Table 1.
Significantly dysregulated (p < 0.05) metabolomic classes and the corresponding metabolites in mice exposed to microplastic.
| Annotated Feature | Adduct | m/z | rt(s) a | VIP b | Fold Change c | p-Value | HMDB ID |
|---|---|---|---|---|---|---|---|
| Nucleosides, nucleotides, and analogues | |||||||
| 2’-Deoxyuridine | (M − H)− | 227.0671 | 112.8 | 10.7 | 0.4 | 6.80 × 10−4 | 12 |
| Deoxycytidine | (M + H)+ | 228.0964 | 206.6 | 1 | 0.4 | 7.24 × 10−3 | 14 |
| Deoxyguanosine | (M − H)− | 266.0890 | 230.3 | 2.1 | 0.3 | 6.30 × 10−3 | 85 |
| Guanosine | (M − H)− | 282.0840 | 262.8 | 1.3 | 0.1 | 1.20 × 10−2 | 133 |
| Uridine | (M + H)+ | 245.0757 | 159.2 | 1.7 | 0.2 | 3.44 × 10−4 | 296 |
| Ribothymidine | (M − H)− | 257.0780 | 142 | 4 | 0.2 | 3.20 × 10−3 | 884 |
| Lipids and lipid-like molecules | |||||||
| 3-Hydorxy−3-methylglutaric acid | (M − H)− | 161.0452 | 373.8 | 1.1 | 0.5 | 9.00 × 10−4 | 355 |
| alpha-Tocopherol (Vitamin E) | (M − H)− | 429.3724 | 31.5 | 1.9 | 4.2 | 3.10 × 10−2 | 1893 |
| Cholic acid | (M − H)− | 407.2802 | 227.2 | 14 | 2.5 | 1.70 × 10−4 | 619 |
| Palmitic acid | (M − H)− | 255.2327 | 46.7 | 9.4 | 2.4 | 4.60 × 10−2 | 220 |
| Taurochenodeoxycholate | (M − H)− | 498.2886 | 140.7 | 3 | 2.1 | 1.60 × 10−2 | 951 |
| Taurocholate | (M − H)− | 514.2840 | 200.3 | 2.4 | 2.8 | 4.40 × 10−2 | 36 |
| Chenodeoxycholate | (M + CH3COO)− | 451.3053 | 160.3 | 4.4 | 1.8 | 8.00 × 10−3 | 518 |
| Lithocholic acid | (M + CH3COO)− | 435.3105 | 82.6 | 3.3 | 2.1 | 2.10 × 10−2 | 761 |
| L-Palmitoylcarnitine | (M + H)+ | 400.3401 | 172.9 | 2.4 | 4.7 | 1.41 × 10−2 | 222 |
| Taurodeoxycholic acid | (M + NH4)+ | 517.3270 | 140.8 | 1.7 | 2 | 1.01 × 10−2 | 896 |
| Organic acids and derivatives | |||||||
| DL-lactate | (M − H)− | 89.0243 | 304.1 | 1.8 | 0.7 | 4.00 × 10−2 | 1311 |
| L-Glutamate | (M − H)− | 146.0458 | 398.3 | 2 | 0.4 | 4.70 × 10−2 | 148 |
| L-Phenylalanine | (M − H)− | 164.0719 | 261.5 | 3.1 | 0.6 | 5.00 × 10−3 | 159 |
| L-Valine | (M − H)− | 116.0714 | 304.9 | 2.3 | 0.7 | 2.50 × 10−2 | 883 |
| Methylmalonic acid | (M − H)− | 117.0188 | 104.9 | 1.2 | 0.4 | 1.10 × 10−2 | 202 |
| L-Arabinose | (M − H)− | 149.0449 | 133 | 2 | 0.6 | 1.50 × 10−2 | 646 |
| Galactinol | (M + CH3COO)− | 401.1292 | 391.2 | 1.1 | 0.3 | 1.20 × 10−2 | 5826 |
| N-Acetyl-L-tyrosine | (M − H + 2Na)+ | 268.0606 | 242.4 | 1.3 | 0.4 | 3.45 × 10−2 | 866 |
| N-Acetyl-D-glucosamine | (M + H)+ | 222.0966 | 256.4 | 3 | 0.6 | 2.76 × 10−2 | 215 |
| N-Acetylneuraminic acid | (M + H)+ | 310.1121 | 373.6 | 2.2 | 0.4 | 4.82 × 10−5 | 230 |
