Yannick Hövelmann, Tomáš Pluskal, Matthew A. Pendergraft, Fernando Vargas, Kelly C. Weldon, Mélissa Nothias-Esposito, Irina Koester, Daniel Petras, Manuela Raffatellu, Mar Garcia-Aloy, Mingxun Wang, Gajender Aleti, Florian Hübner, Andrés Mauricio Caraballo-Rodríguez, Andrea Georgina Albarracín Orio, Hiroshi Tsugawa, Helena Mannochio Russo, Heiko Hayen, Julia M. Gauglitz, Richard M. Tehan, Hui Zhi, Grundmann Co, Johannes Rainer, Alan K. Jarmusch, Louis-Félix Nothias, Zdeněk Kameník, Birgit Arndt, Hans-Ulrich Humpf, Alexander A. Aksenov, Anelize Bauermeister, Morgan Panitchpakdi, Le Gouellec A, Uwe Karst, Allegra T. Aron, Emily C. Gentry, Svetlana A. Kalinina, Pieter C. Dorrestein, Kimberly A. Prather, Sebastian Böcker, Ansgar Korf, Robin Schmid, Kerry L. McPhail, Annika Jagels, Lihini I. Aluwihare, and Kai Dührkop
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 Fil: Tsugawa, Hiroshi. RIKEN Center for Sustainable Resource Science; Japón Fil: Rainer, Johannes. University of Lübeck; Italia 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 Fil: Zhi, Hui. University of California at San Diego; Estados Unidos 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