Table 1.
Chemical composition of T. catharinensis extract by ESI(+)-MS e ESI(+)-MS/MS.
| Entry | Precursor ion m/z |
Fragmentation ms/ms (%) [MS2] {MS3} |
Identification | Elem. comp. | Diff. ppm | Fragmentation pathways | References |
|---|---|---|---|---|---|---|---|
| 1 | 309.1963 | 291.1864(35); 202.1232(5); 158.0968(17); 138.0917(16) | Affinisine | C20H24N2O | 0.646 | 291.1864[M-OH]; 202.1232[M-C7H8N]; 158.0968[M-C9H12NO] |
[9, 17] |
|
| |||||||
| 2 | 325.1918 | 308.1891(15); 307.1814(13) [289.1706(4); 265.1700(100) {234.1281(11); 122.0966(8)}176.1071(5)]; 265.1706(5); 152.1074(12) |
16-epi-Affinine | C20H24N2O2 | 2.460 | 308.1891[M-OH]; 265.1700[M-C2H3O2]; 152.1074[M-C11H10NO] | [18] |
|
| |||||||
| 3 | 353.1866 | 322.1443(9); 321.1606(33), [293.1654(65), 275.1548(22) 264.1388(100), 221.1078(24), 211.0870(65), 183.0921(98)] 290.1184(6) |
Vobasine | C21H24N2O3 | 1.981 | 322.1443[M-C2H6]; 293.1654[M-C2H4O2] 275.1548[M-C2H6O3]; 264.1388[M-C3H7NO2] |
[19] |
|
| |||||||
| 4 | 355.2023 | 337.1920(100) [305.1656(60); 277.1706(21); 216.1024(8); 144.0811(9)]; 323.1762(7); 305.1657(60) [290.1418(22); 277.1704(100) {207.0921(10)}; 235.0869(67); 184.0760(36); 174.0916(33)] | Coronaridine-hydroxyindolenine | C21H26N2O3 | 1.970 | 337.1920[M-OH]; 323.1762[M-CH3O] 305.1657[M-CH4O2]; 277.1704[M-C2H5O3] | [20] |
|
| |||||||
| 5 | 367.2023 | 337.1921(100) [305.1655(28); 172.1125(16); 158.0967(34)]; 335.1765(7); 305.1658(23); 172.1126(31); 166.0868(5); 158.0969(7) | Voachalotine | C22H26N2O3 | 1.906 | 337.1921[M-CH3OH]; 305.1655[M-C2H4O2] 172.1125[M-C12H12NO3]; 158.0969[M-C11H15NO3] |
[21] |
|
| |||||||
| 6 | 385.2128 | 367.2024(100), [335.1761(100), {307.1812(40), 265.0977(21), 214.0867(9), 174.0917(15)}; 307.1810(100) 246.1130(19); 174.0918(10)]; 335.1765(20); 307.1815(7) | Derivative of voacristine or voacangine | n.d | |||
|
| |||||||
| 7 | 401.2075 | 383.1975(100) [365.1867(100); {333.1604(20); 201.1026(26)} 351.1711(21); 337.1553(21); 201.0976(23)]; 365.1867(62); [351.1711(21); 337.1553(21); 333.1605(7); 323.1760(8); 201.1027(23)]; 351.1715(7); 201.1029(6) |
Voacristine- hydroxyindolenine |
C22H28N2O5 | 1.246 | 383.1975[M-OH]; 365.1867[M-O2H4] 351.1711[M-CH7O2]; 333.1604[M-CH7O3] 201.1027[M-C10H15O4] |
[17] |
|
| |||||||
| 8 | 411.2283 | 381.2181(100); 349.1917(100); [334.1681(16); 321.1966(10); 317.1654(15); 266.1544(35); {251.1309(21); 237.1151(44)}]; 200.1076(100); [185.0839(14); 169.0890(12)]; 180.1024(25) | 12-Methoxy-n-methyl-voachalotine | C24H31N2O4 | 1.215 | 381.2181[M-CH4O]; 349.1917[M-C2H6O2] 334.1681[M-C3H8O2]; 321.1966[M-C3H7O3] 200.1076[M-C11H15NO3] | [22] |
|
| |||||||
| 9 | 415.2126 | ni | |||||
ni: not identificated.