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. 2024 Jun 28;29(13):3092. doi: 10.3390/molecules29133092

Table 1.

Identification of shared differential ginsenoside compounds using UHPLC-Q-Exactive-MS/MS analysis.

Pattern No. Extract m/z t/min Metabolites Formula Monoisotopic Mass Adduct Mass Error (mDa) 1 vs. 3 1 vs. 5 1 vs. 7 1 vs. 9
ESI 1 435.0563 0.82 3,4-Dihydroxyphenylpyruvate C15H20O10 195.0299 2M+FA-H 4 −1.59 −2.21 −2.49 −2.42
2 777.1628 1.16 3-Methylbutyl glucosinolate C6H12N3PS 389.0814 2M-H 9 −2.36 −3.26 −3.54 −3.32
3 779.1603 1.16 Dimethyl 2-galloylgalactarate C30H40O6 390.0798 2M-H 10 −2.30 −3.20 −3.47 −3.28
4 719.2043 1.17 3-Methoxy-4-hydroxyphenylglycol glucuronide C54H92O23 360.1056 2M-H 0 −2.06 −3.02 −3.30 −2.96
5 539.14 1.24 Phenylglucuronide C29H40N8O5 270.0740 2M-H 1 −1.28 −1.97 −2.21 −1.99
6 767.5313 1.26 Persicachrome C58H98O26 384.2664 2M-H 7 0.26 0.83 1.58 1.49
7 387.1176 5.84 Ferulic acid C54H92O24 194.0579 2M-H 23 4.14 1.60 3.44 3.61
8 455.1047 5.84 Epicatechin 3-O-(4-methylgallate) C53H90O22 456.1056 M-H 14 8.87 1.94 7.44 7.80
9 767.5309 5.88 Persicaxanthin C48H82O18 384.2664 2M-H 7 1.34 1.32 2.11 1.69
10 377.0881 5.94 3,3′,5-Trihydroxy-4′,7-dimethoxyflavanone C42H66O14 332.0896 M+FA-H 1 7.14 1.30 6.45 6.64
11 991.5515 15.38 Ginsenoside Re C10H10O4 946.5501 M+FA-H 3 −2.28 −3.39 −3.99 −3.67
12 815.4829 21.62 Majonoside R1 C12H14O7 816.4871 M-H 4 −2.01 −3.27 −4.01 −3.62
13 1107.596 24.96 Ginsenoside Rb1 C12H23NO9S2 1108.6029 M-H 0 −2.70 −4.30 −4.96 −4.70
14 955.4933 26.04 Ginsenoside Ro C29H46O3 956.4981 M-H 3 −1.87 −2.80 −3.01 −1.89
15 561.293 26.23 Hordatine B C15H18O12 580.3122 M-H2O-H 1 −2.87 −4.20 −4.77 −4.51
16 1209.629 26.43 Ginsenoside Ra1 C25H36O3 1210.6346 M-H 1 −2.73 −4.30 −4.85 −4.41
17 1123.594 27.05 Ginsenoside Rb2 C23H20O10 1078.5924 M+FA-H 3 −2.32 −3.63 −4.23 −3.97
18 1077.584 27.24 Ginsenoside Rc C25H36O3 1078.5924 M+FA-H 3 −2.50 −4.02 −4.75 −4.42
19 945.5425 28.76 Ginsenoside Rd C12H22O11 946.5501 M-H 0 −2.37 −3.98 −4.76 −4.37
20 793.4408 34.44 Spinasaponin A C42H66O14 794.4453 M-H 4 −2.35 −3.45 −4.38 −4.34
21 333.2318 42.87 (S)-10,16-Dihydroxyhexadecanoic acid C16H32O4 288.2301 M+FA-H 11 −0.62 3.28 0.17 0.95
22 369.2081 42.87 Ecgonine C9H15NO3 185.1052 2M-H 14 −0.46 2.85 0.13 0.74
23 423.33 44.04 Camellenodiol C29H46O3 442.3447 M-H2O-H 9 −1.05 2.79 −0.02 1.48
ESI+ 24 462.3461 1.39 Galactosylsphingosine C24H47NO7 461.3353 M+H 8 0.42 0.89 1.14 1.13
25 367.2169 1.44 Demethoxyfumitremorgin C C21H23N3O2 349.1790 M+NH4 11 0.00 0.24 0.69 0.43
26 300.2 1.92 Miltirone C19H22O2 282.1620 M+NH4 14 −0.55 2.29 0.65 0.23
27 328.2313 1.97 Menaquinol C21H26O2 310.1933 M+NH4 13 −0.35 2.68 1.02 0.63
28 344.2258 2.12 Isopiperolein B C19H30O5 343.2147 M+H 11 −0.46 2.65 0.69 0.24
29 327.2 2.18 Heptaethylene glycol C14H30O8 326.1941 M+H 6 −0.50 2.60 0.67 0.20
30 388.2518 2.44 Octaethylene glycol C16H34O9 370.2203 M+NH4 6 −0.43 2.92 0.77 0.30
31 460.3084 2.85 Muzanzagenin C27H38O5 442.2719 M+NH4 4 −0.41 3.55 0.85 0.29
32 476.3039 3.34 Lucidenic acid A C27H38O6 458.2668 M+NH4 5 −0.46 3.14 0.83 0.32
33 605.3827 3.92 Ginsenoyne H C19H26O3 302.1882 2M+H 2 1.06 −0.45 2.17 1.04
34 567.4277 3.92 Cryptocapsone C40H54O2 566.4124 M+H 14 0.92 −0.18 1.35 0.96
35 679.5078 3.92 Avocadene 1-acetate C19H36O4 328.2614 2M+Na 6 −0.17 0.13 −0.11 −0.03
36 358.2571 43.05 2-alpha-Ethoxydihydrophytuberin C19H32O5 340.2250 M+NH4 5 −0.13 −0.01 −0.21 0.09
37 359.2593 43.16 Isolinderanolide C21H36O3 336.2664 M+Na 10 0.07 0.09 0.02 0.09

Note: 1 vs. 3, 1 vs. 5, 1 vs. 7, and 1 vs. 9 mean Log 2 (fold change).