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Feature-based molecular networking in the GNPS analysis environment.
Nothias, Louis-Félix; Petras, Daniel; Schmid, Robin; Dührkop, Kai; Rainer, Johannes; Sarvepalli, Abinesh; Protsyuk, Ivan; Ernst, Madeleine; Tsugawa, Hiroshi; Fleischauer, Markus; Aicheler, Fabian; Aksenov, Alexander A; Alka, Oliver; Allard, Pierre-Marie; Barsch, Aiko; Cachet, Xavier; Caraballo-Rodriguez, Andres Mauricio; Da Silva, Ricardo R; Dang, Tam; Garg, Neha; Gauglitz, Julia M; Gurevich, Alexey; Isaac, Giorgis; Jarmusch, Alan K; Kameník, Zdenek; Kang, Kyo Bin; Kessler, Nikolas; Koester, Irina; Korf, Ansgar; Le Gouellec, Audrey; Ludwig, Marcus; Martin H, Christian; McCall, Laura-Isobel; McSayles, Jonathan; Meyer, Sven W; Mohimani, Hosein; Morsy, Mustafa; Moyne, Oriane; Neumann, Steffen; Neuweger, Heiko; Nguyen, Ngoc Hung; Nothias-Esposito, Melissa; Paolini, Julien; Phelan, Vanessa V; Pluskal, Tomás; Quinn, Robert A; Rogers, Simon; Shrestha, Bindesh; Tripathi, Anupriya; van der Hooft, Justin J J.
Afiliação
  • Nothias LF; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Petras D; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Schmid R; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Dührkop K; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Rainer J; Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA.
  • Sarvepalli A; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany.
  • Protsyuk I; Chair for Bioinformatics, Friedrich-Schiller University, Jena, Germany.
  • Ernst M; Institute for Biomedicine, Eurac Research, Affiliated Institute of the University of Lübeck, Bolzano, Italy.
  • Tsugawa H; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Fleischauer M; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Aicheler F; Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany.
  • Aksenov AA; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Alka O; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Allard PM; Section for Clinical Mass Spectrometry, Department of Congenital Disorders, Danish Center for Neonatal Screening, Statens Serum Institut, Copenhagen, Denmark.
  • Barsch A; RIKEN Center for Sustainable Resource Science, Yokohama, Japan.
  • Cachet X; RIKEN Center for Integrative Medical Sciences, Yokohama, Japan.
  • Caraballo-Rodriguez AM; Chair for Bioinformatics, Friedrich-Schiller University, Jena, Germany.
  • Da Silva RR; Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen, Germany.
  • Dang T; Institute for Bioinformatics and Medical Informatics, University of Tübingen, Tübingen, Germany.
  • Garg N; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Gauglitz JM; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Gurevich A; Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen, Germany.
  • Isaac G; Institute for Bioinformatics and Medical Informatics, University of Tübingen, Tübingen, Germany.
  • Jarmusch AK; Department of Phytochemistry and Bioactive Natural Products, University of Geneva, Geneva, Switzerland.
  • Kameník Z; Bruker Daltonics, Bremen, Germany.
  • Kang KB; Equipe PNAS, UMR 8038 CiTCoM CNRS, Faculté de Pharmacie de Paris, Université Paris Descartes, Paris, France.
  • Kessler N; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Koester I; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Korf A; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Le Gouellec A; Department of Physics and Chemistry, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, Brazil.
  • Ludwig M; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Martin H C; Institute of Chemistry, Technische Universität Berlin, Berlin, Germany.
  • McCall LI; School of Chemistry and Biochemistry, Center for Microbial Dynamics and Infection, Georgia Institute of Technology, Atlanta, GA, USA.
  • McSayles J; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Meyer SW; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Mohimani H; Center for Algorithmic Biotechnology, Institute of Translational Biomedicine, St. Petersburg State University, St. Petersburg, Russia.
  • Morsy M; Waters Corporation, Milford, MA, USA.
  • Moyne O; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Neumann S; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Neuweger H; Institute of Microbiology of the Czech Academy of Sciences, Prague, Czech Republic.
  • Nguyen NH; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Nothias-Esposito M; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Paolini J; College of Pharmacy, Sookmyung Women's University, Seoul, Republic of Korea.
  • Phelan VV; Bruker Daltonics, Bremen, Germany.
  • Pluskal T; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.
  • Quinn RA; Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, USA.
  • Rogers S; Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA.
  • Shrestha B; Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany.
  • Tripathi A; Univ. Grenoble Alpes, CNRS, Grenoble INP, CHU Grenoble Alpes, TIMC-IMAG, Grenoble, France.
  • van der Hooft JJJ; Chair for Bioinformatics, Friedrich-Schiller University, Jena, Germany.
Nat Methods ; 17(9): 905-908, 2020 09.
Article em En | MEDLINE | ID: mdl-32839597
ABSTRACT
Molecular networking has become a key method to visualize and annotate the chemical space in non-targeted mass spectrometry data. We present feature-based molecular networking (FBMN) as an analysis method in the Global Natural Products Social Molecular Networking (GNPS) infrastructure that builds on chromatographic feature detection and alignment tools. FBMN enables quantitative analysis and resolution of isomers, including from ion mobility spectrometry.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Espectrometria de Massas / Produtos Biológicos Idioma: En Revista: Nat Methods Assunto da revista: TECNICAS E PROCEDIMENTOS DE LABORATORIO Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Estados Unidos
Texto completo
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Espectrometria de Massas / Produtos Biológicos Idioma: En Revista: Nat Methods Assunto da revista: TECNICAS E PROCEDIMENTOS DE LABORATORIO Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Estados Unidos