e00046 Таблица 3.

Таблица 3. HPLC/ESI-MS data obtained for the compound OSPL-502 and its metabolites after 60-minute incubation with liver homogenate.

ID	Metabolite name	m/z		Identification	T_R	S, %
ID	Metabolite name	found	сalc.	Identification	T_R	S, %
	OSPL-502 Fragment (loss of C₇H₄O₃ + CH₂O) Fragment	465.1657 299.1402 149.0231	465.1662 299.1396 149.0239	[M+H]⁺ [C₁₇H₁₉N₂O₃]⁺ [C₈H₅O₃]⁺	2.99
M1	Hydroxilation Fragment (loss of H₂O) Fragment	481.1622 463.1513 149.0242	481.1611 463.1505 149.0239	[M+H]⁺ [C₂₅H₂₃N₂O₇]⁺ [C₈H₅O₃]⁺	2.80	8.7
М2	Hydroxilation Fragment (loss of C₇H₄O₃ + CH₂O) Fragment (loss of H₂O) Fragment	481.1622 315.1335 463.1513 149.0242	481.1611 315.1345 463.1505 149.0239	[M+H]⁺ [C₁₇H₁₉N₂O₃]⁺ [C₂₅H₂₃N₂O₇]⁺ [C₈H₅O₃]⁺	2.87	35.0
М3	Hydroxilation / N-oxidation Fragment	481.1610 149.0238	481.1611 149.0239	[M+H]⁺ [C₈H₅O₃]⁺	3.11	2.1
М4	Hydroxilation / N-oxidation Fragment	481.1610 149.0238	481.1611 149.0239	[M+H]⁺ [C₈H₅O₃]⁺	3.17	1.7
М5	Hydrogenation Fragment	467.1831 149.0255	467.1818 149.0239	[M+H]⁺ [C₈H₅O₃]⁺	2.62	7.1
М6	Hydrogenation Fragment Fragment	467.1831 151.0397 149.0255	467.1818 151.0395 149.0239	[M+H]⁺ [C₈H₇O₃]⁺ [C₈H₅O₃]⁺	2.73	15.5
М7	2 x Hydrogenation Fragment	469.1978 151.0398	469.1975 151.0395	[M+H]⁺ [C₈H₇O₃]⁺	2.39	1.5
М8	Hydrogenation + Hydroxilation / N-oxidation Fragment	483.1781 151.0408	483.1767 151.0395	[M+H]⁺ [C₈H₇O₃]⁺	2.61	2.9
М9	Hydrogenation + Hydroxilation / N-oxidation Fragment	485.1910 151.0397	485.1924 151.0395	[M+H]⁺ [C₈H₇O₃]⁺	2.25	1.7
М10	Hydrogenation + Glucuronide conjugation Fragment (loss of C₆H₈O₆) Fragment	643.2144 457.1823 151.0399	643.2139 467.1818 151.0395	[M+H]⁺ [C₂₅H₂₇N₂O₇] ⁺ [C₈H₇O₃]⁺	2.41	9.4
М11	O,O-demethylation	453.1662	453.1662	[M+H]⁺	2.93	3.4
М12	O,O-demethylation + hydrogenation	455.1828	455.1818	[M+H]⁺	2.29	1.9
М13	O,O-demethylation + glucuronide conjugation Fragment	629.1981 453.1674	629.1983 453.1662	[M+H]⁺ [C₂₄H₂₅N₂O₇] ⁺	2.34	4.1
М14	O,O-demethylation + glucuronide conjugation Fragment (loss of C₆H₈O₆)	629.1980 453.1670	629.1983 453.1662	[M+H]⁺ [C₂₄H₂₅N₂O₇] ⁺	2.39	3.6
М15	O,O-demethylation (catechol formation) + hydrogenation + hydroxylation + glucuronide conjugation	647.2090	647.2088	[M+H]⁺	1.98	0.7
М16	O,O-demethylation (catechol formation) + hydrogenation + hydroxylation + S-Glutathione conjugation	756.2186	756.2187	[M+H]⁺	2.30	0.6