Ion Identity Molecular Networking in the GNPS Environment

Molecular networking connects tandem mass spectra of molecules based on the similarity of their fragmentation patterns. However, during ionization, molecules commonly form multiple ion species with different fragmentation behavior. To connect ion species of the same molecule, we developed Ion Identity Molecular Networking. These new relationships improve network connectivity, are shown to reveal novel ion-ligand complexes, enhance annotation within molecular networks, and facilitate the expansion of spectral libraries.

Fil: Schmid, Robin. University Of Munster; Alemania

Fil: Petras, Daniel. University Of California At San Diego. Skaggs School Of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center.; Estados Unidos

Fil: Nothias, Louis Félix. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Wang, Mingxun. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Aron, Allegra T.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Jagels, Annika. University of Munster; Alemania

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Fil: Garcia-Aloy, Mar. University of Lübeck; Italia

Fil: Dührkop, Kai. Universitat Jena; Alemania

Fil: Korf, Ansgar. University of Munster; Alemania

Fil: Pluskal, Tomáš. Czech Academy of Sciences; República Checa

Fil: Kameník, Zdeněk. Czech Academy of Sciences; República Checa

Fil: Jarmusch, Alan K.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Caraballo Rodríguez, Andrés Mauricio. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Weldon, Kelly. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Nothias Esposito, Melissa. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Aksenov, Alexander A.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Bauermeister, Anelize. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Albarracín Orio, Andrea Georgina. Universidad Católica de Córdoba. Instituto de Investigaciones en Recursos Naturales y Sustentabilidad José Sanchez Labrador S. J. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Recursos Naturales y Sustentabilidad José Sanchez Labrador S. J.; Argentina

Fil: Grundmann, Carlismari O.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Vargas, Fernando. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Koester, Irina. University of California at San Diego; Estados Unidos

Fil: Gauglitz, Julia M.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Gentry, Emily C.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Hövelmann, Yannick. University of Munster; Alemania

Fil: Kalinina, Svetlana A.. University of Munster; Alemania

Fil: Pendergraft, Matthew A.. University of California at San Diego; Estados Unidos

Fil: Panitchpakdi, Morgan W.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Tehan, Richard. Oregon State University; Estados Unidos

Fil: Le Gouellec, Audrey. Universite Grenoble Alpes; Francia. Centre National de la Recherche Scientifique; Francia

Fil: Aleti, Gajender. University of California at San Diego; Estados Unidos

Fil: Mannochio Russo, Helena. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos

Fil: Arndt, Birgit. University of Munster; Alemania

Fil: Hübner, Florian. University of Munster; Alemania

Fil: Hayen, Heiko. University of Munster; Alemania

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Fil: Raffatellu, Manuela. University of California at San Diego; Estados Unidos

Fil: Prather, Kimberly A.. University of California at San Diego; Estados Unidos

Fil: Aluwihare, Lihini I.. University of California at San Diego; Estados Unidos

Fil: Böcker, Sebastian. Friedrich-Schiller-University, Jena; Alemania

Fil: McPhail, Kerry L.. State University of Oregon; Estados Unidos

Fil: Humpf, Hans-Ulrich. University of Munster; Alemania

Fil: Karst, Uwe. University of Munster; Francia

Fil: Dorrestein, Pieter. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos