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. 2024 Oct 20;29(20):4962. doi: 10.3390/molecules29204962

Table 1.

Annotation of differential compounds UHPLC-Q-Exactive-MS/MS analysis from two-color ginseng berries samples.

NO. t/min Extract m/z Metabolites Formula Monoisotopic Mass Adducts Mass Error (mDa) FC Log2(FC)
1 1.03 371.1203 Feruloyltartaric acid C14H14O9 326.0632 M + FA-H 12 0.74 −0.43
2 1.1 337.0898 3-O-p-Coumaroylquinic acid C16H18O8 338.0996 M-H 6 2.11 1.08
3 1.2 551.0994 Quercetin 3-O-(6″acetyl-glucoside) C23H22O13 506.1054 M + FA-H 3 3.32 1.73
4 1.36 337.0707 Ovalitenone C19H14O6 338.0784 M-H 0 0.39 −1.37
5 1.39 385.0787 Cichoriin C15H16O9 340.0788 M + FA-H 7 2.05 1.04
6 1.62 391.1012 Garcimangosone D C19H20O9 392.1101 M-H 3 0.21 −2.22
7 10.96 845.4908 Ginsenoside Rg1 C42H72O14 800.4916 M + FA-H 5 1.78 0.83
8 11.23 991.5483 Ginsenoside Re C48H82O18 946.5495 M + FA-H 2 2.40 1.26
9 11.38 969.5128 2′-O-Acetyl-akebia saponin D C49H78O19 970.5131 M-H 8 6.17 2.63
10 15.94 1031.543 Ginsenoside mRe C51H84O21 1032.5499 M-H 1 2.50 1.32
11 16 987.5531 Ac-ginsenoside Re C50H84O19 988.5601 M-H 1 2.43 1.28
12 16.02 1055.539 Pubescenoside D C53H84O21 1056.5499 M-H 3 7.48 2.90
13 19.58 845.4908 Ginsenoside Rf C42H72O14 800.4916 M + FA-H 8 2.79 1.48
14 20.54 815.4803 Ginsenoside F3 C41H70O13 770.4810 M + FA-H 6 2.05 1.04
15 21.56 829.4957 Ginsenoside Rg2 C42H72O13 784.4967 M + FA-H 5 3.05 1.61
16 21.85 815.4798 Ginsenoside F5 C41H70O13 770.4810 M + FA-H 6 1.75 0.81
17 21.92 1107.593 Ginsenoside Rb1 C54H92O23 1108.6023 M-H 1 2.49 1.32
18 21.94 1131.595 Quinquenoside R1 C56H94O24 1150.6129 M-H20-H 0 4.00 2.00
19 22.32 1193.596 Ginsenoside mRb1 C57H94O26 1194.6027 M-H 1 2.31 1.21
20 22.56 1123.59 Ginsenoside Rc C53H90O22 1078.5918 M + FA-H 4 2.37 1.24
21 22.59 1077.583 Ginsenoside Rb2 C53H90O22 1078.5918 M-H 1 2.59 1.37
22 22.62 1191.578 Diosgenin 3- [glucosyl-(1->6)-glucosyl-(1->4)-rhamnosyl-(1->4) [rhamnosyl-(1->2)]-glucoside] C57H92O26 1192.5871 M-H 3 2.58 1.37
23 23 1163.585 Ginsenoside mRc C56H92O25 1164.5922 M-H 1 2.34 1.23
24 23.06 1119.593 Ginsenoside Rs1 C55H92O23 1120.6023 M-H 1 2.32 1.22
25 24.64 1163.585 Ginsenoside mRb2 C56H92O25 1164.5922 M-H 0 2.29 1.19
26 24.66 1119.595 Ginsenoside Rs2 C55H92O23 1120.6023 M-H 0 2.29 1.19
27 24.7 991.5481 Ginsenoside Rd C48H82O18 946.5495 M + FA-H 5 1.74 0.80
28 24.72 969.5121 3′-O-Acetyl-akebia saponin D C49H78O19 970.5131 M-H 7 2.55 1.35
29 25.12 1031.543 Ginsenoside mRd C51H84O21 1032.5499 M-H 1 1.54 0.62
30 25.18 987.5521 AcO-Ginsenoside Rd C50H84O19 988.5601 M-H 0 1.53 0.61
31 27.78 829.4958 Ginsenoside Rg3 C42H72O13 784.4967 M + FA-H 5 1.35 0.44