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dc.contributor.author
Schmid, Robin
dc.contributor.author
Petras, Daniel
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dc.contributor.author
Nothias, Louis Félix
dc.contributor.author
Wang, Mingxun
dc.contributor.author
Aron, Allegra T.
dc.contributor.author
Jagels, Annika
dc.contributor.author
Tsugawa, Hiroshi
dc.contributor.author
Rainer, Johannes
dc.contributor.author
Garcia-Aloy, Mar
dc.contributor.author
Dührkop, Kai
dc.contributor.author
Korf, Ansgar
dc.contributor.author
Pluskal, Tomáš
dc.contributor.author
Kameník, Zdeněk
dc.contributor.author
Jarmusch, Alan K.
dc.contributor.author
Caraballo Rodríguez, Andrés Mauricio
dc.contributor.author
Weldon, Kelly
dc.contributor.author
Nothias Esposito, Melissa
dc.contributor.author
Aksenov, Alexander A.
dc.contributor.author
Bauermeister, Anelize
dc.contributor.author
Albarracín Orio, Andrea Georgina
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dc.contributor.author
Grundmann, Carlismari O.
dc.contributor.author
Vargas, Fernando
dc.contributor.author
Koester, Irina
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Gauglitz, Julia M.
dc.contributor.author
Gentry, Emily C.
dc.contributor.author
Hövelmann, Yannick
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Kalinina, Svetlana A.
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Pendergraft, Matthew A.
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Panitchpakdi, Morgan W.
dc.contributor.author
Tehan, Richard
dc.contributor.author
Le Gouellec, Audrey
dc.contributor.author
Aleti, Gajender
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Mannochio Russo, Helena
dc.contributor.author
Arndt, Birgit
dc.contributor.author
Hübner, Florian
dc.contributor.author
Hayen, Heiko
dc.contributor.author
Zhi, Hui
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Raffatellu, Manuela
dc.contributor.author
Prather, Kimberly A.
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Aluwihare, Lihini I.
dc.contributor.author
Böcker, Sebastian
dc.contributor.author
McPhail, Kerry L.
dc.contributor.author
Humpf, Hans-Ulrich
dc.contributor.author
Karst, Uwe
dc.contributor.author
Dorrestein, Pieter
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dc.date.available
2021-09-23T16:07:00Z
dc.date.issued
2020-05-13
dc.identifier.citation
Schmid, Robin; Petras, Daniel; Nothias, Louis Félix; Wang, Mingxun; Aron, Allegra T.; et al.; Ion Identity Molecular Networking in the GNPS Environment; Nature; Nature Communications; -; -; 13-5-2020; 1-20
dc.identifier.uri
http://hdl.handle.net/11336/141373
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Nature
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by/2.5/ar/
dc.subject
METABOLOMICS
dc.subject
NATURAL PRODUCTS
dc.subject
MOLECULAR NETWORKING
dc.subject
BIOINFORMATICS
dc.subject.classification
Otras Ciencias Químicas
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Ion Identity Molecular Networking in the GNPS Environment
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2021-09-06T16:08:45Z
dc.identifier.eissn
1943-0264
dc.journal.volume
-
dc.journal.number
-
dc.journal.pagination
1-20
dc.journal.pais
Estados Unidos
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dc.journal.ciudad
Nueva York
dc.description.fil
Fil: Schmid, Robin. University Of Munster; Alemania
dc.description.fil
Fil: Petras, Daniel. University Of California At San Diego. Skaggs School Of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center.; Estados Unidos
dc.description.fil
Fil: Nothias, Louis Félix. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Wang, Mingxun. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Aron, Allegra T.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Jagels, Annika. University of Munster; Alemania
dc.description.fil
Fil: Tsugawa, Hiroshi. RIKEN Center for Sustainable Resource Science; Japón
dc.description.fil
Fil: Rainer, Johannes. University of Lübeck; Italia
dc.description.fil
Fil: Garcia-Aloy, Mar. University of Lübeck; Italia
dc.description.fil
Fil: Dührkop, Kai. Universitat Jena; Alemania
dc.description.fil
Fil: Korf, Ansgar. University of Munster; Alemania
dc.description.fil
Fil: Pluskal, Tomáš. Czech Academy of Sciences; República Checa
dc.description.fil
Fil: Kameník, Zdeněk. Czech Academy of Sciences; República Checa
dc.description.fil
Fil: Jarmusch, Alan K.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Caraballo Rodríguez, Andrés Mauricio. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Weldon, Kelly. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Nothias Esposito, Melissa. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Aksenov, Alexander A.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Bauermeister, Anelize. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
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
dc.description.fil
Fil: Grundmann, Carlismari O.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Vargas, Fernando. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Koester, Irina. University of California at San Diego; Estados Unidos
dc.description.fil
Fil: Gauglitz, Julia M.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Gentry, Emily C.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Hövelmann, Yannick. University of Munster; Alemania
dc.description.fil
Fil: Kalinina, Svetlana A.. University of Munster; Alemania
dc.description.fil
Fil: Pendergraft, Matthew A.. University of California at San Diego; Estados Unidos
dc.description.fil
Fil: Panitchpakdi, Morgan W.. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Tehan, Richard. Oregon State University; Estados Unidos
dc.description.fil
Fil: Le Gouellec, Audrey. Universite Grenoble Alpes; Francia. Centre National de la Recherche Scientifique; Francia
dc.description.fil
Fil: Aleti, Gajender. University of California at San Diego; Estados Unidos
dc.description.fil
Fil: Mannochio Russo, Helena. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.description.fil
Fil: Arndt, Birgit. University of Munster; Alemania
dc.description.fil
Fil: Hübner, Florian. University of Munster; Alemania
dc.description.fil
Fil: Hayen, Heiko. University of Munster; Alemania
dc.description.fil
Fil: Zhi, Hui. University of California at San Diego; Estados Unidos
dc.description.fil
Fil: Raffatellu, Manuela. University of California at San Diego; Estados Unidos
dc.description.fil
Fil: Prather, Kimberly A.. University of California at San Diego; Estados Unidos
dc.description.fil
Fil: Aluwihare, Lihini I.. University of California at San Diego; Estados Unidos
dc.description.fil
Fil: Böcker, Sebastian. Friedrich-Schiller-University, Jena; Alemania
dc.description.fil
Fil: McPhail, Kerry L.. State University of Oregon; Estados Unidos
dc.description.fil
Fil: Humpf, Hans-Ulrich. University of Munster; Alemania
dc.description.fil
Fil: Karst, Uwe. University of Munster; Francia
dc.description.fil
Fil: Dorrestein, Pieter. University of California at San Diego. Skaggs School of Pharmacy & Pharmaceutical Sciences. Collaborative Mass Spectrometry Innovation Center; Estados Unidos
dc.journal.title
Nature Communications
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1101/2020.05.11.088948
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.nature.com/articles/s41467-021-23953-9
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