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Reproducible molecular networking of untargeted mass spectrometry data using GNPS
Reproducible molecular networking of untargeted mass spectrometry data using GNPS
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Reproducible molecular networking of untargeted mass spectrometry data using GNPS

Aron, Allegra T ; Gentry, Emily C ; McPhail, Kerry L ; Nothias, Louis-Félix ; Nothias-Esposito, Mélissa ; Bouslimani, Amina ; Petras, Daniel ; Gauglitz, Julia M ; Sikora, Nicole ; Vargas, Fernando ; van der Hooft, Justin J J ; Ernst, Madeleine ; Kang, Kyo Bin ; Aceves, Christine M ; Caraballo-Rodríguez, Andrés Mauricio ; Koester, Irina ; Weldon, Kelly C ; Bertrand, Samuel ; Roullier, Catherine ; Sun, Kunyang ; Tehan, Richard M ; Boya P, Cristopher A ; Christian, Martin H ; Gutiérrez, Marcelino ; Ulloa, Aldo Moreno ; Tejeda Mora, Javier Andres ; Mojica-Flores, Randy ; Lakey-Beitia, Johant ; Vásquez-Chaves, Victor ; Zhang, Yilue ; Calderón, Angela I ; Tayler, Nicole ; Keyzers, Robert A ; Tugizimana, Fidele ; Ndlovu, Nombuso ; Aksenov, Alexander A ; Jarmusch, Alan K ; Schmid, Robin ; Truman, Andrew W ; Bandeira, Nuno ; Wang, Mingxun ; Dorrestein, Pieter C

Nature protocols, 2020-06, Vol.15 (6), p.1954-1991 [Peer Reviewed Journal]

England: Nature Publishing Group

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2
Electron-activated dissociation (EAD) for the complementary annotation of metabolites and lipids through data-dependent acquisition analysis and feature-based molecular networking, applied to the sentinel amphipod Gammarus fossarum
Electron-activated dissociation (EAD) for the complementary annotation of metabolites and lipids through data-dependent acquisition analysis and feature-based molecular networking, applied to the sentinel amphipod Gammarus fossarum
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Electron-activated dissociation (EAD) for the complementary annotation of metabolites and lipids through data-dependent acquisition analysis and feature-based molecular networking, applied to the sentinel amphipod Gammarus fossarum

Calabrese, Valentina ; Brunet, Thomas Alexandre ; Degli-Esposti, Davide ; Chaumot, Arnaud ; Geffard, Olivier ; Salvador, Arnaud ; Clément, Yohann ; Ayciriex, Sophie

Analytical and bioanalytical chemistry, 2024-05, Vol.416 (12), p.2893-2911 [Peer Reviewed Journal]

Berlin/Heidelberg: Springer Berlin Heidelberg

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3
Propagating annotations of molecular networks using in silico fragmentation
Propagating annotations of molecular networks using in silico fragmentation
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Propagating annotations of molecular networks using in silico fragmentation

da Silva, Ricardo R ; Wang, Mingxun ; Nothias, Louis-Félix ; van der Hooft, Justin J J ; Caraballo-Rodríguez, Andrés Mauricio ; Fox, Evan ; Balunas, Marcy J ; Klassen, Jonathan L ; Lopes, Norberto Peporine ; Dorrestein, Pieter C Schlessinger, Avner

PLoS computational biology, 2018-04, Vol.14 (4), p.e1006089-e1006089 [Peer Reviewed Journal]

United States: Public Library of Science

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4
MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools
MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools
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MolNetEnhancer: Enhanced Molecular Networks by Integrating Metabolome Mining and Annotation Tools

Ernst, Madeleine ; Kang, Kyo Bin ; Caraballo-Rodríguez, Andrés Mauricio ; Nothias, Louis-Felix ; Wandy, Joe ; Chen, Christopher ; Wang, Mingxun ; Rogers, Simon ; Medema, Marnix H ; Dorrestein, Pieter C ; van der Hooft, Justin J J

Metabolites, 2019-07, Vol.9 (7), p.144 [Peer Reviewed Journal]

Switzerland: MDPI AG

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5
UHPLC-Q-Exactive Orbitrap MS/MS-Based Untargeted Metabolomics and Molecular Networking Reveal the Differential Chemical Constituents of the Bulbs and Flowers of Fritillaria thunbergii
UHPLC-Q-Exactive Orbitrap MS/MS-Based Untargeted Metabolomics and Molecular Networking Reveal the Differential Chemical Constituents of the Bulbs and Flowers of Fritillaria thunbergii
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UHPLC-Q-Exactive Orbitrap MS/MS-Based Untargeted Metabolomics and Molecular Networking Reveal the Differential Chemical Constituents of the Bulbs and Flowers of Fritillaria thunbergii

