Integration of non-targeted metabolomics and automated determination of elemental compositions for comprehensive alkaloid profiling in plants Author Vanderplanck, Maryse Analytical Chemistry, AgroBioChem Department, University of Liège - Gembloux Agro-Bio-Tech, Passage des Déportés 2, B- 5030 Gembloux, Belgium Author Glauser, Gaétan Neuchâtel Platform of Analytical Chemistry, University of Neuchâtel, Avenue de Bellevaux 51, CH- 2000 Neuchâtel, Switzerland gaetan.glauser@unine.ch text Phytochemistry 2018 2018-06-18 154 1 9 http://dx.doi.org/10.1016/j.phytochem.2018.06.011 journal article 285211 10.1016/j.phytochem.2018.06.011 028fd334-da25-496c-b981-81f072aedc64 1873-3700 10484067

Table 2 PLS-DA cross-validation metrics.

Component	R 2 X	R 2 X (cum)	R 2 Y	R 2 Y (cum)	Q2
LV 1	0.289	0.289	0.965	0.965	0.942
LV 2	0.104	0.393	0.286	0.994	0.556