Table 5.
Differential metabolites between the THSWD group and the placebo group before treatment from UPLC-MS/MS analysis.
| Differential metabolites | ESI mode | Mass (m/z) | Mass Shift (ppm) | MS/MS confirmed | RT (min) | VIP | P | FC (THSWD/placebo) |
|---|---|---|---|---|---|---|---|---|
| Threonic acid | neg | 135.0299 | -0.848793939 | Yes | 0.90 | 2.40042 | 0.00058 | 1.45 |
| Biliverdin | pos | 583.25511 | -0.460942063 | Yes | 1.89 | 2.09742 | 0.007122 | 1.93 |
| Succinylcarnitine | pos | 262.12906 | -2.25525746 | Yes | 9.46 | 2.07186 | 0.008251 | 0.66 |
| Phosphorylcholine | pos | 184.07332 | -1.733257937 | Yes | 5.83 | 2.05796 | 0.008941 | 0.71 |
| succinate | neg | 117.01881 | 4.12066833 | Yes | 0.88 | 2.01993 | 0.011028 | 1.38 |
| Sulfate | neg | 96.9601 | -0.4768798 | Yes | 0.87 | 1.99716 | 0.012423 | 1.79 |
| L-lysine | neg | 145.09773 | 3.31739348 | Yes | 1.02 | 1.93366 | 0.017102 | 1.77 |
| N-acetyl-L-aspartic acid | neg | 174.04027 | 3.13659881 | Yes | 0.88 | 1.89204 | 0.020726 | 1.60 |
| N-alpha-acetyl-L-asparagine | neg | 173.05626 | 2.43054742 | No | 18.92 | 1.87169 | 0.022759 | 1.48 |
| Propionylcarnitine | pos | 218.13868 | -0.3028414 | Yes | 7.16 | 1.85991 | 0.023979 | 1.83 |
| Myristic acid (14:0) | neg | 227.20111 | 2.41737985 | No | 11.91 | 1.8426 | 0.025752 | 0.72 |
| Bilirubin | neg | 583.25621 | 0.49360338 | No | 10.55 | 1.82541 | 0.027776 | 1.58 |
| Indoxyl sulfate | neg | 212.00178 | 2.70346738 | Yes | 6.18 | 1.7993 | 0.030837 | 2.69 |
| Gluconic acid | neg | 195.0505 | 1.95042561 | Yes | 0.90 | 1.7919 | 0.031714 | 1.60 |
| Pelargonic acid (9:0) | neg | 157.1234 | -0.3713829 | No | 8.78 | 1.77715 | 0.033688 | 1.43 |
| 3-ureidopropionate | neg | 131.04569 | 3.22608662 | No | 0.93 | 1.75349 | 0.03689 | 1.41 |
| D-(+)-Glucose | neg | 179.05611 | -0.2205941 | No | 1.00 | 1.7372 | 0.03926 | 1.43 |
| Leukotriene A4 | neg | 317.21222 | 2.07733691 | No | 13.11 | 1.73305 | 0.039865 | 0.86 |
| Hippurate | neg | 178.05097 | -0.0956546 | Yes | 4.85 | 1.71272 | 0.04291 | 4.27 |
| 8,9-DiHETrE | neg | 337.23843 | −7.429894 | No | 12.89 | 1.71191 | 0.043078 | 1.59 |
| 5′-Methylthioadenosine | pos | 298.09736 | 8.90499169 | No | 11.32 | 1.69579 | 0.045691 | 0.60 |
| 2-Pyrrolidinone | pos | 86.06004 | 0.77251831 | Yes | 1.40 | 1.69382 | 0.045915 | 0.68 |
| 2-Furoic acid | neg | 111.00876 | −0.369243 | No | 0.87 | 1.68541 | 0.047254 | 1.53 |
| Gluconolactone | neg | 177.03994 | 2.33424636 | No | 0.89 | 1.68089 | 0.047968 | 1.47 |
THSWD, Taohong Siwu Decoction; ESI, electrospray ionization; RT, retention time; VIP, variable importance in the projection; P, probability; FC, fold change; Pos, positive; Neg, negative.