Table 5.

List of ions detected in plasma, urine, and feces after 5 mg/kg dose in mice using MRM-IDA-EPI scans, which represent potential metabolites of 13–197.

Matrix	Mass Shift	m/z	Biotransformation	Peak Area	% Area Compared to parent
Plasma	−ve ion mode
	0	473	Parent	9.26E+06	100
	46	519	Keto (Ox-2H) + Di-Oxidation	1.68E+06	18
	4	477	Di-Demethylation + Di-Oxidation	1.39E+06	15
	48	521	Tri-Oxidation	1.29E+06	14
	323	796	Oxidation + Glutathione	3.97E+05	4.3
	28	501	CO	3.41E+05	3.7
	107	580	Taurine	2.34E+05	2.5
	30	503	Keto (Ox-2H) + Oxidation	1.72E+05	1.9
Urine	+ve ion mode
	0	475	Parent	0.00E+00	* a)
	30	505	Keto (Ox-2H) + Oxidation	1.83E+06	*
	−14	461	Demethylation	6.94E+05	*
	107	582	Taurine	1.61E+05	*
	46	521	Keto (Ox-2H) + Di-Oxidation	1.31E+05	*
	32	507	Di-Oxidation	1.12E+05	*
	2	477	Hydrogenation	1.04E+05	*
	−ve ion mode
	0	473	Parent	0.00E+00	*
	−46	427	Debromination plus H + Di-Oxidation	3.58E+05	*
	−2	471	Dehydrogenation	1.60E+05	*
Feces	+ve ion mode
	0	475	Parent	7.40E+04	100
	107	582	Taurine	7.20E+05	973
	14	489	Methylation	4.43E+05	599
	34	509	Oxidation + OH+H	4.31E+05	582
	−30	445	Loss of NO	3.94E+05	532
	2	477	Hydrogenation	1.62E+05	219
	46	521	Keto (Ox-2H) + Di-Oxidation	7.56E+04	102
	−42	433	Tri-Demethylation	6.41E+04	87
	−ve ion mode
	0	473	Parent	1.51E+05	100
	−46	427	Debromination plus H + Di-Oxidation	9.04E+04	60
	42	515	Acetylation	7.84E+04	52
	323	796	Oxidation + Glutathione	6.42E+04	43
	321	794	Oxidation + Glutathione - 2H	3.88E+04	26

^a)Parent not detectable