Ion Identity Molecular Networking in the GNPS Environment

dc.creatorSchmid, Robin
dc.creatorPetras, Daniel
dc.creatorNothias, Louis Félix
dc.creatorWang, Mingxun
dc.creatorAron, Allegra T.
dc.creatorJagels, Annika
dc.creatorTsugawa, Hiroshi
dc.creatorRainer, Johannes
dc.creatorGarcia-Aloy, Mar
dc.creatorDührkop, Kai
dc.creatorKorf, Ansgar
dc.creatorPluskal, Tomáš
dc.creatorKameník, Zdeněk
dc.creatorJarmusch, Alan K.
dc.creatorCaraballo Rodríguez, Andrés Mauricio
dc.creatorWeldon, Kelly
dc.creatorNothias Esposito, Melissa
dc.creatorAksenov, Alexander A.
dc.creatorBauermeister, Anelize
dc.creatorAlbarracín Orio, Andrea Georgina
dc.creatorGrundmann, Carlismari O.
dc.creatorVargas, Fernando
dc.creatorKoester, Irina
dc.creatorGauglitz, Julia M.
dc.creatorGentry, Emily C.
dc.creatorHövelmann, Yannick
dc.creatorKalinina, Svetlana A.
dc.creatorPendergraft, Matthew A.
dc.creatorPanitchpakdi, Morgan W.
dc.creatorTehan, Richard
dc.creatorLe Gouellec, Audrey
dc.creatorAleti, Gajender
dc.creatorMannochio Russo, Helena
dc.creatorArndt, Birgit
dc.creatorHübner, Florian
dc.creatorHayen, Heiko
dc.creatorZhi, Hui
dc.creatorRaffatellu, Manuela
dc.creatorPrather, Kimberly A.
dc.creatorAluwihare, Lihini I.
dc.creatorBöcker, Sebastian
dc.creatorMcPhail, Kerry L.
dc.creatorHumpf, Hans-Ulrich
dc.creatorKarst, Uwe
dc.creatorDorrestein, Pieter
dc.date.accessioned2021-09-23T16:07:00Z
dc.date.accessioned2022-10-15T16:05:20Z
dc.date.available2021-09-23T16:07:00Z
dc.date.available2022-10-15T16:05:20Z
dc.date.created2021-09-23T16:07:00Z
dc.date.issued2020-05-13
dc.identifierSchmid, 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.identifierhttp://hdl.handle.net/11336/141373
dc.identifier1943-0264
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4406748
dc.description.abstractMolecular 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.languageeng
dc.publisherNature
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1101/2020.05.11.088948
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://www.nature.com/articles/s41467-021-23953-9
dc.rightshttps://creativecommons.org/licenses/by/2.5/ar/
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectMETABOLOMICS
dc.subjectNATURAL PRODUCTS
dc.subjectMOLECULAR NETWORKING
dc.subjectBIOINFORMATICS
dc.titleIon Identity Molecular Networking in the GNPS Environment
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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