TABLE 2.
Significant metabolites and related pathways.
| m/z | RT (min) | VIP | Metabolite name | Formula | FC | p-value | KEGG pathways ID |
|---|---|---|---|---|---|---|---|
| 325.23495 | 2.876 | 2.35683 | 2,3-Dihydroxypropyl-12-methyltridecanoate | C17H34O4 | 0.671782926 | 0.015971806 | |
| 239.07831 | 13.627 | 5.53845 | 2′,4′-Dihydroxychalcone | C15H12O3 | 0.890850575 | 0.022284846 | |
| 136.03911 | 4.363 | 3.88633 | 2-Benzoxazolinone | C7H5NO2 | 12.46643677 | 0.046025831 | |
| 347.2572 | 3.735 | 3.34726 | 2-Hydroxy-6-pentadecylbenzoic acid | C22H36O3 | 0.525867847 | 0.007686917 | |
| 546.2019 | 14.035 | 1.3337 | 3-Man2Glcnac | C20H35NO16 | 0.551330883 | 0.027091806 | |
| 152.9962 | 9.152 | 2.23056 | 3-Phosphonopropionic acid | C3H7O5P | 1.33697394 | 0.033196058 | |
| 263.01355 | 13.095 | 5.54754 | 4:2 Fluorotelomer alcohol | C6H5F9O | 1.699333892 | 0.026009249 | |
| 261.0582 | 13.612 | 1.70449 | 4-Thiouridine | C9H12N2O5S | 0.821459239 | 0.004308547 | |
| 298.09698 | 4.848 | 4.88472 | 5′-S-Methylthioadenosine | C11H15N5O3S | 1.13033054 | 0.044174232 | |
| 263.14502 | 12.587 | 2.57388 | 9-(2,3-Dihydroxypropoxy)-9-oxononanoic acid | C12H22O6 | 1.053907846 | 0.031780433 | |
| 153.0658 | 4.366 | 5.70612 | Amino-nitro-toluene | C7H8N2O2 | 7.954082137 | 0.048454571 | |
| 172.00697 | 5.818 | 1.42617 | Aniline-2-sulfonic acid | C6H7N | 0.321732416 | 0.005285527 | |
| 305.24466 | 1.803 | 3.33309 | Arachidonic acid | C20H32O2 | 0.507101399 | 0.045601456 | map05140,04666,04750,04270 |
| 149.06129 | 3.701 | 1.33265 | Benzylacetate | C9H10O2 | 0.837589461 | 0.001062728 | |
| 664.11188 | 14.02 | 1.4117 | Beta-Nicotinamide adenine dinucleotide | C21H27N7O14P2 | 1.483947385 | 0.019033915 | map01100,00983,00760,00730 |
| 460.26794 | 2.884 | 1.22504 | Bullatine B | C24H39NO6 | 0.821540349 | 0.023155541 | |
| 74.09618 | 2.909 | 2.07637 | Butylamine | C4H11N | 0.777459099 | 0.01221642 | |
| 104.10668 | 9.763 | 7.35948 | Choline | C5H14NO | 1.308167562 | 0.009307603 | map01100,00564,02010,04976,00260 |
| 179.05692 | 13.627 | 6.98592 | D-Fructose | C6H12O6 | 0.880392392 | 0.017544554 | map01100,04973,02010,00051,00052 |
| 136.93945 | 12.107 | 9.54638 | Diallyl sulfide | C6H10S | 0.776001868 | 0.042349612 | |
| 437.29877 | 4.366 | 2.21911 | Diosgenin | C27H42O3 | 0.619112294 | 0.007484634 | |
| 387.17889 | 1.324 | 5.09526 | Eudesmin | C22H26O6 | 0.902264921 | 0.023488135 | |
| 169.05676 | 13.687 | 2.72515 | Glutamine (L) | C5H10N2O3 | 1.202091666 | 0.008152464 | map01100,00630,00220,00230,004964 |
| 284.09875 | 9.502 | 3.22387 | Guanosine | C10H13N5O5 | 1.283647062 | 0.042913451 | map01100,02010,00230 |
| 433.00113 | 13.089 | 5.27059 | Ilimaquinone | C22H30O4 | 1.150297627 | 0.030278805 | |
| 359.12033 | 13.624 | 1.89156 | Irigenin | C18H16O8 | 0.771759379 | 0.002532267 | |
| 435.1011 | 0.686 | 5.79341 | Irisxanthone | C20H20O11 | 7.42498619 | 0.02020363 | |
| 378.26279 | 1.765 | 2.16532 | Karacoline | C22H35NO4 | 0.419813304 | 0.014298142 | |
| 563.12439 | 13.98 | 1.98545 | Lucidin-3-O-beta-primeveroside | C26H28O14 | 1.253246375 | 0.012793306 | |
| 174.02257 | 5.815 | 1.41516 | Orthanilic acid | C6H7NO3S | 0.327011971 | 0.0075562 | |
| 796.5451 | 6.164 | 2.24383 | Phosphatidylcholine | C43H76NO8P | 1.780459777 | 0.023969459 | map01100,00564,00590,00591,00592 |
| 437.11407 | 0.691 | 1.93554 | Podophyllotoxin | C22H22O8 | 4.451590913 | 0.014517779 | |
| 87.00893 | 6.105 | 2.33681 | Pyruvic acid | C3H4O3 | 0.321061012 | 0.028938203 | map00430,00270,00040,01200 |
| 283.26309 | 1.859 | 3.20129 | Stearic acid | C18H36O2 | 0.615216583 | 0.024925296 | map00061,01040 |
| 565.13745 | 13.977 | 1.51817 | Theaflavin | C29H24O12 | 1.244116434 | 0.023455134 | |
| 198.09807 | 13.619 | 1.59168 | Theobromine | C7H8N4O2 | 0.863001625 | 0.024294497 | map01100,00232 |
| 243.06143 | 6.213 | 13.8741 | Uridine | C9H12N2O6 | 0.765153296 | 0.015757169 | map00240,01100,02010 |