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. 2022 Apr 7;9:860174. doi: 10.3389/fnut.2022.860174

TABLE 1.

Characterization of bioactive components in P. vicina extract by UPLC-Q-Extractive Orbitrap MS.

No. peak Rt (time) Name Mz Exact_mass Ppm Formula Type Identify p value Fragment ions (m/z)
1 0.69 Leucine 130.0862 131.0946 0.10 C6H13NO2 [M-H]– 0.0000
2 0.72 L-Serine 106.0501 105.0426 1.00 C3H7NO3 [M+H]+ 0.0000 60.05
3 0.73 Betaine 118.0524 117.0790 3.95 C5H11NO2 [M+H]+ 0.0000 118.09, 59.03, 58.07
4 0.77 L-Isoleucine 132.1017 131.0946 0.92 C6H13NO2 [M+H]+ 0.0000 86.10
5 0.80 L-Glutamic acid 148.0597 147.0532 1.96 C5H9NO4 [M+H]+ 0.0000 130.05, 102.06, 84.04
6 0.80 Salicylic acid 137.0223 138.0317 0.63 C7H6O3 [M-H]– 0.0000 137.02, 121.03, 95.04, 93.03
7 0.88 Alanopine 160.0598 161.0688 1.90 C6H11NO4 [M-H]– 0.0005 88.04
8 0.89 Citramalic acid 147.0294 148.0372 3.47 C5H8O5 [M-H]– 0.0012 147.03, 129.06, 87.05, 85.06
9 1.02 Citric acid 191.0192 192.0270 2.25 C6H8O7 [M-H]– 0.0004 173.03, 111.01
10 1.07 L-Tyrosine 180.0015 181.0739 2.90 C9H11NO3 [M-H]– 0.0000 163.04, 119.05
11 1.10 Succinic acid 117.0150 118.0266 2.54 C4H6O4 [M-H]– 0.0000 99.01, 73.03
12 1.16 Isocitric acid 191.0192 192.0270 2.44 C6H8O7 [M-H]– 0.0000 191.04, 173.05, 129.04
13 1.18 L-Glutamine 147.0766 146.0691 0.23 C5H10N2O3 [M+H]+ 0.0000 147.05, 130.05, 119.06, 84.05
14 1.20 Trans-Cinnamic acid 147.0452 148.0475 0.95 C9H8O2 [M-H]– 0.0000 148.05, 103.06, 77.04
15 1.22 Niacinamide 123.0552 122.0480 0.29 C6H6N2O [M+H]+ 0.0000 123.06, 96.04
16 1.25 Myo-inositol 179.0541 180.0634 3.42 C6H12O6 [M-H]– 0.0000 179.06, 161.05, 104.03
17 1.26 Adenine 134.0469 135.0545 2.27 C5H5N5 [M-H]– 0.0000 134.05, 107.04
18 1.28 Glutaric acid 131.0335 132.0423 2.14 C5H8O4 [M-H]– 0.0000 84.04
19 1.30 Guanine 152.0571 151.0494 2.83 C5H5N5O [M+H]+ 0.0000 152.06, 135.03
20 1.32 Suberic acid 173.0800 174.0892 3.12 C8H14O4 [M-H]– 0.0000 173.08, 111.08
21 1.37 L-Carnitine 162.0575 161.1052 0.15 C7H15NO3 [M+H]+ 0.0000 162.11, 103.03, 85.03
22 2.34 D-Ribose 151.0353 150.0528 2.46 C5H10O5 [M+H]+ 0.0006 146.03, 128.02, 100.02
23 4.12 Uridine 243.0622 244.0695 0.02 C9H12N2O6 [M-H]– 0.0000 200.06, 110.02
24 4.59 Pyridoxamine 169.0973 168.0899 0.77 C8H12N2O2 [M+H]+ 0.0021 169.08, 151.07, 124.09
25 4.60 Vanillic acid 167.0350 168.0423 0.10 C8H8O4 [M-H]– 0.0000 167.03, 152.01
26 4.63 Pelargonic acid 159.0653 158.1307 0.04 C9H18O2 [M+H]+ 0.0000 131.97, 113.96, 85.03, 72.94
27 4.67 D-Fructose 179.0550 180.0634 0.48 C6H12O6 [M-H]– 0.0538 179.04, 161.05, 143.03, 113.03
28 6.59 Isoferulic acid 193.0513 194.0579 1.66 C10H10O4 [M-H]– 0.0000 193.05, 178.03
29 6.66 Gallic acid 169.0141 170.0215 0.39 C7H6O5 [M-H]– 0.0000 169.01, 125.02
