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. 2015 Nov 2;20(11):19719–19734. doi: 10.3390/molecules201119652

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© 2015 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons by Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).

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Orthogonal partial least squares discriminant analysis (OPLS-DA) score plot (A) and loading S-plot (B) derived from the ultrahigh performance liquid chromatography (UHPLC)-linear trap quadrupole-ion trap (LTQ-IT) mass spectrometry/mass spectrometry (MS/MS) dataset for Fagaceae and Asteraceae: R²X(0.281), R²Y(0.999), and Q²(0.854); R²X is all the Xs explained by the component, R²Y is all the Ys explained by the component, and Q² is total variation of the Xs and Ys that can be predicted by the component. The significantly different metabolites (p-value < 0.05) are highlighted in the S-plot. The numbers indicated on the loading S-plot are based on Table 2.