New Results
Feature-based Molecular Networking in the GNPS Analysis Environment
View ORCID ProfileLouis Felix Nothias, View ORCID ProfileDaniel Petras, View ORCID ProfileRobin Schmid, View ORCID ProfileKai Dührkop, View ORCID ProfileJohannes Rainer, Abinesh Sarvepalli, Ivan Protsyuk, View ORCID ProfileMadeleine Ernst, View ORCID ProfileHiroshi Tsugawa, Markus Fleischauer, Fabian Aicheler, View ORCID ProfileAlexander Aksenov, Oliver Alka, View ORCID ProfilePierre-Marie Allard, Aiko Barsch, Xavier Cachet, Mauricio Caraballo, View ORCID ProfileRicardo R. Da Silva, Tam Dang, View ORCID ProfileNeha Garg, View ORCID ProfileJulia M. Gauglitz, View ORCID ProfileAlexey Gurevich, Giorgis Isaac, View ORCID ProfileAlan K. Jarmusch, Zdeněk Kameník, View ORCID ProfileKyo Bin Kang, Nikolas Kessler, Irina Koester, Ansgar Korf, Audrey Le Gouellec, Marcus Ludwig, Martin H. Christian, View ORCID ProfileLaura-Isobel McCall, Jonathan McSayles, Sven W. Meyer, View ORCID ProfileHosein Mohimani, Mustafa Morsy, Oriane Moyne, View ORCID ProfileSteffen Neumann, Heiko Neuweger, Ngoc Hung Nguyen, Melissa Nothias-Esposito, Julien Paolini, View ORCID ProfileVanessa V. Phelan, View ORCID ProfileTomáš Pluskal, Robert A. Quinn, View ORCID ProfileSimon Rogers, Bindesh Shrestha, Anupriya Tripathi, View ORCID ProfileJustin J.J. van der Hooft, View ORCID ProfileFernando Vargas, Kelly C. Weldon, Michael Witting, View ORCID ProfileHeejung Yang, Zheng Zhang, Florian Zubeil, View ORCID ProfileOliver Kohlbacher, View ORCID ProfileSebastian Böcker, View ORCID ProfileTheodore Alexandrov, View ORCID ProfileNuno Bandeira, View ORCID ProfileMingxun Wang, View ORCID ProfilePieter C. Dorrestein
doi: https://doi.org/10.1101/812404
Louis Felix Nothias
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Daniel Petras
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
3Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA
Robin Schmid
4Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany
Kai Dührkop
5Chair for Bioinformatics, Friedrich-Schiller-University Jena, Jena, Germany
Johannes Rainer
6Institute for Biomedicine, Eurac Research, Affiliated Institute of the University of Lübeck, Bolzano, Italy
Abinesh Sarvepalli
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Ivan Protsyuk
7Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany
Madeleine Ernst
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
8Center for Newborn Screening, Department of Congenital Disorders, Statens Serum Institut, Copenhagen, Denmark
Hiroshi Tsugawa
9RIKEN Center for Sustainable Resource Science, Yokohama, Kanagawa, Japan
10RIKEN Center for Integrative Medical Sciences, Yokohama, Kanagawa, Japan
Markus Fleischauer
5Chair for Bioinformatics, Friedrich-Schiller-University Jena, Jena, Germany
Fabian Aicheler
11Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen, Germany
12Institute for Translational Bioinformatics, University Hospital Tübingen, Tübingen, Germany
Alexander Aksenov
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Oliver Alka
11Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen, Germany
12Institute for Translational Bioinformatics, University Hospital Tübingen, Tübingen, Germany
Pierre-Marie Allard
13Department of Phytochemistry and Bioactive Natural Products, University of Geneva, Geneva, Switzerland
Aiko Barsch
14Bruker Daltonics, Bremen, Germany
Xavier Cachet
15Equipe PNAS, UMR 8038 CiTCoM CNRS, Faculté de Pharmacie de Paris, Université Paris Descartes, Paris, France
Mauricio Caraballo
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Ricardo R. Da Silva
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
16Department of Physics and Chemistry, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto, Brazil
Tam Dang
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
17Technische Universität Berlin, Faculty II Mathematics and Natural Sciences, Institute of Chemistry, Berlin, Germany
Neha Garg
18School of Chemistry and Biochemistry, Center for Microbial Dynamics and Infection, Georgia Institute of Technology, Atlanta, GA, USA
Julia M. Gauglitz
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Alexey Gurevich
19Center for Algorithmic Biotechnology, Institute of Translational Biomedicine, St. Petersburg State University, St. Petersburg, Russia
Giorgis Isaac
20Waters Corporation, Milford, MA, USA
Alan K. Jarmusch
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Zdeněk Kameník
21Institute of Microbiology of the Czech Academy of Sciences, Prague, Czech Republic
Kyo Bin Kang
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
22College of Pharmacy, Sookmyung Women’s University, Seoul, Republic of Korea
