Annotated polyphenols from DDA experiments
| m/z experimental | m/z theoretical | Accuracy (ppm) | Monoisotopic mass | RT(min) | Annotations | Level※ |
|---|---|---|---|---|---|---|
| 386.0415 | 386.0406 | 2 | 387.0406 | 1.1 | Glutathione S-sulfonate | 2 |
| 306.0784 | 306.0838 | 18 | 307.0838 | 1.4 | Glutathione | 1 |
| 169.0192 | 169.0210 | 11 | 170.0215 | 3.7 | Gallic acid | 1 |
| 369.0374 | 369.0358 | 4 | 370.0358 | 4.0 | Epicatechin-4β-sulfonates | 2 |
| 305.0672 | 305.0730 | 19 | 306.0740 | 5.7 | Gallocatechin | 1 |
| 457.0863 | 457.0849 | 3 | 458.0849 | 6.0 | Epigallocatechin gallate | 1 |
| 311.0451 | 311.0481 | 10 | 312.0481 | 6.3 | Caftaric acid | 1 |
| 289.0736 | 289.0790 | 19 | 290.0790 | 7.1 | Catechin | 1 |
| 179.0405 | 179.0422 | 9 | 180.0422 | 8.0 | Caffeic acid | 1 |
| 289.0736 | 289.0790 | 19 | 290.0790 | 8.1 | Epicatechin | 1 |
| 463.0987 | 463.0954 | 7 | 464.0955 | 9.9 | Quercetin 3-glucoside | 1 |
| 287.0593 | 287.0633 | 14 | 288.0634 | 9.9 | Dihydrokaempferol | 1 |
| 300.9991 | 301.0062 | 24 | 302.0063 | 10.1 | Ellagic acid | 1 |
| 447.0996 | 447.1005 | 2 | 448.1006 | 10.2 | Kaempferol 3-glucoside | 1 |
| 207.0696 | 207.0735 | 19 | 208.0736 | 10.6 | Ethyl caffeate | 1 |
| 301.0385 | 301.0426 | 14 | 302.0427 | 10.7 | Quercetin | 1 |
| 285.0427 | 285.0477 | 18 | 286.0477 | 11.1 | Kaempferol | 1 |
| 315.0522 | 315.0580 | 18 | 316.0583 | 11.2 | Isorhamnetin | 1 |
※: level of annotation [33]; ppm: parts per million; DDA: data dependent acquisition; RT: retention time