Related Experiment Video
Updated: Jun 3, 2026
Rapid High-throughput Species Identification of Botanical Material Using Direct Analysis in Real Time High Resolution Mass Spectrometry
Published on: October 2, 2016
Flow injection mass spectroscopic fingerprinting and multivariate analysis for differentiation of three Panax species
Pei Chen1, James M Harnly, Peter de B Harrington
1U.S. Department of Agriculture, Food Composition Laboratory, Beltsville Human Nutrition Research Center, Agricultural Research Service, Beltsville, MD 20705, USA. pei.chen@ars.usda.gov
Abstract:
This study describes the use of spectral fingerprints acquired by flow injection(FI)-MS and multivariate analysis to differentiate three Panax species: P. ginseng, P. quinquefolius, and P. notoginseng. Data were acquired using both high resolution and unit resolution MS, and were processed using principal component analysis (PCA), soft independent modeling of class analogy (SIMCA), partial least squares-discriminant analysis (PLS-DA), and a fuzzy rule-building expert system (FuRES). Both high and unit resolution MS allowed discrimination among the three Panax species. PLS-DA and FuRES provided classification with 100% accuracy while SIMCA provided classification accuracies of 77 and 88% by high- and low-resolution MS, respectively. The method does not quantify any of the sample components. With FI-MS, the analysis time was less than 2 min.
