. 2021 Jan 12;11:599158. doi: 10.3389/fpls.2020.599158

TABLE 3.

Phase I metabolites of AFB1 annotated from roots and leaves analysis and their qualitative abundance.

Metabolite	logP	RT (min)	Formula	Adduct	Theoretical m/z	Mass error (ppm)	Leaves/roots
AFM2*	0.2	9.7	C17H14O7	[M + H]⁺	331.0812	–0.8	0.09
AFQ1	0.5	9.8	C17H12O7	[M + H]⁺	329.0656	–1.3	0.55
AFM1*	0.5	10.3	C17H12O7	[M + H]⁺	329.0656	0.6	2.23
AFP1	1.3	10.3	C16H10O6	[M + H]⁺	299.0550	–1.6	0.01
AFB2*	1.3	10.9	C17H14O6	[M + H]⁺	315.0863	–0.8	0.06
AFB1*	1.6	11.4	C17H12O6	[M + H]⁺	313.0707	–0.8	0.08
AFL*	1.2	12.4	C17H14O6	[M-H₂O + H]⁺	297.0757	–1.5	0.09

*Confirmation with standard by comparison of accurate mass, HRMS/MS, and RT. All the metabolites were detected in both organs. The abundance, expressed as the peak chromatographic area, was always higher in roots than in leaves for all the annotated metabolites with the only exception of AFM1.