Fig. 4 in Assessing specialized metabolite diversity of Alnus species by a digitized LC-MS/MS data analysis workflow

Fig. 4. Discrimination of the analyzed Alnus extracts into chemogroups. The analyzed extracts can be discriminated into three chemogroups by visualizing the CSCS distance metric between samples as PCoA plot (A) and chemical dendrogram (B). On the other hand, conventional methods such as PCA score plot (C) or hierarchical clustering analysis (HCA) using the Euclidean distance (D; chemogroups 1–3 are visualized with same colors used in B to make it easy to be compared) could not discriminate the samples into the same chemotypes. By mapping the chemogrouping of samples on the molecular network, it could be visualized that the three chemogroups were rich in diarylheptanoid, flavonoid, and tannins, respectively (E). (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)