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Discrimination of crude and processed rhubarb products using a chemometric approach based on ultra fast liquid chromatography with ion trap/time‐of‐flight mass spectrometry
Author(s) -
Wang Min,
Fu Jinfeng,
Guo Huimin,
Tian Yuan,
Xu Fengguo,
Song Rui,
Zhang Zunjian
Publication year - 2015
Publication title -
journal of separation science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.72
H-Index - 102
eISSN - 1615-9314
pISSN - 1615-9306
DOI - 10.1002/jssc.201401044
Subject(s) - mass spectrometry , chromatography , ion trap , chemistry , time of flight mass spectrometry , chemometrics , partial least squares regression , trap (plumbing) , analytical chemistry (journal) , ion , ionization , computer science , organic chemistry , environmental engineering , machine learning , engineering
Crude rhubarb subjected to different processing procedures will produce different therapeutic effects that are possibly due to processing‐induced variation in chemical composition. In this study, a chemometric approach based on ultra fast liquid chromatography with ion trap/time‐of‐flight mass spectrometry was established to systematically investigate the chemical variations of rhubarb induced by different processing methods. The approach was validated based on pooled quality‐control samples from two perspectives: the individual properties of variables and the bulk properties of samples. Orthogonal partial least squares discriminant analysis was introduced to compare the differences between crude and processed rhubarb products. A total of 20 significantly different markers were screened out and unambiguously/tentatively characterized. This research proved that a chemometric method based on ultra fast liquid chromatography with ion trap/time‐of‐flight mass spectrometry can comprehensively analyze the chemical variation of herbal medicine and provide evidence for a deeper understanding of the pharmacological activities of processed rhubarb products.