Table 1 Identification of prototype components and metabolites ingredients in serum of WSC

1

[M + H]⁺

433.2223

0.5

C₂₄H₃₂O₇

433.1891 [M + H]⁺, 384.1905 [M + H-CH₄O₂]⁺, 369.1672 [M + H-CH₄O₂-CH₃]⁺, 338.1488 [M + H-CH₄O₂-CH₃-CH₃O]⁺

Schisandrin

Prototype

2

[M + H]⁺

417.1909

0.5

C₂₃H₂₈O₇

417.1815 [M + H]⁺, 399.1699 [M + H-H₂O]⁺, 358.1321 [M + H-H₂O-CH₃-C₂H₄]⁺, 314.1084 [M + H-H₂O-CH₃-C₂H₄-CH₃CO]⁺

Schisandrol B

Prototype

3

[M + H]⁺

391.2846

0.9

C₂₄H₃₈O₄

391.3340 [M + H]⁺, 279.1769 [M + H-7CH₂-CH₃]⁺, 205. 1174 [M + H-7CH₂-CH₃-7CH₂-2CH-COOH-2OH]⁺

Merulinic acid A

Prototype

4

[M + H]⁺

401.1598

1.1

C₂₂H₂₄O₇

401.1602 [M + H]⁺, 352.1309 [M + H-OCH₃]⁺, 337.1058 [M + H-OCH₃-CH₃]⁺

Gomisin R

Prototype

5

[M + H]⁺

531.2229

0.8

C₂₈H₃₄O₁₀

531.2152 [M + H]⁺, 485.2161 [M + H-CH₂O₂]⁺, 401.1588 [M + H-CH₂O₂-C₅H₈O]⁺, 383.1488 [M + H-CH₂O₂-C₅H₈O-H₂O]⁺

Gomisin D

Prototype

6

[M + H]⁺

401.1957

-0.2

C₂₃H₂₈O₆

401.1957 [M + H]⁺, 370.1746 [M + H-OCH₃]⁺, 331.1149 [M + H-C₅H₁₀]⁺, 316.0927 [M + H-CH₃-C₅H₁₀]⁺, 300.0969 [M + H-CH₃-O-C₅H₁₀]⁺

Schisandrin B

Prototype

7

[M + H]⁺

221.0652

− 1.5

C₈H₁₂O₇

221.0655 [M + H]⁺, 157.0484 [M + H-OH-COOH-CH₃]⁺,139.0023 [M + H-OH-COOH-CH₃-H₂O]⁺

Dimethyl citrate

Prototype

8

[M + H]⁺

415.1753

0.5

C₂₃H₂₆O₇

415.1742 [M + H]⁺, 385.1644 [M + H-CH₂O]⁺,

371.1481[M + H-CH₂O-CH₃]⁺

Neoisostegane

Prototype

9

[M + H]⁺

385.1646

0.1

C₂₂H₂₄O₆

385.1650 [M + H]⁺, 355.1546 [M + H-OCH₃]⁺, 285.0754 [M + H-OCH₃-C₅H₁₀]⁺

Schisandrin C

Prototype

10

[M + H]⁺

431.2069

1.1

C₂₄H₃₀O₇

431.2033 [M + H]⁺, 400.1865 [M + H-OCH₃]⁺,372.1549 [M + H-OCH₃-C₂H₄]⁺

Schinsanlignone A

Prototype

11

[M + H]⁺

433.1851

0.8

C₂₃H₂₈O₈

433.1851 [M + H]⁺, 415.1751 [M + H-H₂O]⁺, 384.1572 [M + H-H₂O-OCH₃]⁺, 369.1326 [M + H-H₂O-OCH₃-CH₃]⁺, 345.1315 [M + H-H₂O-C₅H₁₀]⁺, 301.1074 [M + H-H₂O-CO₂-C₅H₁₀]⁺ 286.0847 [M + H-H₂O-CO₂-C₅H₁₀-CH₃]⁺

6-debenzoyl-Schisantherin A

Metabolites of Schisantherin A

12

[M + H]⁺

419.1709

0.5

C₂₂H₂₆O₈

419.1709 [M + H]⁺, 401.1632 [M + H-H₂O]⁺, 369.1361 [M + H-H₂O-CH₃OH]⁺, 331.1193 [M + H-H₂O-C₅H₁₀]⁺, 316.0941 [M + H-H₂O-C₅H₁₀-CH₃]⁺

