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United States Department of Agriculture

Agricultural Research Service

Title: Spectral and chromatographic fingerprinting with analysis of variance-principal component analysis (ANOVA-PCA): a useful tool for differentiating botanicals and characterizing sources of variance

Authors
item Harnly, James
item Luthria, Devanand

Submitted to: National Nutrient Databank Conference
Publication Type: Abstract Only
Publication Acceptance Date: February 11, 2008
Publication Date: May 12, 2008
Citation: Harnly, J.M., Luthria, D.L. 2008. Spectral and chromatographic fingerprinting with analysis of variance-principal component analysis (ANOVA-PCA): a useful tool for differentiating botanicals and characterizing sources of variance. National Nutrient Databank Conference, May 12-14, 2008, Ottawa, Ontario, Canada.

Technical Abstract: Objectives: Spectral fingerprints, acquired by direct injection (no separation) mass spectrometry (DI-MS) or liquid chromatography with UV detection (HPLC), in combination with ANOVA-PCA, were used to differentiate 15 powders of botanical materials. Materials and Methods: Powders of 15 botanical materials (angelica root, black cohosh, bitter orange, Chinese ginseng, cranberries, echinacea augostifilia herb and root, echinacea purpurea herb and root, ginkgo biloba, golden seal, kava kava, licorice root, milk thistle, pygeum bark, red clover, skullcap, and St. John’s Wort) were extracted with methanol-water (60:40, v/v) and analyzed by DI-MS and HPLC. Spectral data files were pre-processed in a spreadsheet (constructing matrix subsets for each of the experimental factors) and then analyzed using pattern recognition software (i.e., principal component analysis). Results: ANOVA-PCA made it possible to use either spectral or chromatographic fingerprinting to chemically distinguish the botanical powders. DI-MS fingerprints acquired using a time-of-flight MS allowed masses to be identified that allowed the powders to be distinguished and provided the greatest source of variation. Distinction of species was also possible. Significance: This methodology can be used to rapidly determine if there are chemical differences in powdered botanical materials. This methodology can be applied to a wide variety of plant materials and permit different cultivars to be identified.

Last Modified: 9/22/2014
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