Table 2 Compounds identified from tissue extractions of Panax quinquefolium samples
Peak no. | Identity | tR (min) | Molecular formular | [M−H]+ | [M−H+HCOOH]+ (mass accuracy, ppm) | Fragments of [M−H]+ (m/z) | ||
|---|---|---|---|---|---|---|---|---|
Mean measured mass (Da) | Theoretical exact mass (Da) | Mass accuracy (ppm) | ||||||
1 | 20-Glc-G-Rf | 6.58 | C48H82O19 | 961.5522 | 961.5378 | 14.98 | 1007.5578 | 799.5047 [M−H−Glc]− |
2 | Notoginsenoside R1 | 7.04 | C47H80O18 | 931.5186 | 931.5278 | −9.88 | 977.5465 | 799.5026 [M−H−Xyl]− 637.4285[M−H−Glc−Xyl]−; |
3 | G-Rg a1 | 8.04 | C42H72O14 | 799.4975 | 799.4849 | 15.76 | 845.5026 | 637.4360 [M−H−Glc] − 475.3785 [M−H−2Glc]− |
4 | G-Rea | 8.12 | C48H82O18 | 945.5548 | 945.5428 | 12.69 | 991.5630 | 799.4935 [M−H−Rha]− 783.5029 [M−H−Glc]− 637.4407 [M−H−Rha−Glc] – |
5 | Malonyl-G-Rg1 | 9.25 | C45H74O17 | 885.5082 | 885.4853 | 25.86 | – | 841.3240 [M−H−CO2]− |
6 | Malonyl-G-Re isomer | 9.56 | C51H84O21 | 1031.5547 | 1031.5432 | 11.15 | – | 987.5678[M−H−CO2]− |
7 | Malonyl-G-Re | 10.32 | C51H84O21 | 1031.5549 | 1031.5432 | 11.34 | – | 987.5644[M−H−CO2]− |
8 | Floralquinquenoside B | 11.73 | C42H72O15 | 815.4884 | 815.4793 | 11.16 | – | 637.4381[M−H−Rha−CH3OH]− |
9 | Floralquinquenoside D | 12.65 | C42H72O15 | 815.4882 | 815.4793 | 10.91 | 861.5002 | 653.4360 [M−H−Glc]− |
10 | Unknown | 13.26 | – | 961.5559 | – | – | 1007.5580 | – |
11 | Notoginsenoside Rw2 | 14.43 | C41H70O14 | 785.4780 | 785.4687 | 11.84 | 831.4871 | 653.4361 [M−H−Xyl]− 491.3674 [M−H−Xyl−Glc]− |
12 | Pseudoginsenoside F11 | 14.99 | C42H72O14 | 799.4831 | 799.4844 | −1.63 | 845.5015 | 653.4385 [M−H−Rha]− |
13 | Notoginsenoside R2 | 15.89 | C41H70O13 | 769.4573 | 769.4738 | −21.44 | 815.4730 | 637.4392 [M−H−Xyl]− 475.3839 [M−H− Xyl−Glc]− |
14 | 20 (S)-G-Rg a2 | 17.23 | C42H72O13 | 783.5029 | 783.4900 | 16.46 | 829.5054 | 637.4394 [M−H−Rha]− 475.3734 [M−H−Rha−Glc]− |
15 | G-Rb a1 | 18.38 | C54H92O23 | 1107.6097 | 1107.5957 | 12.64 | – | 945.5552[M−H−Glc]− 783.5012 [M−H−2Glc] − |
16 | Malonyl-G-Rb1 | 18.99 | C57H94O26 | 1193.6113 | 1193.5961 | 12.73 | – | 1149.6201[M−H−CO2]− |
17 | G-Ro | 19.33 | C48H76O19 | 955.5077 | 955.4908 | 17.69 | – | 793.2586[M−H−Glc]− |
18 | G-Rc | 19.34 | C53H90O22 | 1077.5730 | 1077.5871 | −13.08 | – | 945.5660 [M−H−Araf]− 783.4980 [M−H−Araf −Glc]− |
19 | Malonyl-G-Rb1 isomer I | 19.63 | C57H94O26 | 1193.6142 | 1193.5961 | 15.16 | – | 1149.6185[M−H−CO2]− |
20 | Unknown | 19.80 | – | 1087.5461 | – | – | – | |
21 | Malonyl-G-Ra2 | 19.97 | C56H92O25 | 1163.5993 | 1163.5855 | 11.86 | – | 1119.6041[M−H−CO2]− |
22 | Malonyl-G-Rb1 isomer II | 20.38 | C57H94O26 | 1193.6101 | 1193.5961 | 11.73 | – | 1149.6192[M−H−CO2]− |
23 | G-Rb a2 | 20.47 | C53H90O22 | 1077.5683 | 1077.5851 | −15.59 | 1123.6337 | 945.5674 [M−H−Arap]− |
24 | G-Rb3 | 20.79 | C53H90O22 | 1077.5977 | 1077.5851 | 11.69 | 1123.6637 | 945.5587 [M−H−Xyl]− 915.5474 [M−H−Glc]− |
25 | Unknown | 20.91 | – | 1119.6015 | – | – | – | 925.4844 |
26 | Ma- Rb2/Rb3 isomer | 21.34 | C56H92O25 | 1163.5992 | 1163.5849 | 12.29 | – | 1119.6007[M−H−CO2]− |
27 | O-acetyl-G-Rb1 | 21.68 | C56H94O24 | 1149.6198 | 1149.6062 | 11.83 | 1195.6270 | 1107.6067 [M−H−Acetyl]− 945.5466 [M−H−Acetyl−Glc]− |
28 | Zingibroside R1 | 21.92 | C42H65O14 | 793.4479 | 793.4374 | 13.23 | – | 631.3332[M−H−Glc]− |
29 | G-Rda | 22.59 | C48H82O18 | 945.5548 | 945.5428 | 12.69 | 991.5613 | 783.4985 [M−H−Glc]− 621.4432 [M−H−2Glc]− |
30 | Malonyl-G-Rd | 23.18 | C51H84O21 | 1031.5614 | 1031.5432 | 17.64 | – | 987.5682[M−H−CO2]− |
31 | G-Rd isomer | 24.49 | – | 945.5543 | 945.5428 | 12.16 | 991.5069 | 783.4985 [M−H−Glc]− 621.4432 [M−H−2Glc]− |
32 | 20 (S)-G-Rg3 | 27.55 | C42H72O13 | 783.4978 | 783.4900 | 9.96 | 829.5057 | 621.4375 [M−H−Glc]− 459.4088 [M−H−2Glc]− |
33 | Chikusetsusaponin IVa | 27.69 | C42H66O14 | 793.4367 | 793.4380 | −1.64 | – | – |
34 | 20 (R)-G-Rg3 | 28.14 | C42H72O13 | 783.4982 | 783.4900 | 10.47 | 829.5065 | 621.4375 [M−H−Glc]− 459.3964 [M−H−2Glc]− |