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Sodium adduct formation with graph-based machine learning can aid structural elucidation in non-targeted LC/ESI/HRMS.
Costalunga, Riccardo; Tshepelevitsh, Sofja; Sepman, Helen; Kull, Meelis; Kruve, Anneli.
Afiliación
  • Costalunga R; Department of Materials and Environmental Chemistry, Stockholm University, Svante Arrhenius väg 16, 106 91, Stockholm, Sweden; Department of Food and Drug, University of Parma, via Università, 12, I 43121, Parma, Italy.
  • Tshepelevitsh S; Institute of Chemistry, University of Tartu, Ravila 14a, Tartu, 50411, Estonia.
  • Sepman H; Department of Materials and Environmental Chemistry, Stockholm University, Svante Arrhenius väg 16, 106 91, Stockholm, Sweden.
  • Kull M; Institute of Computer Science, University of Tartu, Narva mnt 18, 51009, Tartu, Estonia.
  • Kruve A; Department of Materials and Environmental Chemistry, Stockholm University, Svante Arrhenius väg 16, 106 91, Stockholm, Sweden. Electronic address: anneli.kruve@ut.ee.
Anal Chim Acta ; 1204: 339402, 2022 Apr 29.
Article en En | MEDLINE | ID: mdl-35397906
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Sodio / Espectrometría de Masa por Ionización de Electrospray Tipo de estudio: Prognostic_studies Idioma: En Revista: Anal Chim Acta Año: 2022 Tipo del documento: Article País de afiliación: Italia
Texto completo
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XML
PubMed Links
Buscar en Google

Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Sodio / Espectrometría de Masa por Ionización de Electrospray Tipo de estudio: Prognostic_studies Idioma: En Revista: Anal Chim Acta Año: 2022 Tipo del documento: Article País de afiliación: Italia