Table 3.
List of statistically significant tentatively identified metabolites to differentiate between control and MPs-exposed rare minnow liver samples.
| Compound | Molecular Formula | Mode | Measured Molecular Mass (Da) |
Mass Error (ppm) | Fold-Change | Trend | p-Value | Kegg C-Code |
|---|---|---|---|---|---|---|---|---|
| 2-Formylglutarate | C6H8O5 | ESI- | 159.0293 | −3.91076 | 0.64 | down | 0.002 | C16159 |
| 2-Dehydro-3-deoxy-d-galactonate | C6H10O6 | ESI- | 177.04 | −2.53718 | 0.63 | down | 0.001 | C01216 |
| d-Galactono-1,5-lactone | C6H10O6 | ESI- | 177.04 | −2.53718 | 0.63 | down | 0.001 | C02669 |
| l-Galactono-1,5-lactone | C6H10O6 | ESI- | 177.04 | −2.53718 | 0.63 | down | 0.001 | C21955 |
| d-Mannitol 1-phosphate | C6H15O9P | ESI- | 307.043 | −2.00474 | 0.67 | down | 0.023 | C00644 |
| d-Altronate | C6H12O7 | ESI- | 195.0505 | −2.85294 | 0.61 | down | 0.001 | C00817 |
| l-Lyxose | C5H10O5 | ESI- | 195.0505 | −3.72763 | 0.61 | down | 0.001 | C01508 |
| d-Ribose | C5H10O5 | ESI- | 195.0505 | −3.72763 | 0.61 | down | 0.001 | C00121 |
| d-Lyxose | C5H10O5 | ESI- | 195.0505 | −3.72763 | 0.61 | down | 0.001 | C00476 |
| d-Mannonate | C6H12O7 | ESI- | 195.0505 | −2.85294 | 0.61 | down | 0.001 | C00514 |
| (S)-3-Hydroxyisobutyryl-CoA | C25H42N7O18P3S | ESI- | 852.1423 | −2.79862 | 0.59 | down | 0.044 | C06000 |
| Sphingosyl-phosphocholine | C23H50N2O5P+ | ESI- | 510.3457 | 3.888599 | 0.64 | down | 0.040 | C03640 |
| N-Acetyl-d-phenylalanine | C11H13NO3 | ESI- | 252.087 | −3.40067 | 0.68 | down | 0.048 | C05620 |
| N-Acetyl-l-phenylalanine | C11H13NO3 | ESI- | 252.087 | −3.40067 | 0.68 | down | 0.048 | C03519 |
| d-Mannonate | C6H12O7 | ESI+ | 219.0459 | −8.34259 | 0.67 | down | 0.010 | C00514 |
| d-Altronate | C6H12O7 | ESI+ | 219.0459 | −8.34259 | 0.67 | down | 0.010 | C00817 |
| 5-Hydroxyindoleacetate | C10H9NO3 | ESI+ | 192.0659 | 1.905397 | 0.61 | down | 0.044 | C05635 |
| (R)-3,3-Dimethylmalate | C6H10O5 | ESI+ | 180.0877 | 6.414412 | 0.66 | down | 0.016 | C01088 |
| l-Fucono-1,5-lactone | C6H10O5 | ESI+ | 180.0877 | 6.414412 | 0.66 | down | 0.016 | C18028 |
| (S)-2-(Hydroxymethyl)glutarate | C6H10O5 | ESI+ | 180.0877 | 6.414412 | 0.66 | down | 0.016 | C16390 |
| 2-Dehydro-3-deoxy-l-fuconate | C6H10O5 | ESI+ | 180.0877 | 6.414412 | 0.66 | down | 0.016 | C03827 |
| 3-Ethylmalate | C6H10O5 | ESI+ | 180.0877 | 6.414412 | 0.66 | down | 0.016 | C01989 |
| (2R,3S)-2,3-Dimethylmalate | C6H10O5 | ESI+ | 180.0877 | 6.414412 | 0.66 | down | 0.016 | C03652 |
| (R)-2-Ethylmalate | C6H10O5 | ESI+ | 180.0877 | 6.414412 | 0.66 | down | 0.016 | C02488 |
| 2-Dehydro-3-deoxy-l-rhamnonate | C6H10O5 | ESI+ | 180.0877 | 6.414412 | 0.66 | down | 0.016 | C03979 |
| 4-Methyl-l-glutamate | C6H11NO4 | ESI+ | 144.0655 | -0.08917 | 0.48 | down | 0.006 | C06234 |
| alpha-1,5-l-Arabinobiose | C10H18O9 | ESI- | 281.0882 | 1.31699 | 0.78 | down | 0.004 | C20570 |
| beta-d-Glucose 1-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C00663 |
| beta-d-Fructose 6-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C05345 |
| alpha-d-Glucose 6-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C00668 |
| d-Mannose 6-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C00275 |
| d-Tagatose 6-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C01097 |
| d-Fructose 1-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C01094 |
| d-Allulose 6-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C18096 |
| l-Gulose 1-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C15924 |
| beta-d-Glucose 6-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C01172 |
| d-Allose 6-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C02962 |
| N-Acetylneuraminate 9-phosphate | C11H20NO12P | ESI+ | 428.037 | 3.966776 | 1.57 | up | 0.000 | C06241 |
| Cytosine | C4H5N3O | ESI+ | 112.0506 | 0.697346 | 1.76 | up | 0.002 | C00380 |
| d-Glyceraldehyde | C3H6O3 | ESI- | 135.0307 | 9.084401 | 1.59 | up | 0.046 | C00577 |
| d-Fructose 6-phosphate | C6H13O9P | ESI+ | 283.019 | 0.420669 | 1.28 | up | 0.046 | C00085 |