3-demethylation-6-debenzoyl-Schisantherin A

Metabolites of Schisantherin A

13

[M + H]⁺

415.1760

0.5

C₂₃H₂₆O₇

415.1760 [M + H]⁺, 397.1634 [M + H-H₂O]⁺, 385.1650 [M + H-OCH₂]⁺, 371.1489 [M + H-OCH₂-CH₃]⁺, 342.1110 [M + H-OCH₂-CH₃-HCO]⁺, 340.1316 [M + H-OCH₂-CH₂-OCH₃]⁺

7,8-dehydration-6-debenzoyl-Schisantherin A or 7,17-dehydration-6-debenzoyl-Schisantherin A

Metabolites of Schisantherin A

14

[M + H]⁺

401.1970

0.7

C₂₃H₂₈O₆

401.1970 [M + H]⁺, 386.1740 [M + H-CH₃]⁺, 370.1788 [M + H-OCH₃]⁺, 369.1720 [M + H-CH₃-OH]⁺, 355.1548 [M + H-2CH₃-OH]⁺

2-demethoxy-Schisandrin A

Metabolites of Schisandrin A

15

[M + H]⁺

415.1760

0.5

C₂₃H₂₆O₇

415.1760 [M + H]⁺, 397.1634 [M + H-H₂O]⁺, 385.1650 [M + H-OCH₃]⁺, 371.1498 [M + H-OCH₃-CH₂]⁺, 340.1316 [M + H-2OCH₃-CH₂]⁺, 325.1083 [M + H-2OCH₃-CH_2-COCH₃]⁺

1-demethoxy-7,8-dicarbonylation-Schisandrin A

Metabolites of Schisandrin A

16

[M + H]⁺

419.1709

0.9

C₂₃H₃₀O₇

419.1709 [M + H]⁺, 401.1632 [M + H-H₂O]⁺, 387.1457 [M + H-H₂O-CH₂]⁺, 369.1361 [M + H-H₂O-CH₂-H₂O]⁺, 327.1247 [M + H-H₂O-CH₂-4CH₃]⁺,

3-demethyl-3,7-dihydroxy-Schisandrin A

Metabolites of Schisandrin A

17

[M + H]⁺

417.1917

0.7

C₂₃H₃₀O₈

417.1917 [M + H]⁺, 399.1777 [M + H-H₂O]⁺, 367.1546 [M + H-H₂O-2OH]⁺, 331.1186 [M + H-H₂O-2OH-2H₂O]⁺, 313.1085 [M + H-H₂O-2OH-3H₂O]⁺

3-demethyl-3,7,8-trihydroxylated-Schisandrin A

Metabolites of Schisandrin A

18

[M + H]⁺

389.1957

0.6

C₂₂H₂₈O₆

389.1957 [M + H]⁺, 374.1809 [M + H-CH₃]⁺, 357.1713 [M + H-CH₃-OH]⁺, 342.1463 [M + H-2CH₃-OH]⁺, 329.1793 [M + H-CH₃-OH-CO]⁺, 325.1441 [M + H-2CH₃-OH-CO]⁺

3,12-dimethyldihydroxy-Schisandrin A

Metabolites of Shisandrin A

19

[M + H]⁺

433.1851

0.8

C₂₃H₂₈O₈

433.1851 [M + H]⁺, 415.1751 [M + H-H₂O]⁺, 384.1572 [M + H-H₂O-OCH₃]⁺, 369.1326 [M + H-H₂O-OCH₃-CH₃]⁺

7-carboxylated -Schisandrin A

Metabolites of Schisandrin A

20

[M + H]⁺

415.2116

0.7

C₂₄H₃₂O₇

415.2116 [M + H]⁺, 400.1888 [M + H-CH₃]⁺, 384.1932 [M + H-OCH₃]⁺, 369.1699 [M + H-OCH₃-CH₃]⁺, 338.1520 [M + H-2OCH₃-CH₃]⁺

7-hydroxylated -Schisandrin A

Metabolites of Schisandrin A

21

[M + H]⁺

449.3111

0.8

C₂₄H₃₂O₈

449.3111 [M + H]⁺, 431.2076 [M + H-H₂O]⁺, 382.1767 [M + H-H₂O-2OH-CH₃]⁺, 373.1656 [M + H-2OCH₃-CH₃]⁺, 358.1428 [M + H-2OCH₃-2CH₃]⁺

7,8-dihydroxy Schisandrin A

Metabolites of Schisandrin A

22

[M + H]⁺

432.3115

0.9

C₂₃H₂₈O₈

432.3115 [M + H]⁺, 414.3028 [M + H-H₂O]⁺,

357.2811 [M + H-CH₂O₂-CH₃]⁺, 339.2707 [M + H-CH₂O₂-CH₃-H₂O]⁺, 321.2591 [M + H-CH₂O₂-CH₃-2H₂O]⁺

11-hydroxylated-Schisandrol B

Metabolites of Schisandrol B