Tracing of Gelsemium elegans by UPLC-Q-TOF MS fingerprint analysis technique

Fingerprints of 13 batches of Gelsemium elegans (G. elegans) were established by ultra-performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF MS). The study aimed to explore the compositional variations in G. elegans before and after high-temperature processing and to distinguish it from honeysuckle and Ficus hirta Vahl. Chemical constituents of 25 peaks in G. elegans were identified by precisely determining retention times, MS2 spectra fragments, and validation against relevant databases and reference materials (RM). The entire analysis process was completed within 15 min. Moreover, the similarities and significant differences of chemical components of G. elegans before and after processing were analyzed via principal component analysis (PCA) and orthogonal partial least square discriminant analysis (OPLS-DA). The results showed that the contents of 10 components (kouminol, celastrol, sempervirine, 14,15-dihydroxygelsenicine, 4,20-dehydrogelsemicine, 4-O-caffeoylquinic acid, Nb-Methylgelsedilam, 3-hydroxykoumidine,14-acetoxygelsenicine, and humantenine) were related to the degree of processing. In addition, 15 alkaloids exhibited relative stability before and after processing, serving as distinctive marker compounds for traceability studies. This research provides a valuable basis for the source analysis and species traceability of toxin in forensic science.