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]+ |