Discriminating from species of Curcumae Radix (Yujin) by a UHPLC/Q-TOFMS-based metabolomics approach.

Background: Chinese medicinal herbs may use more than one species of Curcumae Radix (Yujin) is the tuberous roots of Curcumae wenyujin, C kwangsiensis, C phaeocaulis and C longa. This study aimed to characterize the chemical profiles of these different species of Curcumae Radix, and develop a method for rapid discrimination of these species by ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC/Q-TOFMS) combined with multivariate statistical analysis. Methods: The metabolomes of 33 different batches of Curcumae Radix derived from four Curcumae species were profiled by UHPLC/Q-TOFMS. The resulting sample codes, t_R-m/z pairs and ion intensities were processed by unsupervised principal component analysis (PCA) and supervised orthogonal partial least squared discriminant analysis (OPLS-DA) to characterize the chemical composition of Curcumae Radix across the four different species. Results: Obvious differences were observed in the chemical compositions of the Curcumae Radix samples derived from the four different species according to PCA and OPLS-DA. These results suggested that curcumin, curcumenone, curcumenol and zederone could be used as unique chemical markers for C longa, C wenyujin, C phaeocaulis and C. kwangsiensis, respectively. Conclusions: This study developed a UHPLC/Q-TOFMS method coupled with multivariate statistical analysis to discriminate between Curcumae Radix samples from four different Curcumae species, i.e., C longa, C wenyujin, C phaeocaulis and C kwangsiensis. Notably, this new approach resulted in the identification of curcumin (a), curcumenone (b), curcumenol (c) and zederone (d) as unique chemical markers for the identification. [ABSTRACT FROM AUTHOR]