Table 3.
Identification results of potential biomarkers
| Mode | RT | Measured mass | VIP | Formula | Error (ppm) | Identification | Trenda |
|---|---|---|---|---|---|---|---|
| ESI+ | 7.19 | 206.0438 | 4.78 | C10H7NO4 | 1.0 | Xanthurenic acid | up |
| 2.59 | 338.1134 | 3.07 | C7H14N2O6S | 3.0 | 5-L-Glutamyl-taurine | up | |
| 2.30 | 105.0414 | 2.91 | C10H18N4O6 | -6.7 | Argininosuccinic acid | down | |
| 1.18 | 220.1181 | 2.86 | C9H17NO5 | 0.9 | Pantothenic acid | up | |
| 1.93 | 162.0673 | 2.80 | C12H22N2O6S | 0.6 | D-Pantothenoyl-L-cysteine | down | |
| 0.51 | 191.0206 | 2.18 | C6H8O7 | -2.0 | Citric acid | up | |
| 3.08 | 164.0711 | 2.13 | C9H9NO2 | -3.0 | 3-Methyldioxyindole | up | |
| 8.04 | 426.3567 | 1.77 | C25H47NO4 | 2.6 | Vaccenyl carnitine | up | |
| 1.70 | 135.0641 | 1.70 | C5H10O4 | -8.1 | 2,3-Dihydroxyvaleric acid | down | |
| ESI- | 2.74 | 143.1067 | 6.68 | C8H16O2 | -7.7 | Caprylic acid | up |
| 0.48 | 167.0201 | 3.11 | C5H4N4O3 | 6.0 | Uric acid | down | |
| 6.37 | 377.1454 | 2.79 | C17H20N4O6 | 0.8 | Riboflavin | up | |
| 3.30 | 173.0808 | 2.32 | C8H14O4 | -6.4 | Suberic acid | down | |
| 0.40 | 124.0067 | 2.29 | C2H7NO3S | 6.4 | Taurine | up | |
| 1.13 | 154.0505 | 1.53 | C7H7NO3 | 2.6 | 3-Hydroxyanthranilic acid | up | |
| 2.24 | 157.0882 | 1.28 | C8H14O3 | 1.9 | 3-Oxooctanoic acid | down |
Metabolite change trend in MHG compared with MG