No. | RT (min) | Adduction | M/Z | ppm | Formula | Fragments | Identification | Type |
---|---|---|---|---|---|---|---|---|
1 | 16.9 | [M + H]+ | 417.2237 | − 8.1 | C24H32O6 | 417.2234 [M + H]+, 402.2005 [M + H-CH3]+, 371.1836 [M + H-CH3-OCH3]+, 347.1465 [M + H-C5H10]+, 316.1280 [M + H-C5H10-OCH3]+, 301.1048 [M + H-CH3-OCH3-5CH2]+ | Schisandrin A* | Lignan |
2 | 17.4 | [M + H]+ | 401.8561 | − 5.7 | 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* | Lignan |
3 | 15.5 | [M + H]+ | 417.1892 | − 3.8 | 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* | Lignan |
4 | 15.5 | [M + H]+ | 537.2101 | − 3.4 | C30H32O9 | 538.1772 [M + H]+, 415.1742 [M + H-C6H5COOH]+, 371.1482 [M + H-C6H5COOH-CH3CHO]+, 340.1298 [M + H-C6H5COOH-CH3CHO-OCH3]+ | Schisantherin A* | Lignan |
5 | 17.6 | [M + H]+ | 385.1646 | 0.1 | C22H24O6 | 385.1650 [M + H]+, 355.1546 [M + H-OCH3]+, 285.0754 [M + H-OCH3-C5H10]+ | Schisandrin C* | Lignan |
6 | 15.3 | [M + H]+ | 403.2098 | − 4.3 | C23H30O6 | 403.2080 [M + H]+, 388.1849 [M + H-CH3]+, 371.1827 [M + H-CH3-OH]+, 340.1645 [M + H-CH3-OH-OCH3]+, 325.1410 [M + H-2CH3-OH-OCH3]+ | Schisanhenol* | Lignan |
7 | 16.1 | [M + H]+ | 515.2263 | − 2.4 | C28H34O9 | 515.2228 [M + H]+, 469.2183 [M + H–CO-H2O]+, 385.1615 [M + H–CO-H2O-C5H8O]+, 354.1441 [M + H–CO-H2O-C5H8O-OCH3]+ | Schisantherin B | Lignan |
8 | 14.8 | [M + H]+ | 431.2033 | − 5.6 | C24H30O7 | 431.2033 [M + H]+, 400.1865 [M + H-OCH3]+, 372.1549 [M + H-OCH3-C2H4]+, 356.1598 [M + H-OCH3-C2H4-O]+ | Schinsanlignone A | Lignan |
9 | 16.17 | [M + H]+ | 387.1790 | − 3.2 | C22H26O6 | 387.1786 [M + H]+, 372.1557 [M + H-CH3]+, 357.1676 [M + H-CH3-OH]+ | Gomisin M2 | Lignan |
10 | 13.1 | [M + H]+ | 389.1940 | − 4.8 | C22H28O6 | 389.1935 [M + H]+, 357.1678 [M + H-OCH3]+, 326.1500 [M + H-2OCH3]+ | Gomisin J | Lignan |
11 | 13.9 | [M + H]+ | 391.2113 | − 0.8 | C22H30O6 | 391.2113 [M + H]+, 327.1602 [M + H-2OCH3]+, 257.0815 [M + H-2OCH3-C7H6O2]+ | Pregomisin | Lignan |
12 | 12.9 | [M + H]+ | 401.1591 | − 0.9 | C22H24O7 | 401.1602 [M + H]+, 352.1309 [M + H-OCH3]+, 337.1058 [M + H-OCH3-CH3]+ | Gomisin R | Lignan |
13 | 12.9 | [M + H]+ | 531.2206 | − 3.5 | C28H34O10 | 531.2152 [M + H]+, 485.2161 [M + H-CH2O2]+, 401.1588 [M + H-C5H8O]+, 383.1488 [M + H-C5H8O-H2O]+ | Gomisin D | Lignan |
14 | 15.5 | [M + H]+ | 415.1742 | − 4.4 | C23H26O7 | 415.1742 [M + H]+, 385.1644 [M + H-CH2O]+, 371.1481 [M + H-CH2O-CH3]+ | Neoisostegane | Lignan |
15 | 14.5 | [M + H]+ | 523.6521 | − 4.0 | C30H34O8 | 523.2287 [M + H]+, 493.1810 [M + H-2CH3]+, 409.1613 [M + H-2CH3-C6H5-2H2O]+ | Benzoyl-gomisin-H | Lignan |
