Alnus specialized subsp. metabolites ...
Zenodo, 2020
academicJournal
Zugriff:
2.1. MS/MS analysis and annotation of Alnus specialized metabolites The LC –MS/MS analysis revealed that the 15 Alnus extracts are different in their specialized metabolite contents, in both a qualitative and quantitative manner (Fig. 1). As a first step of the digitized data analysis, 531 mass features were extracted from the entire dataset by MZmine2-based preprocessing, then the feature table, metadata, and extracted MS/MS spectral.mgf files were uploaded to the GNPS MS/MS molecular networking workflow (Nothias et al., 2019). MS/MS molecular networking organized them into a network consisting of 33 molecular families (two or more connected nodes of a graph (Nguyen et al., 2013)) and 268 singletons (nodes not having any molecular relatives). Two types of metadata related to spectral sources, plant species and plant parts, were visualized upon the molecular network. Both species-mapping (Fig. S1, Supplementary Data) and plant parts-mapping (Fig. 2) visualized that many metabolites in certain molecular ... : Published as part of Kang, Kyo Bin, Woo, Sunmin, Ernst, Madeleine, van der Hooft, Justin J. J., Nothias, Louis-Félix, da Silva, Ricardo R., Dorrestein, Pieter C., Sung, Sang Hyun & Lee, Mina, 2020, Assessing specialized metabolite diversity of Alnus species by a digitized LC-MS / MS data analysis workflow, pp. 1-10 in Phytochemistry (112292) (112292) 173 on pages 2-3, DOI: 10.1016/j.phytochem.2020.112292, http://zenodo.org/record/8294564 ...