Nikolas Kessler
14Bruker Daltonics, Bremen, Germany
Irina Koester
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
3Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA
Ansgar Korf
4Institute of Inorganic and Analytical Chemistry, University of Münster, Münster, Germany
Audrey Le Gouellec
23Univ. Grenoble Alpes, CNRS, Grenoble INP, CHU Grenoble Alpes, TIMC-IMAG, Grenoble, France
Marcus Ludwig
5Chair for Bioinformatics, Friedrich-Schiller-University Jena, Jena, Germany
Martin H. Christian
24Centro de Biodiversidad y Descubrimiento de Drogas, INDICASAT AIP, Panama, Republic of Panama
Laura-Isobel McCall
25Department of Chemistry and Biochemistry, Department of Microbiology and Plant Biology and Laboratories of Molecular Anthropology and Microbiome Research, University of Oklahoma, USA
Jonathan McSayles
26Nonlinear Dynamics, Milford, MA, USA
Sven W. Meyer
14Bruker Daltonics, Bremen, Germany
Hosein Mohimani
27Computational Biology Department, School of Computer Sciences, Carnegie Mellon University, Pittsburgh, Pennsylvania, USA
Mustafa Morsy
28Department of Biological and Environmental Sciences, University of West Alabama, Livingston, USA
Oriane Moyne
23Univ. Grenoble Alpes, CNRS, Grenoble INP, CHU Grenoble Alpes, TIMC-IMAG, Grenoble, France
29Department of Pediatrics, University of California San Diego, La Jolla, San Diego, CA, USA
Steffen Neumann
30Bioinformatics and Scientific Data, Leibniz Institute of Plant Biochemistry, Halle, Germany
31German Centre for Integrative Biodiversity Research (iDiv) Halle-Jena-Leipzig, Germany
Heiko Neuweger
14Bruker Daltonics, Bremen, Germany
Ngoc Hung Nguyen
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Melissa Nothias-Esposito
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Julien Paolini
32Laboratoire de Chimie des Produits Naturels, UMR CNRS SPE, Université de Corse Pascal Paoli, France
Vanessa V. Phelan
33Skaggs School of Pharmacy and Pharmaceutical Sciences, University of Colorado, Denver, Aurora, CO, USA
Tomáš Pluskal
34Whitehead Institute for Biomedical Research, Cambridge, MA, USA
Robert A. Quinn
35Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, 48823, MI, USA
Simon Rogers
36School of Computing Science, University of Glasgow, Glasgow G12 8QQ, UK
Bindesh Shrestha
19Center for Algorithmic Biotechnology, Institute of Translational Biomedicine, St. Petersburg State University, St. Petersburg, Russia
Anupriya Tripathi
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
29Department of Pediatrics, University of California San Diego, La Jolla, San Diego, CA, USA
37Division of Biological Sciences, University of California San Diego, La Jolla, CA, USA
Justin J.J. van der Hooft
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
38Bioinformatics Group, Wageningen University, Wageningen, the Netherlands
Fernando Vargas
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Kelly C. Weldon
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
39Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, USA
Michael Witting
40Research Unit Analytical BioGeoChemistry, Helmholtz Zentrum München
Heejung Yang
41College of Pharmacy, Kangwon National University, Republic of Korea
Zheng Zhang
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
Florian Zubeil
14Bruker Daltonics, Bremen, Germany
Oliver Kohlbacher
11Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen, Germany
12Institute for Translational Bioinformatics, University Hospital Tübingen, Tübingen, Germany
42Institute for Bioinformatics and Medical Informatics, University of Tübingen, Tübingen, Germany
43Biomolecular Interactions, Max Planck Institute for Developmental Biology, Tübingen, Germany
Sebastian Böcker
5Chair for Bioinformatics, Friedrich-Schiller-University Jena, Jena, Germany
Theodore Alexandrov
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
7Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany
Nuno Bandeira
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
44Department of Computer Science and Engineering, University of California San Diego, CA, USA
Mingxun Wang
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
44Department of Computer Science and Engineering, University of California San Diego, CA, USA
Pieter C. Dorrestein
1Skaggs of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, San Diego, CA, USA
2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, San Diego, CA, USA
29Department of Pediatrics, University of California San Diego, La Jolla, San Diego, CA, USA
39Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, USA
Article usage
Posted October 20, 2019.
