Application of metabolomics approach to study on chemical constituents in different parts of Gentiana crasicaulis based on UPLC-ESI-HRMSn / 中草药

ABSTRACT

Objective To analyze the difference of chemical constituents in different parts of Gentiana crasicaulis. Methods An ultra-high performance liquid chromatography coupled with hybrid quadrupole-orbitrap mass spectrometry (UPLC-ESI-HRMSn) was developed to characterize the chemical constituents of different partsin G. crasicaulis. The data were analyzed by principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). The structures of chemical markers in different parts of the plants were identified based on accurate primary mass spectrometry and secondary mass spectrometry fragment ion, combined with the reference map, software database searching and related literature. Results A total of 36 compounds were identified, including 12 iridoids, 11 fiavonoids, 4 triterpenes, 2 esters, 1 lignans, and 6 others. Four of them were reported for the first time in G. crasicaulis. There were 16 chemical ingredients with significant differences distinguished by the method of OPLS-DA. Conclusion The chemical markers of iridoids were mainly distributed in roots, the chemical markers of flavonoids and triterpenes were mainly concentrated in aerial part of the plant. It is suggested that the potential multiple utilization of different parts from G. crasicaulis.