Table 1.
Characterization of chemical compounds by UPLC-QDA and UPLC-Q-TOF/MS from VB.
| NO. | Tr (min) | QDa (m/z) | Q-TOF (m/z) | Product Ion | Q-TOF (ppm) | Formula [M + H]+ | Identification |
|---|---|---|---|---|---|---|---|
| Alkaloids | |||||||
| 1 | 1.65 | 275 | 275.1357 | 257.1235 | 0.7 | C10H19N4O5 | Unknown |
| 3 | 3.07 | 303 | 303.1671 | 250.1181 | 1 | C12H23N4O5 | Unknown |
| 5 | 3.37 | 219 | 219.1497 | 160.08 | −0.5 | C13H19N2O | Bufotenidine |
| 6 | 3.5 | 347 | 347.1931 | 294.4285; 219.1490 | −0.2 | C14H27N4O6 | Unknown |
| 7 | 3.81 | 317 | 317.1825 | 158.09; 175.12; 264.14 | 2.2 | C13H25N4O5 | Pimeloyl arginine |
| 8 | 3.94 | 203 | 203.1144 | 173.0709; 118.0649 | 3.8 | C7H15N4O3 | Unknown |
| 9 | 4.3 | 326 | 326.1716 | 124.0865 | −2.5 | C15H24N3O5 | Unknown |
| 10 | 4.42 | 331 | 331.1981 | 278.15; 158.09; 250.16 | 1.2 | C14H27N4O5 | Suberoyl arginine |
| 11 | 4.65 | 345 | 345.2138 | 159.0663 | 3.5 | C15H29N4O5 | Unknown |
| 12 | 4.87 | 359 | 359.2294 | 241.0692; 116.0694 | −2.5 | C16H31N4O5 | Unknown |
| 13 | 5.13 | 345 | 345.2138 | 302.0553; 112.0870 | 0.8 | C15H29N4O5 | Unknown |
| 14 | 6.61 | 575 | 575.3121 | 352.1914; 241.0693 | 0.5 | C34H43N2O6 | Unknown |
| 26 | 11.33 | 643 | 643.3694 | 337.1077; 275.1344 | −1.3 | C34H51N4O8 | Unknown |
| 30 | 13.1 | 715 | 715.4281 | 421.1974; 331.1978 | −0.1 | C38H59N4O9 | Unknown |
| 35 | 17.97 | 699 | 699.4349 | 536.6514; 150.9849 | 0.3 | C39H55N8O4 | Unknown |
| Bufadienolides | |||||||
| 15 | 7.02 | 417 | 417.2208 | 399.2163 | 0.3 | C24H33O6 | Iso-arenobufagin |
| 16 | 7.33 | 417 | 417.2271 | 399.2173 | −0.6 | C24H33O6 | Iso-arenobufagin |
| 17 | 8.27 | 417 | 417.2280 | 399.22; 363.19; 335.20 | 0.3 | C24H33O6 | Arenobufagin |
| 18 | 8.68 | 417 | 417.2274 | 363.19; 335.20 | −0.3 | C24H33O6 | Hellebrigenin |
| 19 | 8.91 | 417 | 417.2268 | 363.19; 335.20 | −0.9 | C24H33O6 | Iso-hellebrigenin/arenobufagin |
| 20 | 9.07 | 403 | 403.2483 | 385.24; 367.23; 349.22; 271.21 | −0.1 | C24H35O5 | Iso-telocinobufagin |
| 21 | 9.33 | 459 | 459.2386 | 363.1957; 301.1436 | 0.3 | C26H35O7 | Hydroxycinobufagin |
| 22 | 9.82 | 415 | 415.2215 | 337.1052; 317.1823 | −0.6 | C24H31O6 | Unknown |
| 23 | 10.12 | 403 | 403.2484 | 331.1976; 301.1424 | 0.0 | C24H35O5 | Unknown |
| 24 | 10.27 | 473 | 473.2164 | 367.1902; 349.1817 | -1.1 | C26H33O8 | Iso-19-oxocinobufotalin |
| 25 | 10.99 | 401 | 401.2317 | 347.1964; 301.1416 | -1.1 | C24H33O5 | Iso-desacetylcinobufagin |
| 27 | 12.08 | 403 | 403.2484 | 385.24; 367.23; 349.22; 271.21 | 0.1 | C24H35O5 | Telocinobufagin |
| 28 | 12.65 | 445 | 445.2597 | 385.24; 367.23; 349.22; 331.21 | 0.7 | C26H37O6 | Bufotalin |
| 29 | 13.00 | 399 | 399.2168 | 331.1969 | -0.3 | C24H31O5 | Unknown |
| 31 | 13.40 | 457 | 457.2226 | 397.2018; 333.1857 | 0.0 | C26H33O7 | Iso-19-oxocinobufagin |
| 32 | 13.72 | 401 | 401.2322 | 365.2052; 337.1026 | -0.6 | C24H33O5 | Iso-marinobufagin |
| 33 | 13.89 | 459 | 459.2383 | 381.21; 363.20; 345.18 | 0.5 | C26H35O7 | Cinobufatalin |
| 34 | 15.75 | 387 | 387.2535 | 351.23; 333.22; 255.21 | -0.2 | C24H35O4 | Bufalin |
| 36 | 19.14 | 385 | 385.2368 | 367.23; 321.22;271.20; 253.20 | -1.1 | C24H33O4 | Resibufogenin |
| 37 | 19.47 | 443 | 443.2434 | 365.21; 347.20; 329.19 | 0.2 | C26H35O6 | Cinobufagin |