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. Author manuscript; available in PMC: 2019 Aug 27.
Published in final edited form as: Anal Chim Acta. 2018 Mar 19;1021:69–77. doi: 10.1016/j.aca.2018.03.013

Scheme 1. Workflow for subset preparation and subsequent analysis.

Scheme 1

A botanical mixture spiked with the known compounds berberine, magnolol, cryptotanshinone, and alpha-mangostin was fractionated three times and separated into equal sample sets containing 3, 5, or 10 final pools. The resulting pools were suspended at 0.1 or 0.01 mg mL−1 (reported as mass of dry extract per volume solvent) in methanol for UPLC-MS analysis. Each data subset was analyzed using hierarchical cluster analysis (HCA) before and after filtering to remove chemical interferents.