Fig. 3

Comprehensive molecular composition analysis in pearl millet (PM) lines: unraveling variations across compartments. A Bar graph showing the distribution of CHO, CHNO, and CHOS compounds in the shoot, root, and root-adhering soil “RAS” compartments of the four PM lines (L220, L3, L253, and L132), as well as in the bulk soil “BS.” B H/C versus O/C van Krevelen diagrams depicting the distribution of all detected compounds from negative electrospray FTICR-MS analysis. The color codes represent different molecular compositions (blue CHO, orange CHNO, green CHOS), and the size of the bubbles indicates the signal intensity. The insert in the van Krevelen diagram highlights the classes of compounds. C Clustering heat map of the top 1000 significant compounds based on Pearson distance between spectra of the sixty-four samples (p-value ≤ 0.05). Each sample from each PM line in each compartment and the BS is indicated by a specific color in the margins. D PCA 2D scores plots illustrating the distribution of assigned compounds in different compartments of each PM line. Each sample is represented by a dot, and the color of the dots corresponds to a specific PM line. The 95% confidence region is displayed