CYP450 phenotyping and metabolite identification of quinine by accurate mass UPLC-MS analysis: a possible metabolic link to blackwater fever

Table 1 Quinine metabolites formed upon CYP 3A4, 2D6, 2C19, 2C9 and 1A2 incubation Shown are the metabolites observed with each corresponding CYP

	Metabolite observed					MS information		Relative % metabolite present
Metabolite	3A4	2D6	2C19	2C9	1A2	m/z	T_r (min)	3A4	2D6	2C19	2C9	1A2
Parent	+	+	+	+	+	325.19	3.6	49.04	95.19	78.22	93.90	99.31
Ketone	+	-	+	-	-	339.17	3.12	0.27	0.00	0.09	0.00	0.00
Hydroxylation	+	+	+	+	-	341.18	2.69	0.43	0.66	1.22	0.06	0.00
Hydroxylation	+	+	+	+	-	341.18	2.85	44.88	0.98	8.36	0.72	0.00
Hydroxylation	+	+	+	+	-	341.18	2.94	2.22	1.47	10.89	5.20	0.00
Hydroxylation/Ketone tautomers	+	-	+	+	+	341.18	3.14	0.32	0.00	0.01	0.01	0.06
Demethylation + hydroxylation	+	-	-	-	-	327.18	2.48	0.16	0.00	0.00	0.00	0.00
Demethylation	+	+	+	+	+	311.17	3.16	0.15	1.70	1.23	0.10	0.62
2x Hydroxlyation	+	-	-	-	-	357.18	2.57	1.18	0.00	0.00	0.00	0.00
2x Hydroxlyation	+	-	-	-	-	357.18	2.41	1.36	0.00	0.00	0.00	0.00

The plus and minus signs indicate whether the listed metabolite was observed with each CYP after 60 minute incubations. The corresponding m/z values observed and retention times (t_r) for each metabolite are listed. The relative % of each metabolite formed is also listed.

ISSN: 1475-2875