Table 3 in Integration of non-targeted metabolomics and automated determination of elemental compositions for comprehensive alkaloid profiling in plants

Table 3 Alkaloid-like metabolites highlighted by means of PLS-DA (Fig. 3B) and representative of either A. lycoctonum or A. napellus were tentatively identified using the DNP database. Elemental compositions, mass-to-charge ratios (m/z) and retention times (Rt) are provided for the 10 markers.
LV 1 loading (VIP scores)Aconitum speciesMeasured m/zRt (min)MarkerLynx ECTentative assignment or number of isomers reported0.0895 (1.67)A. lycoctonum669.33733.57C36H48N2O10Lycaconitine (reported in Aconitum lycoctonum)0.0853 (1.59)A. lycoctonum697.33193.76C37H48N2O11Potanidine B (lycoctonine derivative reported in Delphinium genus)0.0840 (1.57)A. lycoctonum400.24892.31C24H33NO4Alkaloid-1AL (6 isomers reported in Aconitum genus)0.0823 (1.55)A. lycoctonum416.24422.35C24H33NO5Hetisane-type diterpenoid alkaloid (reported in Delphinium genus)0.0800 (1.51)A. lycoctonum430.25972.85C25H35NO5Yuzurimine A or E (reported in Daphniphyllum genus)−0.0984 (1.85)A. napellus464.26532.40C25H37NO7Anthriscifoldine A (reported in Delphinium genus)−0.0976 (1.83)A. napellus450.28602.17C25H39NO614- O -Acetylgenicunine B (reported in Aconitum variegatum)−0.0976 (1.83)A. napellus480.29592.52C26H41NO7Bullatine C (reported in Aconitum napellus)−0.0929 (1.73)A. napellus436.27031.72C24H37NO6Alkaloid-1AN (5 isomers reported in Aconitum genus)−0.0924 (1.72)A. napellus358.23901.80C22H31NO3Napellonine (reported in Aconitum napellus)