Table 1. List of 34 potential metabolic markers for arsenate toxicity.
| Metabolite Name | KEGG | Kovats RI | Fiehn RI | VIP | Fold Change | p value | Status |
|---|---|---|---|---|---|---|---|
| Cholic acid | C00695 | 3418.5 | 1110668 | 1.79 | 1.51 | 0.0021 | probable |
| Unknown (peak 311) | 3436.6 | 1113712 | 1.69 | 1.41 | 0.0044 | ||
| Ursodeoxycholic acid | C07880 | 3301.8 | 1094022 | 1.64 | 1.31 | 0.0083 | probable |
| Chenodeoxycholic acid | C02528 | 3344.6 | 1099922 | 1.64 | 1.33 | 0.0087 | probable |
| Unknown (peak 152) | 1710.5 | 583073 | 1.62 | 1.90 | 0.0037 | ||
| Unknown (peak 8) | 1023.4 | 220331 | 1.61 | 1.66 | 0.0118 | ||
| Unknown (peak 314) | 3523.3 | 1128266 | 1.59 | 1.32 | 0.0150 | ||
| Mannose | C00159 | 1953.8 | 686570 | 1.50 | 1.31 | 0.0113 | probable |
| 2-Ketovaline | C00141 | 1153.8 | 291985 | 1.47 | 1.75 | 0.0151 | probable |
| Unknown (peak 189) | 1943.8 | 682483 | 1.46 | 2.14 | 0.0252 | ||
| Unknown (peak 67) | 1253.3 | 349182 | 1.39 | 1.86 | 0.0241 | ||
| Unknown (peak 59) | 1219.7 | 329155 | 1.39 | 1.43 | 0.0266 | ||
| Gluconic acid | C00257 | 1946.4 | 683531 | 1.38 | 1.49 | 0.0246 | probable |
| Unknown (peak 234) | 2201.3 | 809327 | 1.36 | 1.45 | 0.0280 | ||
| Succinic acid | C00042 | 1305.7 | 380427 | 1.28 | 1.67 | 0.0429 | confirmed |
| Unknown (peak 63) | 1238.9 | 340611 | 1.28 | 2.08 | 0.0434 | ||
| Unknown (peak 140) | 1619.3 | 541619 | 1.26 | 1.76 | 0.0482 | ||
| Glycylglycine | C02037 | 1814 | 629175 | 1.92 | 0.57 | 0.0002 | probable |
| 2-Oxovaleric acid | C06255 | 1111.3 | 268640 | 1.69 | 0.68 | 0.0029 | probable |
| Myo-Inositol 1-phosphate | C01177 | 2487.3 | 885736 | 1.63 | 0.85 | 0.0218 | probable |
| Unknown (peak 15) | 1053.8 | 237000 | 1.62 | 0.60 | 0.0044 | ||
| Hypotaurine | C00519 | 1602.4 | 533953 | 1.60 | 0.63 | 0.0130 | probable |
| 3-hydroxybutanoic acid | C01089 | 1158.5 | 294592 | 1.60 | 0.59 | 0.0117 | confirmed |
| Unknown (peak 4) | 1002.7 | 208915 | 1.57 | 0.40 | 0.0084 | ||
| Palmitoleic acid | C08362 | 2016.7 | 711860 | 1.53 | 0.44 | 0.0193 | confirmed |
| Glycine | C00037 | 1113.1 | 269628 | 1.52 | 0.69 | 0.0198 | confirmed |
| Unknown (peak 101) | 1431.3 | 447764 | 1.51 | 0.40 | 0.0213 | ||
| Ethanolamine | C00189 | 1243.3 | 343218 | 1.48 | 0.81 | 0.0447 | confirmed |
| 2-Aminobutanoate | C02356 | 1175.1 | 303717 | 1.47 | 0.56 | 0.0276 | probable |
| Linoleic acid | C01595 | 2199.6 | 808238 | 1.46 | 0.62 | 0.0198 | confirmed |
| Alpha-linolenic acid | C06427 | 2203.8 | 810927 | 1.46 | 0.44 | 0.0352 | probable |
| Oleic acid | C00712 | 2208.5 | 813872 | 1.42 | 0.58 | 0.0280 | probable |
| Unknown (peak 117) | 1517.3 | 491580 | 1.37 | 0.72 | 0.0418 | ||
| Threonine | C00188 | 1294.5 | 373791 | 1.37 | 0.33 | 0.0447 | confirmed |
Potential markers were withVIP>1 in PLS-DA model and p<0.05 in Welch's t test.