Li, Xin ; Wang, Pan ; Tong, Yingpeng ; Liu, Jie ; Shu, Guowei

Molecules (Basel, Switzerland), 2022-10, Vol.27 (20), p.6944 [Peer Reviewed Journal]

Basel: MDPI AG

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6
Annotation of natural product compound families using molecular networking topology and structural similarity fingerprinting
Annotation of natural product compound families using molecular networking topology and structural similarity fingerprinting
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Annotation of natural product compound families using molecular networking topology and structural similarity fingerprinting

Morehouse, Nicholas J ; Clark, Trevor N ; McMann, Emily J ; van Santen, Jeffrey A ; Haeckl, F P Jake ; Gray, Christopher A ; Linington, Roger G

Nature communications, 2023-01, Vol.14 (1), p.308-308, Article 308 [Peer Reviewed Journal]

England: Nature Publishing Group

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7
Feature-based molecular networking in the GNPS analysis environment
Feature-based molecular networking in the GNPS analysis environment
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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, Zdeněk ; 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, 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

Nature methods, 2020-09, Vol.17 (9), p.905-908 [Peer Reviewed Journal]

United States: Nature Publishing Group

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8
Chemical Proportionality within Molecular Networks
Chemical Proportionality within Molecular Networks
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Chemical Proportionality within Molecular Networks

Petras, Daniel ; Caraballo-Rodríguez, Andrés Mauricio ; Jarmusch, Alan K ; Molina-Santiago, Carlos ; Gauglitz, Julia M ; Gentry, Emily C ; Belda-Ferre, Pedro ; Romero, Diego ; Tsunoda, Shirley M ; Dorrestein, Pieter C ; Wang, Mingxun

Analytical chemistry (Washington), 2021-09, Vol.93 (38), p.12833-12839 [Peer Reviewed Journal]

Washington: American Chemical Society

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9
MS/MS-Based Molecular Networking: An Efficient Approach for Natural Products Dereplication
MS/MS-Based Molecular Networking: An Efficient Approach for Natural Products Dereplication
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MS/MS-Based Molecular Networking: An Efficient Approach for Natural Products Dereplication

Qin, Guo-Fei ; Zhang, Xiao ; Zhu, Feng ; Huo, Zong-Qing ; Yao, Qing-Qiang ; Feng, Qun ; Liu, Zhong ; Zhang, Gui-Min ; Yao, Jing-Chun ; Liang, Hong-Bao

Molecules (Basel, Switzerland), 2022-12, Vol.28 (1), p.157 [Peer Reviewed Journal]

Switzerland: MDPI AG

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10
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment
Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment
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Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

Schmid, Robin ; Petras, Daniel ; Nothias, Louis-Félix ; Wang, Mingxun ; Aron, Allegra T ; Jagels, Annika ; Tsugawa, Hiroshi ; Rainer, Johannes ; Garcia-Aloy, Mar ; Dührkop, Kai ; Korf, Ansgar ; Pluskal, Tomáš ; Kameník, Zdeněk ; Jarmusch, Alan K ; Caraballo-Rodríguez, Andrés Mauricio ; Weldon, Kelly C ; Nothias-Esposito, Melissa ; Aksenov, Alexander A ; Bauermeister, Anelize ; Albarracin Orio, Andrea ; Grundmann, Carlismari O ; Vargas, Fernando ; Koester, Irina ; Gauglitz, Julia M ; Gentry, Emily C ; Hövelmann, Yannick ; Kalinina, Svetlana A ; Pendergraft, Matthew A ; Panitchpakdi, Morgan ; Tehan, Richard ; Le Gouellec, Audrey ; Aleti, Gajender ; Mannochio Russo, Helena ; Arndt, Birgit ; Hübner, Florian ; Hayen, Heiko ; Zhi, Hui ; Raffatellu, Manuela ; Prather, Kimberly A ; Aluwihare, Lihini I ; Böcker, Sebastian ; McPhail, Kerry L ; Humpf, Hans-Ulrich ; Karst, Uwe ; Dorrestein, Pieter C

Nature communications, 2021-06, Vol.12 (1), p.3832-3832, Article 3832 [Peer Reviewed Journal]

England: Nature Publishing Group

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