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Hierarchical clustering of MS/MS spectra from the firefly metabolome identifies new lucibufagin compounds

Metabolite identification is the greatest challenge when analysing metabolomics data, as only a small proportion of metabolite reference standards exist. Clustering MS/MS spectra is a common method to identify similar compounds, however interrogation of underlying signature fragmentation patterns wi...

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Detalles Bibliográficos
Autores principales: Rawlinson, Catherine, Jones, Darcy, Rakshit, Suman, Meka, Shiv, Moffat, Caroline S., Moolhuijzen, Paula
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7142086/
https://www.ncbi.nlm.nih.gov/pubmed/32269256
http://dx.doi.org/10.1038/s41598-020-63036-1