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image of TLC Identification and UPLC-Orbitrap-MS/MS Profiling Chemical Constituents of Chaenomeles sinensis and Chaenomeles speciosa Aided by Chemometrics Approaches

Abstract

Introduction

and are two closely related plant species. The confusion or adulteration between the two species is a common occurrence in the herbal market.

Method

A specific TLC method was established to distinguish from . Furthermore, a new UPLC-Orbitrap-MS/MS method was developed for their classification. This method entailed analyzing massive MS data from species, which were processed using a self-designed VBA program. The classification was facilitated by three chemometric approaches.

Results

3--Acetylursolic acid was discovered, separated, and identified from as the unique chemical marker. A TLC identification test was thus established to discriminate between these two species using this marker. All three chemometric models demonstrated robust classification of 20 samples. Subsequent structural profiling of chemical compositions in species was accomplished.

Discussion

Most of the identified compounds included triterpenoids, with nine compounds common to both species. TLC and UPLC-MS/MS methods were established for differentiating from .

Conclusion

The present study also introduces an integrated analytical workflow that merges rapid TLC prescreening with high-resolution UPLC-MS/MS fingerprinting and chemometric modelling, enabling unequivocal discrimination of phylogenetically proximate plant species.

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2026-01-21
2026-01-31

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TLC Identification and UPLC-Orbitrap-MS/MS Profiling Chemical Constituents of Chaenomeles sinensis and Chaenomeles speciosa Aided by Chemometrics Approaches
Bentham Science Publishers ; https://doi.org/10.2174/0115734110428700251130161212
/content/journals/cac/10.2174/0115734110428700251130161212
/content/journals/cac/10.2174/0115734110428700251130161212
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  • Article Type:     Research Article
Keywords: TLC identification ; chemometrics ; 3-O-acetylursolic acid ; Chaenomeles speciosa ; UPLC-Orbitrap-MS ; Chaenomeles sinensis

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