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Feature-Based Molecular Networking in the GNPS Analysis Environment
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...
| Autores principales: | , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7885687/ https://www.ncbi.nlm.nih.gov/pubmed/32839597 http://dx.doi.org/10.1038/s41592-020-0933-6 |
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| author | Nothias, Louis Felix Petras, Daniel Schmid, Robin Dührkop, Kai Rainer, Johannes Sarvepalli, Abinesh Protsyuk, Ivan Ernst, Madeleine Tsugawa, Hiroshi Fleischauer, Markus Aicheler, Fabian Aksenov, Alexander Alka, Oliver Allard, Pierre-Marie Barsch, Aiko Cachet, Xavier Caraballo, Mauricio Silva, Ricardo R. Da Dang, Tam Garg, Neha Gauglitz, Julia M. Gurevich, Alexey Isaac, Giorgis Jarmusch, Alan K. Kameník, Zdeněk Kang, Kyo Bin Kessler, Nikolas Koester, Irina Korf, Ansgar Gouellec, Audrey Le Ludwig, Marcus H., Christian Martin 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, Tomáš Quinn, Robert A. Rogers, Simon Shrestha, Bindesh Tripathi, Anupriya van der Hooft, Justin J.J. Vargas, Fernando Weldon, Kelly C. Witting, Michael Yang, Heejung Zhang, Zheng Zubeil, Florian Kohlbacher, Oliver Böcker, Sebastian Alexandrov, Theodore Bandeira, Nuno Wang, Mingxun Dorrestein, Pieter C. |
| author_facet | Nothias, Louis Felix Petras, Daniel Schmid, Robin Dührkop, Kai Rainer, Johannes Sarvepalli, Abinesh Protsyuk, Ivan Ernst, Madeleine Tsugawa, Hiroshi Fleischauer, Markus Aicheler, Fabian Aksenov, Alexander Alka, Oliver Allard, Pierre-Marie Barsch, Aiko Cachet, Xavier Caraballo, Mauricio Silva, Ricardo R. Da Dang, Tam Garg, Neha Gauglitz, Julia M. Gurevich, Alexey Isaac, Giorgis Jarmusch, Alan K. Kameník, Zdeněk Kang, Kyo Bin Kessler, Nikolas Koester, Irina Korf, Ansgar Gouellec, Audrey Le Ludwig, Marcus H., Christian Martin 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, Tomáš Quinn, Robert A. Rogers, Simon Shrestha, Bindesh Tripathi, Anupriya van der Hooft, Justin J.J. Vargas, Fernando Weldon, Kelly C. Witting, Michael Yang, Heejung Zhang, Zheng Zubeil, Florian Kohlbacher, Oliver Böcker, Sebastian Alexandrov, Theodore Bandeira, Nuno Wang, Mingxun Dorrestein, Pieter C. |
| author_sort | Nothias, Louis Felix |
| collection | PubMed |
| description | 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. The FBMN method brings quantitative analyses, isomeric resolution, including from ion-mobility spectrometry, into molecular networks. |
| format | Online Article Text |
| id | pubmed-7885687 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2020 |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-78856872021-02-24 Feature-Based Molecular Networking in the GNPS Analysis Environment Nothias, Louis Felix Petras, Daniel Schmid, Robin Dührkop, Kai Rainer, Johannes Sarvepalli, Abinesh Protsyuk, Ivan Ernst, Madeleine Tsugawa, Hiroshi Fleischauer, Markus Aicheler, Fabian Aksenov, Alexander Alka, Oliver Allard, Pierre-Marie Barsch, Aiko Cachet, Xavier Caraballo, Mauricio Silva, Ricardo R. Da Dang, Tam Garg, Neha Gauglitz, Julia M. Gurevich, Alexey Isaac, Giorgis Jarmusch, Alan K. Kameník, Zdeněk Kang, Kyo Bin Kessler, Nikolas Koester, Irina Korf, Ansgar Gouellec, Audrey Le Ludwig, Marcus H., Christian Martin 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, Tomáš Quinn, Robert A. Rogers, Simon Shrestha, Bindesh Tripathi, Anupriya van der Hooft, Justin J.J. Vargas, Fernando Weldon, Kelly C. Witting, Michael Yang, Heejung Zhang, Zheng Zubeil, Florian Kohlbacher, Oliver Böcker, Sebastian Alexandrov, Theodore Bandeira, Nuno Wang, Mingxun Dorrestein, Pieter C. Nat Methods Article 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. The FBMN method brings quantitative analyses, isomeric resolution, including from ion-mobility spectrometry, into molecular networks. 2020-08-24 2020-09 /pmc/articles/PMC7885687/ /pubmed/32839597 http://dx.doi.org/10.1038/s41592-020-0933-6 Text en Users may view, print, copy, and download text and data-mine the content in such documents, for the purposes of academic research, subject always to the full Conditions of use:http://www.nature.com/authors/editorial_policies/license.html#terms |
| spellingShingle | Article Nothias, Louis Felix Petras, Daniel Schmid, Robin Dührkop, Kai Rainer, Johannes Sarvepalli, Abinesh Protsyuk, Ivan Ernst, Madeleine Tsugawa, Hiroshi Fleischauer, Markus Aicheler, Fabian Aksenov, Alexander Alka, Oliver Allard, Pierre-Marie Barsch, Aiko Cachet, Xavier Caraballo, Mauricio Silva, Ricardo R. Da Dang, Tam Garg, Neha Gauglitz, Julia M. Gurevich, Alexey Isaac, Giorgis Jarmusch, Alan K. Kameník, Zdeněk Kang, Kyo Bin Kessler, Nikolas Koester, Irina Korf, Ansgar Gouellec, Audrey Le Ludwig, Marcus H., Christian Martin 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, Tomáš Quinn, Robert A. Rogers, Simon Shrestha, Bindesh Tripathi, Anupriya van der Hooft, Justin J.J. Vargas, Fernando Weldon, Kelly C. Witting, Michael Yang, Heejung Zhang, Zheng Zubeil, Florian Kohlbacher, Oliver Böcker, Sebastian Alexandrov, Theodore Bandeira, Nuno Wang, Mingxun Dorrestein, Pieter C. Feature-Based Molecular Networking in the GNPS Analysis Environment |
| title | Feature-Based Molecular Networking in the GNPS Analysis Environment |
| title_full | Feature-Based Molecular Networking in the GNPS Analysis Environment |
| title_fullStr | Feature-Based Molecular Networking in the GNPS Analysis Environment |
| title_full_unstemmed | Feature-Based Molecular Networking in the GNPS Analysis Environment |
| title_short | Feature-Based Molecular Networking in the GNPS Analysis Environment |
| title_sort | feature-based molecular networking in the gnps analysis environment |
| topic | Article |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7885687/ https://www.ncbi.nlm.nih.gov/pubmed/32839597 http://dx.doi.org/10.1038/s41592-020-0933-6 |
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