30 6.80 Gluconic acid 195.1222 196.0583 6.65 C6H12O7 [M-H]– 0.0000 195.05, 129.02, 99.01, 75.01
31 8.80 3,4-Dihydroxybenzoic acid 153.0193 154.0295 1.18 C7H6O4 [M-H]– 0.0006 153.02, 109.03
32 9.34 10-Hydroxydecanoic acid 187.1330 188.1412 0.67 C10H20O3 [M-H]– 0.0238 187.12, 125.10
33 9.41 Ascorbic acid 175.0239 176.0321 0.42 C6H8O6 [M-H]– 0.0647 175.02, 157.01
34 9.45 D-Tryptophan 205.0972 204.0899 0.19 C11H12N2O2 [M+H]+ 0.0000 188.07, 146.06
35 10.27 Scopoletin 191.0341 192.0423 4.43 C10H8O4 [M-H]– 0.0075 191.03, 176.01
36 11.44 Myristic acid 229.1798 228.2089 2.27 C14H28O2 [M+H]+ 0.0002
37 11.69 Hordenine 166.1226 165.1154 0.22 C10H15NO [M+H]+ 0.3088 166.01, 120.08
38 12.31 Palmitoleic acid 253.2174 254.2246 0.21 C16H30O2 [M-H]– 0.0000
39 12.35 Pantothenic acid 220.1179 219.1107 0.37 C9H17NO5 [M+H]+ 0.0000 202.11, 90.06
40 12.37 Formononetin 267.0651 268.0736 2.38 C16H12O4 [M-H]– 0.0000 267.07, 253.08, 197.07
41 12.64 Palmitic acid 255.0736 256.2402 4.83 C16H32O2 [M-H]– 0.0000 255.16, 237.22
42 12.71 Undecanoic acid 186.9565 186.1620 0.02 C11H22O2 [M+H]+ 0.0000 163.02, 109.03
43 12.79 Liquiritigenin 255.0800 256.0736 3.37 C15H12O4 [M-H]– 0.0177 255.10, 135.02, 119.03, 91.00
44 12.81 Quercetin 301.0352 302.0427 0.18 C15H10O7 [M-H]– 0.0001 301.04, 257.11, 179.00, 151.00
45 12.88 Riboflavin 377.1455 376.1383 0.18 C17H20N4O6 [M+H]+ 0.0000 377.14, 243.09
46 12.88 Caffeic acid 179.0350 180.0425 0.09 C9H8O4 [M-H]– 0.0000 179.04, 135.05, 134.07
47 13.09 Naringenin 273.0763 272.0685 0.41 C15H12O5 [M+H]+ 0.0548 273.10, 253.05, 153.02
48 13.80 Catechin 289.0718 290.0831 2.95 C15H14O6 [M-H]– 0.1413 289.07, 245.08, 203.07, 123.05, 109.03
49 13.85 Coumesterol 267.0295 268.0372 1.53 C15H8O5 [M-H]– 0.0000 267.05
50 13.89 Oleic acid 281.2487 282.2560 0.02 C18H34O2 [M-H]– 0.0000
51 13.97 Gamma-Linolenic acid 279.2321 278.2246 0.78 C18H30O2 [M+H]+ 0.1009 279.21, 233.18, 205.13, 149.08
52 14.70 Stearidonic acid 277.2161 276.2089 0.25 C18H28O2 [M+H]+ 0.0000 277.22, 251.21
53 16.27 Sakuranetin 285.0764 286.0841 1.45 C16H14O5 [M-H]– 0.0032 285.06, 267.07, 165.02
54 16.33 Epicatechin 289.0690 290.0790 4.44 C15H14O6 [M-H]– 0.0000 289.04, 245.04
55 16.83 Nonadecanoic acid 299.2581 298.2872 0.32 C19H38O2 [M+H]+ 0.0000 299.18, 184.07
56 17.25 Abscisic acid 263.1287 264.1362 0.86 C15H20O4 [M-H]– 0.3167 263.13, 219.12
57 17.30 Arachidonic acid 303.2323 304.2402 2.17 C20H32O2 [M-H]– 0.0000 303.23, 259.01
58 18.23 Octadecenoic acid 281.2487 282.2559 0.30 C18H34O2 [M-H]– 0.0000 281.25
59 18.27 Arachidic acid 311.1689 312.3028 1.67 C20H40O2 [M-H]– 0.0000 311.23
60 18.41 Docosapentaenoic acid 329.2483 330.2559 0.85 C22H34O2 [M-H]– 0.0000 329.26