Two-dimensional principal component analysis (PCA) of metabolite quantities obtained using LC/DFI-MS/MS-based profiling. Results are presented as scores (A) and loadings (B) plots. The percent variance accounted for by each principal component (PC) is indicated. For the scores plot, each dot represents a one of four replicates analyzed per plant species. Areas enclosed by 95 % confidence ellipses, containing dots of the same color, define statistically significant class separations [34]. Species abbreviations are defined in Table 1. Loadings representing individual metabolites are shown as black dots (B). Metabolites are indicated for select loadings. A complete listing of loadings data is found in Additional file 16. Abbreviations: C, acylcarnitine; SM, sphingomyelin; PC, phosphatidylcholine; aa, diacyl; ae, acyl-ester. A complete listing of full compound names and abbreviations is available online: http://www.biocrates.com/products/research-products/absoluteidq-p150-kit . (PDF 1591 kb
