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. 2023 Oct 9;13(42):29438–29449. doi: 10.1039/d3ra05698h

Optimized parameters of targeted compounds for quantitative analysis in MRM mode.

No. Compound name Formula RT (min) Molecular mass Precursor ion (m/z) Product ion (m/z) Fragmentor (V) Collision energy (V) Monitoring ion
1 Ascorbic acid C6H8O6 0.43 176.12 175.00 115.00 80 4 [M − H]
2 Malic acid C4H6O5 0.44 134.09 132.90 115.00 70 5 [M − H]
3 Citric acid C6H8O7 0.53 192.12 191.10 110.20 85 5 [M − H]
4 Succinic acid C4H6O4 0.56 118.09 117.00 73.00 70 12 [M − H]
5 Quinic acid C7H12O6 1.23 192.17 191.00 84.90 83 24 [M − H]
6 Cyanidin-3-O-glucoside C21H21O11 1.42 449.39 449.00 287.00 100 10 [M + H]+
7 Cyanidin-3-O-galactoside C21H21O11 1.55 449.38 449.00 287.00 120 10 [M + H]+
8 Arbutin C12H16O7 1.75 272.20 274.30 105.70 140 12 [M − H]
9 Cyanidin-3-O-arabinoside C20H19O10 2.03 419.81 421.20 287.00 140 21 [M + H]+
10 Chlorogenic acid C16H18O9 2.22 354.31 352.80 191.10 100 10 [M − H]
11 (+)-Catechin C15H14O6 2.41 290.27 291.00 139.00 100 9 [M + H]+
12 (−)-Epicatechin C15H14O6 2.49 290.27 291.00 139.00 110 13 [M + H]+
13 Quercetin C15H10O7 2.55 302.24 301.00 151.00 148 23 [M − H]
14 P-Coumaric acid C9H8O3 2.69 164.16 162.90 119.00 75 16 [M − H]
15 Astragalin C21H20O11 2.87 448.40 447.00 284.00 165 30 [M − H]
16 Benzoic acid C7H6O2 3.04 122.12 121.00 77.00 75 15 [M − H]
17 Oleanolic acid C30H48O3 5.78 456.70 457.30 411.10 140 10 [M + H]+
18 Ursolic acid C30H48O3 5.83 456.70 457.30 411.10 120 15 [M + H]+