Journal of Chemistry

Research Article

Metabolism Analysis of Alantolactone and Isoalantolactone in Rats by Oral Administration

Table 1

Parent compounds and metabolites detected in the bile of rats after oral administration of alantolactone and isoalantolactone.


Parent compound/metabolite	(min)	Measured mass	Calculated mass	Formula	Formula change	Characteristic fragmentation ion	Identification

Alantolactone	6.216	232.1549	232.1463	C₁₅H₂₀O₂	/	233.1549 [M + H]⁺, 215.1438 [M + H − H₂O]⁺	/
M1	2.550	264.1457	264.1462	C₁₅H₂₀O₄	[C₁₅H₂₀O₂] + O₂	265.1457 [M + H]⁺, 247.1350 [M + H − H₂O]⁺, 229.1219 [M + H − 2H₂O]⁺	Peroxidate
M2	3.296	353.1762	353.1661	C₁₈H₂₇NO₄S	[C₁₅H₂₀O₂] + C₃H₇NO₂S	354.1762 [M + H]⁺	Cysteine conjugate
M3	3.898	249.1490	248.1412	C₁₅H₂₀NO₃	[C₁₅H₂₀O₂] + O	249.1490 [M + H]⁺, 231.1390 [M + H − H₂O]⁺	Epoxide
M4	5.247	230.1387	230.1307	C₁₅H₁₈O₂	[C₁₅H₂₀O₂] − H₂	231.1387 [M + H]⁺, 203.1446 [M + H − CO]⁺	Dehydrogenate
M5	5.724	250.2015	250.1569	C₁₅H₂₂O₃	[C₁₅H₂₀O₂] + H₂O	251.2015 [M + H]⁺, 233.1988 [M + H − H₂O]⁺, 215.1808 [M + H − 2H₂O]⁺, 186.9544 [M + H − 2H₂O − CO]⁺	Hydrate

Isoalantolactone	6.048	232.1558	232.1463	C₁₅H₂₀O₂	/	233.1558 [M + H]⁺, 215.1441 [M + H − H₂O]⁺,	/
M6	2.314	264.1431	264.1462	C₁₅H₂₀O₄	[C₁₅H₂₀O₂] + O₂	265.1431 [M + H]⁺, 247.1335 [M + H − H₂O]⁺, 229.1234 [M + H − 2H₂O]⁺	Oxidate
M7	3.209	353.1740	353.1661	C₁₈H₂₇NO₄S	[C₁₅H₂₀O₂] + C₃H₇NO₂S	354.1740 [M + H]⁺	Cysteine conjugate
M8	4.612	230.1383	230.1307	C₁₅H₁₈O₂	[C₁₅H₂₀O₂] − H₂	231.1383 [M + H]⁺, 186.9587 [M + H − CO₂]⁺	Dehydrogenate
M9	5.725	250.2039	250.1569	C₁₅H₂₂O₃	[C₁₅H₂₀O₂] + H₂O	251.2039 [M + H]⁺, 233.1923 [M + H − H₂O]⁺, 215.1811 [M + H − 2H₂O]⁺, 186.9593 [M + H − 2H₂O − CO]⁺	Hydrate