TABLE 1

Retention time, formula, accurate mass, mass error, fragment ions, biotransformation, and peak area of five lignans and their metabolites in female and male rat liver S9 detected by LC-IT-TOF/MS

	Mets	t_R (min)	m/z [M + Na]⁺	Formula	Error (ppm)	Fragment Ions (m/z)
Schizandrol A	I-M0	8.95	455.2040	C₂₄H₃₂O₇	0.0	237.1097; 241.1037; 273.1213; 295.1509; 409.1675; 410.1763; 415.2109; 423.1441; 440.1765
	I-M1	6.26	457.1828	C₂₃H₃₀O₈	−0.5	442.1593; 439.1759; 411.1427
	I-M2	7.01	441.1868	C₂₃H₃₀O₇	−1.6	401.1985; 369.1689
	I-M3	7.88	471.1985	C₂₄H₃₂O₈	−0.4	273.1213; 295.1509; 425.1583; 426.1609; 453.1970; 456.1724
	I-M4	8.14	441.1875	C₂₃H₃₀O₇	−0.9	395.1479; 369.1689
Schizandrol B	II-M0	9.57	439.172	C₂₃H₂₈O₇	−0.7	393.1298; 394.1321; 399.1724; 424.1540
	II-M1	7.18	425.1567	C₂₂H₂₆O₇	−0.4	410.1342; 385.1537; 369.1689; 277.1442
	II-M2	7.16	441.1504	C₂₂H₂₆O₈	−1.6	426.1346; 423.1446; 277.1439
	II-M3	7.51	441.1504	C₂₂H₂₆O₈	−1.6	426.1346; 423.1446; 277.1439
	II-M4	8.72	455.1672	C₂₃H₂₈O₈	−0.4	440.1477; 437.1611; 410.1493; 409.1278
	II-M5	8.94	425.1572	C₂₂H₂₆O₇	0.1	410.1342; 369.1689; 277.1439
	II-M6	9.17	425.1556	C₂₂H₂₆O₇	−1.5	365.1950; 262.1357; 225.0974
Schisantherin A	III-M0	10.05	559.1922	C₃₀H₃₂O₉	−1.7	437.1561; 415.1727; 385.1615; 371.1457; 391.1004
	III-M1	8.47	545.1764	C₂₉H₃₀O₉	−1.8	423.1416; 401.1519; 391.1247; 392.1274; 377.0978
	III-M2	8.73	575.1845	C₃₀H₃₂O₁₀	−4.3	437.1567; 391.1726; 385.1669; 371.1489; 341.1288
	III-M3	9.24	575.1863	C₃₀H₃₂O₁₀	−2.5	437.1567; 391.1726; 385.1669; 371.1489; 341.1288
	III-M4	9.61	545.1771	C₂₉H₃₀O₉	−1.1	423.1462; 359.1452; 491.1803; 253.1312
Schitherdrin	IV-M0	10.47	439.2067	C₂₄H₃₂O₆	−2.4	393.1669; 424.1858
	IV-M1	6.14	471.1973	C₂₄H₃₂O₈	−1.6	441.1721
	IV-M2	6.31	457.1817	C₂₃H₃₀O₈	−1.6	442.1593; 439.1759; 293.1427
	IV-M3	7.10	441.1888	C₂₃H₃₀O₇	0.4	369.1323; 395.1456; 426.1669
	IV-M4	7.88	471.1947	C₂₄H₃₂O₈	−4.2	273.1213; 295.1509; 425.1583; 426.1609; 453.1970; 441.1721; 456.1724
	IV-M5	7.70	441.1888	C₂₃H₃₀O₇	0.4	369.1323; 395.1456; 426.1669
	IV-M6	8.95	455.2042	C₂₃H₃₀O₇	−0.0	440.1768; 410.1610; 409.1608; 295.1509
	IV-M7	10.06	425.1900	C₂₃H₃₀O₆	−3.5	371.1879; 339.1532; 301.1036; 343.1887; 339.1570
Schitherdrin B	V-M0	10.80	423.1743	C₂₃H₂₈O₆	−3.5	386.1689; 371.1858; 340.1598; 331.1198; 300.1002
	V-M1	7.36	453.1873	C₂₄H₃₀O₇	−1.1	433.2008
	V-M2	7.73	425.1568	C₂₂H₂₆O₇	−2.7	410.1342; 385.1537; 369.1689
	V-M3	7.86	453.1873	C₂₄H₃₀O₇	−1.1	319.1054
	V-M4	9.39	439.1717	C₂₃H₂₈O₇	−1	359.1826
	V-M5	9.53	409.1615	C₂₂H₂₆O₆	−0.7	355.1536; 325.1422; 317.0954; 287.0826; 285.0841; 269.1058
	V-M6	10.40	409.1616	C₂₂H₂₆O₆	−0.6	381.1679; 378.1491; 363.1179; 365.1303; 355.1496; 317.1031; 285.1460; 235.1295