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Table 2 Compounds identified from tissue extractions of Panax quinquefolium samples

From: Tissue-specific metabolite profiling and quantitative analysis of ginsenosides in Panax quinquefolium using laser microdissection and liquid chromatography–quadrupole/time of flight-mass spectrometry

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 1 a 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 2 a 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 1 a 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 2 a 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]
  1. G ginsenoside, Glc β-d-glucopyranosyl, Rha α-l-rhamnopyranosyl, Xyl β-d-xylopyranosyl, Araf α-l-arabinofuranosyl, Arap α-l-arabinopyranosyl
  2. aIdentified with chemical marker