Abstracts

Figures & data

Figure 1.  4-iodo-2-fluoro-aniline and reactive intermediate (3-fluoro-4-iminocyclohexa-2,5-dienylidene)iodonium.

Table 1.  The metabolites detected by pMRM and M IM from orally dosed bile sample.

Peak ID	Biotransformation	Mass Shift	Expected m/z	Q1 /Q3	R.T. (min)	Peak Area	% Area
M1	Oxidation	16	4 71.3	4 71.3 / 165.0	3.47	2.17E+06	0.6
M2	B is-deaIkylatio n	-178.2	277.1	277.1 /277.1	3.56	3.45E + 07	10.4
M3	G lucuronidation	176	631.3	631.3 Z455.3	6.88	6.14E+05	0.2
M4	G lucuronidation	176	631.3	631.3 Z455.3	7.47	2.30E + 05	0.1
M5	Bi s-d em ethyl at ion+G lucuronidation	14 7.7	603	603.0 / 165.0	8.72	9.35E+06	2.8
M6	Dem ethy lation + glucuronidation	162	617.3	617.3 / 165.0	8.76	4.04E+07	12.1
M7	De-Methylation	-14	441.3	441.3 / 165.0	8.81	4.21E + 06	1.3
M8	De-Methylation	-14	441.3	441.3 /151.0	9.13	7.49E+06	2.2
M9	Oxidation + Glucuronidation	1 92	647.3	647.3 /471.3	9.22	5.52E+05	0.2
M 10	Demthylation and oxidation	2	457.3	457.3 / 165.0	9.35	1.19E+06	0.4
M 11	Dernethylation+glucronidation	162	617.3	617.3 / 165.0	9.49	7.87E+05	0.2
M 12	Oxidation + G lucuronidation	192	647.3	647.3 /471.3	9.63	7.15E + 06	2.1
M 14	Loss of NO	-30	425.3	425.3 / 1 65.0	9.9	1.39E+08	4 1.7
M 13	Bis-De-M ethylation	-28	427.3	427.3 / 165.0	9.9	3.7 1E + 06	1.1
M 15	Bis-dealkylation	-178.2	277.1	277.1 / 277.1	9.95	1.50E+07	4.5
M 16	G lucuronidation	1 76	631.3	631.3 Z455.3	1 0.13	1.26E+06	0.4
M 17	Oxidation + G lucuronidation	192	647.3	647.3 /471.3	10.17	5.48E+05	0.2
M 18	Bis-De-Methylation	-28	427.3	427.3 / 1 65.0	10.54	1.92E+06	0.6
M 19	D e-Methylation	-14	441.3	441.3 / 165.0	10.67	4.93E+06	1.5
M 20	D e-Methylation	-14	441.3	441.3 /151.0	10.72	7.1 1E + 06	2.1
M 21	D e-Methylation	-14	441.3	441.3 / 1 65.0	1 1.04	4.30E+06	1.3
M 22	Demthylation and oxidation	2	457.3	457.3 / 1 65.0	1 1.13	7.42E+05	0.2
	Parent	0	455.3	455.3 / 165.0	1 1.17	3.18E+07	9.5
M 23	Demethylation + Di-Oxidation	30	485.3	485.3 / 1 65.0	1 1.99	5.05E+06	1.5
M 24	D e-Methylation	-14	441.3	441.3 / 1 65.0	1 1.99	9.09E+06	2.7