Feature-based Molecular Networking in the GNPS Analysis Environment
Louis Felix Nothias, Daniel Petras, Robin Schmid, Kai Dührkop, Johannes Rainer, Abinesh Sarvepalli, Ivan Protsyuk, Madeleine Ernst, Hiroshi Tsugawa, Markus Fleischauer, Fabian Aicheler, Alexander Aksenov, Oliver Alka, Pierre-Marie Allard, Aiko Barsch, Xavier Cachet, Mauricio Caraballo, Ricardo R. Da Silva, Tam Dang, Neha Garg, Julia M. Gauglitz, Alexey Gurevich, Giorgis Isaac, Alan K. Jarmusch, Zdeněk Kameník, Kyo Bin Kang, Nikolas Kessler, Irina Koester, Ansgar Korf, Audrey Le Gouellec, Marcus Ludwig, Martin H. Christian, Laura-Isobel McCall, Jonathan McSayles, Sven W. Meyer, Hosein Mohimani, Mustafa Morsy, Oriane Moyne, Steffen Neumann, Heiko Neuweger, Ngoc Hung Nguyen, Melissa Nothias-Esposito, Julien Paolini, Vanessa V. Phelan, Tomáš Pluskal, Robert A. Quinn, Simon Rogers, Bindesh Shrestha, Anupriya Tripathi, Justin J.J. van der Hooft, Fernando Vargas, Kelly C. Weldon, Michael Witting, Heejung Yang, Zheng Zhang, Florian Zubeil, Oliver Kohlbacher, Sebastian Böcker, Theodore Alexandrov, Nuno Bandeira, Mingxun Wang, Pieter C. Dorrestein
bioRxiv 812404; doi: https://doi.org/10.1101/812404
Feature-based Molecular Networking in the GNPS Analysis Environment
Louis Felix Nothias, Daniel Petras, Robin Schmid, Kai Dührkop, Johannes Rainer, Abinesh Sarvepalli, Ivan Protsyuk, Madeleine Ernst, Hiroshi Tsugawa, Markus Fleischauer, Fabian Aicheler, Alexander Aksenov, Oliver Alka, Pierre-Marie Allard, Aiko Barsch, Xavier Cachet, Mauricio Caraballo, Ricardo R. Da Silva, Tam Dang, Neha Garg, Julia M. Gauglitz, Alexey Gurevich, Giorgis Isaac, Alan K. Jarmusch, Zdeněk Kameník, Kyo Bin Kang, Nikolas Kessler, Irina Koester, Ansgar Korf, Audrey Le Gouellec, Marcus Ludwig, Martin H. Christian, Laura-Isobel McCall, Jonathan McSayles, Sven W. Meyer, Hosein Mohimani, Mustafa Morsy, Oriane Moyne, Steffen Neumann, Heiko Neuweger, Ngoc Hung Nguyen, Melissa Nothias-Esposito, Julien Paolini, Vanessa V. Phelan, Tomáš Pluskal, Robert A. Quinn, Simon Rogers, Bindesh Shrestha, Anupriya Tripathi, Justin J.J. van der Hooft, Fernando Vargas, Kelly C. Weldon, Michael Witting, Heejung Yang, Zheng Zhang, Florian Zubeil, Oliver Kohlbacher, Sebastian Böcker, Theodore Alexandrov, Nuno Bandeira, Mingxun Wang, Pieter C. Dorrestein
bioRxiv 812404; doi: https://doi.org/10.1101/812404
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