TABLE 2.
Discrepant metabolites.
| No. | mz | Rt (s) | exact_mass | mass_error | Metabolite | PC vs PK.vip |
PC vs PS.vip |
PK vs PS.vip |
PSLC vs PS.vip |
PSLC vs PSLY.vip |
PSLY vs PS.vip |
| 1 | 128.04 | 95.93 | 129.04 | 5 | Pyroglutamic acid | 5.20 | 7.71 | 7.06 | 8.75 | 4.07 | 8.80 |
| 2 | 130.09 | 83.12 | 129.08 | 1 | L-Pipecolic acid | 2.79 | 1.25 | 3.04 | 2.65 | 1.16 | 2.21 |
| 3 | 152.06 | 203.54 | 151.05 | 3 | Guanine | 1.39 | 2.41 | 2.43 | 2.54 | 1.04 | 2.18 |
| 4 | 191.02 | 85.06 | 192.03 | 3 | Citric acid | 8.17 | 4.90 | 1.14 | 4.05 | 5.26 | 7.36 |
| 5 | 205.10 | 253.37 | 204.09 | 3 | L-Tryptophan | 6.68 | 2.53 | 4.45 | 6.33 | 2.87 | 6.52 |
| 6 | 268.10 | 200.03 | 267.10 | 2 | Adenosine | 3.94 | 7.22 | 7.48 | 7.84 | 2.59 | 6.79 |
| 7 | 341.11 | 58.83 | 342.12 | 1 | Sucrose | 7.27 | 7.57 | 5.09 | 6.93 | 4.66 | 5.86 |