| Cellobiose | (M + NH4)+ | 360.1487 | 389.6 | 4.4 | 0.4 | 3.05 × 10−2 | 55 |
| D-Mannose | (M + NH4)+ | 198.0958 | 302.8 | 2 | 0.5 | 4.46 × 10−3 | 169 |
| Maltotriose | (M + NH4)+ | 522.2001 | 449.6 | 1.6 | 0.5 | 2.10 × 10−2 | 1262 |
| Benzenoids | |||||||
| Tyramine | (M + H)+ | 138.0900 | 218.2 | 1.2 | 0.4 | 2.46 × 10−3 | 306 |
| Norepinephrine | (M + H − H2O)+ | 152.0691 | 105.2 | 2.7 | 0.4 | 3.43 × 10−4 | 216 |
| Organoheterocyclic compounds | |||||||
| 2-Hydroxyadenine | (M + H)+ | 152.0559 | 262.4 | 1.5 | 0.5 | 3.03 × 10−2 | 403 |
| Hypoxanthine | (M + H)+ | 137.0448 | 217.3 | 4.2 | 0.2 | 4.17 × 10−2 | 157 |
| Uracil | (M + H)+ | 113.0334 | 84.7 | 1.9 | 0.6 | 3.31 × 10−2 | 300 |
| Others | |||||||
| 1-Palmitoyl−2-hydroxy-sn-glycero−3-phosphoethanolamine | (M − H)− | 452.2773 | 200.6 | 4.6 | 0.5 | 2.00 × 10−2 | n.a.d |
| 2-Methylbenzoic acid | (M − H)− | 135.0445 | 133.3 | 1.2 | 0.6 | 1.20 × 10−2 | 2340 |
| 3b-Hydroxy−5-cholenoic acid | (M − H)− | 373.2733 | 61.2 | 2.5 | 0.5 | 3.00 × 10−2 | 308 |
| gamma-Linolenic acid | (M − H)− | 277.2174 | 46.1 | 6.4 | 0.8 | 4.20 × 10−2 | 3073 |
| Cholesterol 3-sulfate | (M − H)− | 465.3042 | 26.3 | 15.8 | 1.7 | 1.40 × 10−2 | 653 |
| Isobutyric acid | (M − H)− | 87.0452 | 132.6 | 6 | 0.3 | 1.30 × 10−4 | 1873 |
| Tetrahydrocorticosterone | (M − H)− | 349.2373 | 67.6 | 1.4 | 1.8 | 7.50 × 10−3 | 268 |
| Isoetharine | (M + CH3CN + Na)+ | 303.1689 | 197.6 | 1.6 | 4.9 | 2.00 ×10−2 | 14366 |
| 1-Palmitoyl-sn-glycero−3-phosphocholine | (M + H)+ | 496.3396 | 194.5 | 10.3 | 1.8 | 3.93 ×10−3 | n.a. |
| 1-Stearoyl−2-hydroxy-sn-glycero−3-phosphoethanolamine | (M + H)+ | 482.3230 | 195.7 | 3.1 | 3.4 | 1.73 ×10−5 | n.a. |
| 2’-Deoxyinosine | (M + H)+ | 253.0924 | 179.6 | 3.5 | 0.5 | 3.21 ×10−2 | 71 |
| Arg-Phe | (M + H)+ | 322.1851 | 340.8 | 1.2 | 5.3 | 1.28 ×10−3 | n.a. |
| DL-Indole−3-lactic acid | (M + H − H2O)+ | 188.0693 | 259.1 | 1.3 | 0.6 | 3.25 ×10−2 | 671 |
| Thioetheramide-PC | (M + Na)+ | 758.5646 | 129.4 | 2.1 | 4.1 | 5.77 ×10−3 | n.a. |
| D-(-)-Lyxose | (M + NH4)+ | 168.0853 | 152.6 | 1.3 | 0.5 | 9.26 ×10−4 | n.a. |
| 1-O-(cis−9-Octadecenyl)−2-O-acetyl-sn-glycero−3-phosphocholine | (M + H)+ | 550.3832 | 188.7 | 1.7 | 2.5 | 4.49 ×10−4 | n.a. |
a rt—retention time; b VIP—variable importance in projection; c the value of fold change higher than or equal to 1.5 indicates that the corresponding metabolite was upregulated, and the value of fold change lower than or equal to 0.7 indicates that the corresponding metabolite was downregulated; d n.a., the HMDB ID is not available for the corresponding metabolite.