Table 2. Identification and selection of differentially expressed metabolites.
| Peak | Metabolites | Similarity | RT (s) | VIP | AUC | P-value | Folda | CAS No |
|---|---|---|---|---|---|---|---|---|
| 21 | 2-Ketovaleric acid | 522.700 | 8.3715 | 2.721 | 0.8737 | 0.010875858 | 12.756 | 1821-02-9 |
| 42 | Methyl phosphate | 584.636 | 9.01098 | 1.890 | 0.1246 | 6.14122E-05 | 0.296 | 812-00-0 |
| 75 | Maleic acid | 544.167 | 10.7467 | 3.152 | 0.2941 | 9.60192E-07 | 0.001 | 110-16-7 |
| 81 | Succinic acid | 537.444 | 10.9488 | 4.727 | 0.9758 | 1.39563E-12 | 18.012 | 110-15-6 |
| 90 | Pyrrole-2-carboxylic acid | 278.100 | 11.3376 | 1.992 | 0.8512 | 0.005819903 | 53.088 | 634-97-9 |
| 103 | 4-Methylcatechol | 763.500 | 11.9378 | 1.400 | 0.827 | 0.002964378 | 6.455 | 452-86-8 |
| 124 | 3-Aminoisobutyric acid | 430.667 | 12.8192 | 1.903 | 0.2751 | 0.001969014 | 0.080 | 144-90-1 |
| 140 | Salicylic acid | 259.938 | 13.483 | 1.409 | 0.8062 | 0.030011441 | 3.123 | 69-72-7 |
| 144 | L-glutamic acid | 409.840 | 13.6167 | 1.667 | 0.218 | 0.004650469 | 0.525 | 56-86-0 |
| 146 | Trans-4-hydroxy-L-proline | 940.476 | 13.647 | 2.342 | 0.2872 | 0.037599737 | 0.507 | 51-35-4 |
| 156 | Phenylalanine | 718.563 | 14.0296 | 3.886 | 0.9273 | 3.03157E-05 | 8.155 | 63-91-2 |
| 157 | Threonic acid | 898.576 | 14.0301 | 1.040 | 0.0346 | 9.13379E-10 | 0.267 | 7306-96-9 |
| 158 | Maleamate | 501.857 | 14.1161 | 2.213 | 0.2889 | 0.000163998 | 0.119 | 557-24-4 |
| 159 | 2-Hydroxy-3-isopropylbutanedioic acid | 308.793 | 14.2296 | 1.136 | 0.2941 | 0.044990065 | 0.678 | 16048-89-8 |
| 165 | D-alanyl-D-alanine | 396.933 | 14.6255 | 1.440 | 0.2561 | 0.030681161 | 0.533 | 923-16-0 |
| 182 | 5-Aminovaleric acid | 718.882 | 15.3106 | 3.553 | 0.9481 | 6.76389E-07 | 10.151 | 660-88-8 |
| 183 | Asparagine | 855.323 | 15.3505 | 1.029 | 0.173 | 0.00240466 | 0.570 | 70-47-3 |
| 184 | Ribose | 616.364 | 15.3721 | 2.882 | 0.2509 | 0.014774949 | 0.469 | 50-69-1 |
| 197 | Beta-Glycerophosphoric acid | 508.750 | 15.9306 | 2.780 | 0.1747 | 3.54503E-06 | 0.002 | 819-83-0 |
| 201 | Diglycerol | 491.968 | 16.1491 | 1.077 | 0.8651 | 0.013648411 | 3.336 | 627-82-7 |
| 219 | 3,4-Dihydroxybenzoic acid | 677.524 | 16.9848 | 2.981 | 0.9654 | 7.54145E-08 | 7.053 | 99-50-3 |
| 220 | Ornithine | 621.333 | 17.0177 | 1.653 | 0.391 | 0.006055267 | 0.125 | 70-26-8 |
| 221 | Citrulline | 847.833 | 17.0301 | 1.319 | 0.08651 | 7.03487E-06 | 0.462 | 372-75-8 |
| 225 | Dehydroascorbic acid | 819.350 | 17.2592 | 3.604 | 0.8962 | 7.31492E-06 | 4.522 | 490-83-5 |
| 244 | Ascorbate | 728.850 | 18.269 | 2.858 | 0.917 | 1.25007E-06 | 5.384 | 50-81-7 |
| 259 | Trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde | 322.667 | 19.9182 | 1.768 | 0.3581 | 0.005583875 | 0.004 | 4206-58-0 |
| 276 | Arachidonic acid | 606.375 | 22.1624 | 1.436 | 0.3754 | 0.032532568 | 0.394 | 506-32-1 |
| 285 | Inosine | 735.095 | 23.6905 | 4.202 | 0.9619 | 7.64152E-05 | 13.046 | 58-63-9 |
| 290 | Monoolein | 815.400 | 25.0601 | 2.393 | 0.2993 | 0.000289852 | 0.001 | 3443-84-3 |
| 294 | Cholecalciferol | 342.630 | 26.9592 | 1.400 | 0.128 | 3.18476E-05 | 0.268 | 67-97-0 |
Abbreviations: RT, retention time; VIP, variable importance for the projection; AUC, area under the ROC curve.
aFold change: Asthma vs Control.