Research Article
The Correlation between Chemical Composition, as Determined by UPLC-TOF-MS, and Acute Toxicity of Veratrum nigrum L. and Radix paeoniae alba
Table 3
The chemical components that were highly positively correlated with toxicity (
).
| Number | | tR (min) | Assigned identity | Molecular formula | Mean measured mass (Da) | Theoretical exact mass (Da) | Mass accuracy (ppm) |
| 1 | 0.9779 | 12.98 | 3-Veratroylgermine | C36H53NO11 | 676.3667 | 675.8061 | 0.1805 | 2 | 0.9661 | 12.39 | Jervine | C27H39NO3 | 426.3004 | 425.6035 | 2.3624 | 3 | 0.9589 | 12.61 | Veretramine | C27H39NO2 | 410.3042 | 409.6041 | 2.9751 | 4 | 0.9581 | 13.43 | Germanitrine | C39H59NO11 | 718.4169 | 717.8859 | 2.5015 | 5 | 0.9402 | 12.20 | Germidine | C34H53NO10 | 636.3412 | 635.7853 | 0.5755 | 6 | 0.9393 | 13.40 | Germerine | C37H59NO11 | 716.3999 | 693.8645 | 0.3408 | 7 | 0.9390 | 12.91 | 3-Angeloylzygadenine | C32H49NO8 | 576.3557 | 575.7334 | 1.2708 | 8 | 0.9311 | 10.35 | 11-Deoxojervine | C27H41NO2 | 412.3189 | 411.6199 | 6.4392 | 9 | 0.9240 | 1.57 | 1,3-Dihydroxy-5-jervanin-12-en-11-one | C27H41NO4 | 444.3088 | 443.6187 | 2.4040 | 10 | 0.9237 | 6.96 | Jervinone | C27H37NO3 | 424.2860 | 423.5876 | 2.0140 | 11 | 0.9182 | 11.25 | Neogermbudine | C37H59NO12 | 732.3971 | 709.8639 | 4.9169 | 12 | 0.9143 | 4.25 | Germine | C27H43NO8 | 510.3059 | 509.6322 | 1.5549 | 13 | 0.9131 | 4.18 | Neogermine, Veramanine | C27H43NO5 | 462.3213 | 461.6340 | 1.4522 | 14 | 0.9034 | 11.58 | Veraline B | C27H45NO3 | 432.3465 | 431.6511 | 2.9646 | 15 | 0.8978 | 11.16 | Verdine | C27H41NO5 | 460.3056 | 459.6181 | 1.5249 | 16 | 0.8903 | 11.63 | Stenophylline A | C36H51NO11 | 674.3474 | 673.7902 | 9.8655 | 17 | 0.8870 | 10.35 | Germitrine | C39H61NO12 | 736.4278 | 735.9011 | 0.8288 | 18 | 0.8805 | 9.14 | Polydatin | C20H22O8 | 429.0937 | 390.3839 | 3.4849 | 19 | 0.8738 | 10.81 | Cervdine | C32H49NO9 | 592.3498 | 591.7328 | 2.0608 | 20 | 0.8675 | 12.34 | 3-Veratrum acyl protoveratrine | C36H51NO12 | 690.3482 | 689.7896 | 1.0609 | 21 | 0.8671 | 12.89 | Zygadenitic acid δ-lactone-16-angelate | C32H47NO8 | 574.3408 | 573.7175 | 4.8884 | 22 | 0.8652 | 12.32 | Maackinine | C39H59NO11 | 718.4171 | 717.8859 | 0.6797 | 23 | 0.8641 | 12.38 | Rubijervine; rubivirine; etioline; epirubijervine; Isorubijervine | C27H43NO2 | 414.3357 | 413.6358 | 3.6827 | 24 | 0.8639 | 10.49 | Solanidine | C27H43NO3 | 430.3308 | 429.6352 | 3.0494 | 25 | 0.8492 | 10.57 | Pseudojervine | C32H49NO8 | 588.3525 | 587.7441 | 1.9710 | 26 | 0.8444 | 11.81 | Neojerminalanine | C39H61NO13 | 752.4244 | 751.9005 | 3.0014 | 27 | 0.8379 | 8.43 | Zygacine | C29H45NO8 | 536.3223 | 535.6695 | 0.0000 | 28 | 0.8358 | 13.20 | Neoverataline B | C27H42N2O9 | 556.3260 | 538.6304 | 4.079 | 29 | 0.8201 | 12.80 | 3-Veratroylzygadenine | C36H51NO10 | 696.3187 | 657.7908 | 5.3469 | 30 | 0.8176 | 5.83 | Zygadenine | C27H43NO7 | 494.3110 | 493.6328 | 1.5434 | 31 | 0.8176 | 0.54 | γ-Aminobutyric acid | C4H9NO2 | 246.0978 | 103.1198 | 1.6121 | 32 | 0.8160 | 12.73 | Veratrosine | C33H49NO7 | 616.3528 | 571.7447 | 6.8329 | 33 | 0.8128 | 13.22 | Stenophylline A | C37H55NO10 | 674.3901 | 673.8333 | 0.5430 | 34 | 0.8119 | 13.34 | 7-Acetyl-15-methylbutyryl-3- veratroylgermine | C43H61NO13 | 838.3791 | 799.9433 | 1.3104 | 35 | 0.8017 | 12.13 | Vanilloylzygadenine | C35H49NO10 | 644.3444 | 643.7643 | 1.5156 |
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