16 | 17.0 | [M + H]+ | 219.1733 | − 4.7 | C15H22O | 219.1743 [M + H]+, 201.1632 [M + H-H2O]+, 175.1465 [M + H-H2O-2CH3]+ | Chamigrenal | Organic acid |
17 | 17.6 | [M + H]+ | 521.2156 | − 2.7 | C30H32O8 | 521.2134 [M + H]+, 421.1615 [M + H-C5H8O2]+ | Benzoylgomisin O | Lignan |
18 | 12.4 | [M + H]+ | 433.1891 | − 2.9 | C24H32O7 | 433.1891 [M + H]+, 384.1905 [M + H-CH4O2]+, 369.1672 [M + H-CH4O2-CH3]+, 338.1488 [M + H-CH4O2-CH3-CH3O]+ | Schisandrin* | Lignan |
19 | 11.2 | [M + H]+ | 419.2052 | − 2.9 | C23H30O7 | 419.2062 [M + H]+, 369.1693 [M + H-CH3-2OH]+, 323.1276 [M + H-2CH3-2OH-CO]+ | Gomisn S/T | Lignan |
20 | 17.6 | [M + H]+ | 537.2463 | 1.8 | C31H36O8 | 537.2463 [M + H]+, 437.1931 [M + H-C5H8O2]+, 384.1933 [M + H-C5H8O2-H2O-OCH3]+ | Benzoylgomisin Q | Lignan |
21 | 2.4 | [M + H]+ | 221.0655 | 2.3 | C8H12O7 | 221.0655 [M + H]+, 157.0484 [M + H-OH-COOCH3]+, 139.0023 [M + H-OH-COOCH3-H2O]+ | Dimethyl citrate | Organic acid |
22 | 18.9 | [M + H]+ | 471.3459 | − 2.1 | C30H46O4 | 471.3467 [M + H]+, 453.3241 [M + H-H2O]+, 435.3241 [M + H-2H2O]+ | Nigranoic acid | Organic acid |
23 | 12.0 | [M + H]+ | 531.2594 | 1.0 | C29H38O9 | 531.2596 [M + H]+, 471.2378 [M + H-2CH2O]+, 443.2426 [M + H–CO-2CH2O]+, 425.2342 [M + H–CO-2CH2O-H2O]+ | Angeloylgomisin Q | Lignan |
24 | 11.1 | [M + H]+ | 499.2328 | 0.6 | C28H34O8 | 499.2328 [M + H]+, 481.2217 [M + H-H2O]+, 463.2100 [M + H-2H2O]+, 421.2009 [M + H-2H2O-C2H2O]+ | Angeloylisogomisin O | Lignan |
25 | 15.2 | [M + H]+ | 235.1722 | 3.2 | C15H22O2 | 235.1722 [M + H]+, 217.1615 [M + H-H2O]+, 199.1513 [M + H-2H2O]+ | β-chamigrenic acid | Organic acid |
26 | 21.0 | [M + H]+ | 455.3521 | 6.17 | C30H46O3 | 455.3521 [M + H]+, 437.3411[M + H-H2O]+, 419.3304 [M + H-2H2O]+, 401.3363 [M + H-3H2O]+ | Schisandronic acid | Organic acid |
27 | 21.3 | [M + H]+ | 391.3340 | − 1.0 | C24H38O4 | 391.3340 [M + H]+, 279.1769 [M + H-7CH2-CH3 + H]+ | Merulinic acid A | Organic acid |
28 | 1.2 | [M-H]+ | 191.0187 | − 3.2 | C6H8O7 | 191.0187 [M-H]+, 173.0107 [M-H-H2O]+, 155.0016 [M-H-2H2O]+ | Citric acid | Organic acid |
29 | 20.1 | [M-H]+ | 456.3606 | 4.7 | C30H48O3 | 456.3606 [M-H]+, 409.3486 [M-H-COOH]+ | Betulinic acidBetulinic acid | Organic acid |
30 | 0.9 | [M-H]+ | 133.0172 | 1.4 | C4H6O5 | 133.0172 [M-H]+, 115.0065 [M-H-H2O]+, 114.6473 [M-H-H2O-H]+ | Malic acid | Organic acid |
31 | 1.1 | [M-H]+ | 173.0093 | 0.8 | C7H10O5 | 173.0093 [M-H]+, 129.0220 [M-H-2H2O-COOH]+ 111.0105 [M-H-3H2O-COOH]+ | Shikimic acid | Organic acid |
32 | 4.3 | [M-H]+ | 291.0876 | 4.4 | C15H14O6 | 291.0860 [M-H]+, 207.0649 [M-H-5OH]+, 189.0554 [M-H-5OH-H2O]+, 161.0601 [M-H-6OH-H2O]+ | Catechin | Organic acid |