In order to investigate the distribution and accumulation characteristics of metabolites and mineral elements in different parts of Peganum harmala L. (P. harmala), and the synergistic or antagonistic effects between them. In this study, nuclear magnetic resonance (NMR), high performance liquid chromatography (HPLC) and inductively coupled plasma optical emission spectrometer (ICP-OES) were used to determine the contents of metabolites (proline, phosphorylcholine, choline, lysine, 4-hydroxyisoleucine, asparagine, acetic acid, sucrose, harmaline and vasicine) and mineral elements (Ca, Mg, K, P, Na, Cr, Cu, Fe, Zn, Mn, Ni, C, N) in five parts of P. harmala, including root, seed, testa, stem and leaf, and to analyze the relationship among the contents of metabolites and mineral elements. The results showed that the contents of acetic acid, proline, lysine, sucrose and Fe in the root were higher than those in other parts, and the contents of harmaline, phosphorylcholine, P, C, N and Zn in the seeds were the highest. The leaves were rich in vasicine, Na, K, Ca, Mg and Mn. The principal component analysis (PCA) showed that the cumulative variance contribution of the first two principal components was 69.00 %, and the loading values of K, Cu and sucrose were higher, which was consistent with the results of biplot and cluster analysis(HCA). Correlation analysis (CA) results showed that there was a strong overall correlation between the different components of seeds and leaves, and the correlation was greater than that of other parts. The results of this study are helpful to understand the correlation of functional traits among different parts of plants, and determine the internal mechanism of controlling functional traits and the proportional relationship between traits, so as to provide a reference for the resource utilization of plants.
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