Table 2 Information about ingredients of CRD that identified in the serum by using UPLC-Q–TOF–MS
NO | Retention time | Ingredient name | Mode | Formula | Precursor mass | Found at mass | Mass error (ppm) | MS/MS fragment ions (m/z) |
|---|---|---|---|---|---|---|---|---|
1 | 1.17 | Betaine | POS | C5H11NO2 | 118.086 | 118.0862 | − 0.4 | 72.0806, 55.0541 |
2 | 1.22 | Quinic acid | NEG | C7H12O6 | 191.056 | 191.0559 | − 1.2 | 111.0094, 191.0566, 85.0299 |
3 | 1.23 | Proline | POS | C5H9NO2 | 116.071 | 116.0705 | − 0.8 | 70.0652 |
4 | 3.39 | Phenylalanine | POS | C9H11NO2 | 166.086 | 166.086 | − 1.4 | 103.0545, 120.0808, 77.0388 |
5 | 4.05 | Protocatechuic acid | NEG | C7H6O4 | 153.019 | 153.019 | − 2 | 109.0308, 108.0211, 91.0178 |
6 | 4.54 | l-Tryptophan | NEG | C11H12N2O2 | 203.083 | 203.0825 | − 0.4 | 116.0505, 142.0665, 74.0250 |
7 | 5.07 | Vitexin | NEG | C21H20O10 | 431.098 | 431.0981 | − 0.2 | 311.0558, 286.0611, 431.1002 |
8 | 5.42 | p-Coumaric acid | NEG | C9H8O3 | 163.04 | 163.0398 | − 1.8 | 34.9693, 118.9953, 145.8898 |
9 | 5.79 | Puerarin | NEG | C21H20O9 | 415.103 | 415.1036 | − 0.3 | 267.0667, 295.0611, 415.1039 |
10 | 6.63 | Daidzin | NEG | C21H20O9 | 461.109 | 461.1086 | − 0.8 | 253.0503, 415.1025 |
11 | 7.25 | Rutin | NEG | C27H30O16 | 609.146 | 609.1444 | − 2.9 | 609.1455, 300.0271 |
12 | 7.45 | Daphnetin | POS | C9H6O4 | 179.034 | 179.0333 | − 3.3 | 136.0202, 179.0629 |
13 | 7.59 | Hyperin | NEG | C21H20O12 | 463.088 | 463.0889 | 1.6 | 307.0765, 143.0458, 99.0551 |
14 | 7.64 | 2,3,5,4′-Tetrahydroxystilbene-2-O-b-d-glucoside | NEG | C20H22O9 | 407.134 | 407.1334 | − 0.8 | 243.0643 |
15 | 7.65 | Ferulic acid | POS | C10H10O4 | 195.065 | 195.0651 | − 0.5 | 145.0284, 89.0385, 195.0649 |
16 | 7.88 | Ginkgolide B | NEG | C20H24O10 | 469.135 | 469.1334 | − 3.6 | 209.9080, 423.1232, 221.0594 |
17 | 8.56 | 3-Hydroxymorindone | POS | C15H10O6 | 287.055 | 287.055 | 0 | 241.0475, 287.0540 |
18 | 8.56 | Kaempferol | POS | C15H10O6 | 287.055 | 287.055 | 0 | 241.0475, 287.0540, 213.0558 |
19 | 9.55 | Ginsenoside Rg1 | NEG | C42H72O14 | 845.49 | 845.4899 | − 0.6 | 845.4947, 799.4892, 637.4372 |
20 | 10.02 | Daidzein | NEG | C15H10O4 | 253.051 | 253.0508 | − 0.9 | 253.0506, 223.0400, 208.0527 |
21 | 10.4 | Ginkgolide A | POS | C20H24O9 | 409.149 | 409.1495 | 0.5 | 409.1489, 253.1234, 355.1101 |
22 | 12.91 | Ginsenoside-Ro | NEG | C48H76O19 | 955.491 | 955.4904 | − 0.5 | 955.4895, 793.4201 |
23 | 16.15 | N-Butyl-4,5-dihydrophthalide | POS | C12H16O2 | 193.122 | 193.1222 | − 0.6 | 93.0703, 77.0369, 147.1162 |
24 | 17.4 | Ligustilide | POS | C12H14O2 | 191.107 | 191.1064 | − 1.1 | 91.0547, 78.0388, 191.1087 |
25 | 19.54 | Levistilide A | POS | C24H28O4 | 381.206 | 381.2067 | 1.7 | 191.1073, 381.2084 |