METABOLITE IDENTIFICATION OF COMPLEX HERBAL MEDICINES IN RAT PLASMA AND INTESTINE USING HIGH RESOLUTION ACCURATE MASS SPECTROMETRY

摘要

Dose solution PCA analysis showed difference among alcoholic extract and aqueous extract and Rb1 is the major ingredient in both extracts however, the intensity of Rb1 in alcoholic extract is two times higher than aqueous extract. MarkerView~(TM) software with PCA analysis feature enables multi-variant analysis and groupings among samples. T-test in MarkerView software highlights features that are significantly different between two sample types. Using real time multiple mass defect filtering for information dependent acquisition increases the efficiency of IDA in acquiring relevant MS/MS data, and eliminating the need for re-injection in many cases. Major metabolic pathway in rat colon was deglycosylation and in plasma, CYP P450 enzyme activity was observed by identifying hydroxy metabolites of Rb1. MetabolitePilot~(TM) software is a powerful and user friendly tool to quickly identify metabolites. The successful application of multiple peak finding strategies resulted in comprehensive metabolite coverage for Phase I and II as well as unexpected cleavage metabolites. Interpretation module with in a prototype version of MetabolitePilot~(TM) software assigns parent and metabolite fragmentation and helps identify site of metabolism.