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. 2020 Dec 3;11:578346. doi: 10.3389/fphar.2020.578346

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Copyright © 2020 Houriet, Allard, Queiroz, Marcourt, Gaudry, Vallin, Li, Lin, Wang, Kuchta and Wolfender

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Example of the detailed mining of a multi-component signature for Scutellaria baicalensis in the formula: (A) 2D feature map (NI) filtered by ELSD (see Figure 5E), (B) specific cluster in FBMN-NI containing the identified markers SC2 and SC3 and their related annotated nodes, some with structures described for the species (S) or genus (G), (C) bar chromatograms showing the corresponding multi-component signature with their chromatographic data, (D) UHPLC-HRMS/MS metabolite profile of the formula in NI in regards of the multi-component signature. Codes such as Co-SC-2 referred to annotations, see Supplementary Table S9.