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

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversity of Münster-
Autor(es): dc.contributorLa Jolla-
Autor(es): dc.contributorUniversity of California San Diego-
Autor(es): dc.contributorUniversity of Tübingen-
Autor(es): dc.contributorRIKEN Center for Sustainable Resource Science-
Autor(es): dc.contributorRIKEN Center for Integrative Medical Sciences-
Autor(es): dc.contributorTokyo University of Agriculture and Technology-
Autor(es): dc.contributorAffiliated Institute of the University of Lübeck-
Autor(es): dc.contributorFriedrich-Schiller-University-
Autor(es): dc.contributorCzech Academy of Sciences-
Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.contributorFacultad de Ciencias Agropecuarias-
Autor(es): dc.contributorOregon State University-
Autor(es): dc.contributorTIMC-IMAG-
Autor(es): dc.contributorUniversidade Estadual Paulista (UNESP)-
Autor(es): dc.contributorAllergy and Vaccines (CU-UCSD cMAV)-
Autor(es): dc.creatorSchmid, Robin-
Autor(es): dc.creatorPetras, Daniel-
Autor(es): dc.creatorNothias, Louis-Félix-
Autor(es): dc.creatorWang, Mingxun-
Autor(es): dc.creatorAron, Allegra T.-
Autor(es): dc.creatorJagels, Annika-
Autor(es): dc.creatorTsugawa, Hiroshi-
Autor(es): dc.creatorRainer, Johannes-
Autor(es): dc.creatorGarcia-Aloy, Mar-
Autor(es): dc.creatorDührkop, Kai-
Autor(es): dc.creatorKorf, Ansgar-
Autor(es): dc.creatorPluskal, Tomáš-
Autor(es): dc.creatorKameník, Zdeněk-
Autor(es): dc.creatorJarmusch, Alan K.-
Autor(es): dc.creatorCaraballo-Rodríguez, Andrés Mauricio-
Autor(es): dc.creatorWeldon, Kelly C.-
Autor(es): dc.creatorNothias-Esposito, Melissa-
Autor(es): dc.creatorAksenov, Alexander A.-
Autor(es): dc.creatorBauermeister, Anelize-
Autor(es): dc.creatorAlbarracin Orio, Andrea-
Autor(es): dc.creatorGrundmann, Carlismari O.-
Autor(es): dc.creatorVargas, Fernando-
Autor(es): dc.creatorKoester, Irina-
Autor(es): dc.creatorGauglitz, Julia M.-
Autor(es): dc.creatorGentry, Emily C.-
Autor(es): dc.creatorHövelmann, Yannick-
Autor(es): dc.creatorKalinina, Svetlana A.-
Autor(es): dc.creatorPendergraft, Matthew A.-
Autor(es): dc.creatorPanitchpakdi, Morgan-
Autor(es): dc.creatorTehan, Richard-
Autor(es): dc.creatorLe Gouellec, Audrey-
Autor(es): dc.creatorAleti, Gajender-
Autor(es): dc.creatorMannochio Russo, Helena [UNESP]-
Autor(es): dc.creatorArndt, Birgit-
Autor(es): dc.creatorHübner, Florian-
Autor(es): dc.creatorHayen, Heiko-
Autor(es): dc.creatorZhi, Hui-
Autor(es): dc.creatorRaffatellu, Manuela-
Autor(es): dc.creatorPrather, Kimberly A.-
Autor(es): dc.creatorAluwihare, Lihini I.-
Autor(es): dc.creatorBöcker, Sebastian-
Autor(es): dc.creatorMcPhail, Kerry L.-
Autor(es): dc.creatorHumpf, Hans-Ulrich-
Autor(es): dc.creatorKarst, Uwe-
Autor(es): dc.creatorDorrestein, Pieter C.-
Data de aceite: dc.date.accessioned2022-08-04T22:09:54Z-
Data de disponibilização: dc.date.available2022-08-04T22:09:54Z-
Data de envio: dc.date.issued2022-04-28-
Data de envio: dc.date.issued2022-04-28-
Data de envio: dc.date.issued2021-11-30-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1038/s41467-021-23953-9-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/221817-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/221817-
