Table 2.
List of the nine ML-selected MCI-differentiating features with their identified metabolite annotation.
| Rank | Description | Metabolic Feature | Compound ID | Adduct | Formula | Score | Fragment Score | Mass Error (ppm) |
|---|---|---|---|---|---|---|---|---|
| 1 | N-Formyl-L-methionine | Met-0771 | HMDB0001015 | M-H | C6H11NO3S | 39.7 | 18.2 | 3.16 |
| 3 | Cinnamic acid | Met-1609 | HMDB0000567 | M-H | C9H8O2 | 28.3 | 0.09 | 7.35 |
| 4 | CL(16:0/22:5/16:1/16:1) | Met-3745 | HMDB0056838 | M-2H | C79H140O17P2 | 28.1 | 3.06 | −2.31 |
| 8 | Indole-3-propionic acid | Met-1849 | HMDB0002302 | M-H | C11H11NO2 | 38.5 | 0 | −2.52 |
| 9 | CDP-DG(a-25:0/i-24:0) | Met-3290 | HMDB0116150 | M-H | C61H115N3O15P2 | 38.5 | 20.6 | 18.06 |
| 12 | Citbismine F | Met-2163 | HMDB0034473 | M-H | C36H34N2O10 | 33.9 | 0.03 | 17.64 |
| 13 | Pyrogallol-1-O-sulphate | Met-0930 | HMDB0060016 | M-H | C6H6O6S | 37 | 0 | −6.93 |
| 14 | L-Furosine | Met-0967 | HMDB0029390 | M-H | C12H18N2O4 | 35 | 0 | −16.06 |
| 20 | L-Arginine | Met-0978 | HMDB0000517 | M-H | C6H14N4O2 | 45.2 | 40.6 | −9.27 |