ucsd.edu.

Publikováno v: Nature methods [Nat Methods] 2020 Sep; Vol. 17 (9), pp. 905-908. Date of Electronic Publication: 2020 Aug 24.

A Convolutional Neural Network-Based Approach for the Rapid Annotation of Molecularly Diverse Natural Products.

Autor: Reher R; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Kim HW; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Zhang C; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States.; Department of Computer Science and Engineering, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Mao HH; Department of Computer Science and Engineering, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Wang M; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Nothias LF; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Caraballo-Rodriguez AM; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Glukhov E; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Teke B; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Leao T; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Alexander KL; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States.; Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Duggan BM; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Van Everbroeck EL; Director's Office, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Dorrestein PC; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Cottrell GW; Department of Computer Science and Engineering, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States., Gerwick WH; Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093, United States.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2020 Mar 04; Vol. 142 (9), pp. 4114-4120. Date of Electronic Publication: 2020 Feb 21.

Endophytic Actinobacteria from the Brazilian Medicinal Plant Lychnophora ericoides Mart. and the Biological Potential of Their Secondary Metabolites.

Autor: Conti R; Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Avenida do Café s/n, 14040-903, Ribeirão Preto, SP, Brazil.; CEPID-CIBFar - Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, FAPESP, São Paulo, SP, Brazil., Chagas FO; Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Avenida do Café s/n, 14040-903, Ribeirão Preto, SP, Brazil.; CEPID-CIBFar - Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, FAPESP, São Paulo, SP, Brazil., Caraballo-Rodriguez AM; Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Avenida do Café s/n, 14040-903, Ribeirão Preto, SP, Brazil.; CEPID-CIBFar - Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, FAPESP, São Paulo, SP, Brazil., Melo WG; Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Avenida do Café s/n, 14040-903, Ribeirão Preto, SP, Brazil.; CEPID-CIBFar - Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, FAPESP, São Paulo, SP, Brazil., do Nascimento AM; Instituto de Ciências Exatas e Biológicas, Universidade Federal de Ouro Preto, Ouro Preto, MG, Brazil., Cavalcanti BC; Faculdade de Medicina, Universidade Federal do Ceará, Fortaleza, CE, Brazil., de Moraes MO; Faculdade de Medicina, Universidade Federal do Ceará, Fortaleza, CE, Brazil., Pessoa C; Faculdade de Medicina, Universidade Federal do Ceará, Fortaleza, CE, Brazil.; Fundação Oswaldo Cruz (Fiocruz), Fortaleza, CE, Brazil., Costa-Lotufo LV; Instituto de Ciências Biomédicas, Universidade de São Paulo, São Paulo, SP, Brazil., Krogh R; CEPID-CIBFar - Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, FAPESP, São Paulo, SP, Brazil.; Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, SP, Brazil., Andricopulo AD; CEPID-CIBFar - Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, FAPESP, São Paulo, SP, Brazil.; Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos, SP, Brazil., Lopes NP; Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Avenida do Café s/n, 14040-903, Ribeirão Preto, SP, Brazil., Pupo MT; Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Avenida do Café s/n, 14040-903, Ribeirão Preto, SP, Brazil. mtpupo@fcfrp.usp.br.; CEPID-CIBFar - Centro de Pesquisa e Inovação em Biodiversidade e Fármacos, FAPESP, São Paulo, SP, Brazil. mtpupo@fcfrp.usp.br.

Publikováno v: Chemistry & biodiversity [Chem Biodivers] 2016 Jun; Vol. 13 (6), pp. 727-36. Date of Electronic Publication: 2016 May 20.