Descrição: dc.descriptionMolecular networking connects 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. As a result, the fragmentation spectra of these ion species often remain unconnected in tandem mass spectrometry-based molecular networks, leading to redundant and disconnected sub-networks of the same compound classes. To overcome this bottleneck, we develop Ion Identity Molecular Networking (IIMN) that integrates chromatographic peak shape correlation analysis into molecular networks to connect and collapse different ion species of the same molecule. The new feature relationships improve network connectivity for structurally related molecules, can be used to reveal unknown ion-ligand complexes, enhance annotation within molecular networks, and facilitate the expansion of spectral reference libraries. IIMN is integrated into various open source feature finding tools and the GNPS environment. Moreover, IIMN-based spectral libraries with a broad coverage of ion species are publicly available.-
Descrição: dc.descriptionNational Institute of General Medical Sciences-
Descrição: dc.descriptionInstitute of Inorganic and Analytical Chemistry University of Münster-
Descrição: dc.descriptionSkaggs School of Pharmacy and Pharmaceutical Sciences University of California San Diego La Jolla-
Descrição: dc.descriptionScripps Institution of Oceanography University of California San Diego-
Descrição: dc.descriptionCMFI Cluster of Excellence Interfaculty Institute of Microbiology and Medicine University of Tübingen-
Descrição: dc.descriptionInstitute of Food Chemistry University of Münster-
Descrição: dc.descriptionRIKEN Center for Sustainable Resource Science-
Descrição: dc.descriptionRIKEN Center for Integrative Medical Sciences-
Descrição: dc.descriptionDepartment of Biotechnology and Life Science Tokyo University of Agriculture and Technology-
Descrição: dc.descriptionInstitute for Biomedicine Eurac Research Affiliated Institute of the University of Lübeck-
Descrição: dc.descriptionChair for Bioinformatics Friedrich-Schiller-University-
Descrição: dc.descriptionInstitute of Organic Chemistry and Biochemistry Czech Academy of Sciences-
Descrição: dc.descriptionInstitute of Microbiology Czech Academy of Sciences-
Descrição: dc.descriptionCollaborative Mass Spectrometry Innovation Center University of California San Diego La Jolla-
Descrição: dc.descriptionInstitute of Biomedical Sciences Universidade de São Paulo-
Descrição: dc.descriptionIRNASUS Universidad Católica de Córdoba CONICET Facultad de Ciencias Agropecuarias-
Descrição: dc.descriptionSchool of Pharmaceutical Sciences of Ribeirão Preto Universidade de São Paulo-
Descrição: dc.descriptionDepartment of Pharmaceutical Sciences College of Pharmacy Oregon State University-
Descrição: dc.descriptionUniv. Grenoble Alpes CNRS Grenoble INP CHU Grenoble Alpes TIMC-IMAG-
Descrição: dc.descriptionDepartment of Psychiatry University of California San Diego-
Descrição: dc.descriptionNuBBE Institute of Chemistry São Paulo State University (UNESP)-
Descrição: dc.descriptionDivision of Host-Microbe Systems & Therapeutics Department of Pediatrics University of California San Diego-
Descrição: dc.descriptionChiba University-UC San Diego Center for Mucosal Immunology Allergy and Vaccines (CU-UCSD cMAV)-
Descrição: dc.descriptionNuBBE Institute of Chemistry São Paulo State University (UNESP)-
Descrição: dc.descriptionNational Institute of General Medical Sciences: P41 GM103484-
Descrição: dc.descriptionNational Institute of General Medical Sciences: R01 GM107550-
Descrição: dc.descriptionNational Institute of General Medical Sciences: R03 CA211211-
Idioma: dc.languageen-
Relação: dc.relationNature Communications-
???dc.source???: dc.sourceScopus-
Título: dc.titleIon identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment-
Tipo de arquivo: dc.typelivro digital-
Aparece nas coleções:Repositório Institucional - Unesp

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