Table 2.
Potential biomarkers in cecum contents based on the UPLC-Q-TOF/MS between obese and lean mice
| Ionization mode | RT(s) | m/z | Metabolites | Metabolic pathway | VIP | Fold change | p value |
|---|---|---|---|---|---|---|---|
| ESI (+) | 366.533 | 523.3816793 | PC(2:0/O-16:0)[U] | Glycerophospholipid metabolism | 1.53 | 17.04 | 0.017 |
| ESI (+) | 330.811 | 524.3154739 | PC(O-16:0/2:0) | Glycerophospholipid metabolism | 1.99 | 17.86 | 2.82E−05 |
| ESI (+) | 314.942 | 495.3143924 | PC(8:0/7:0)[U] | Glycerophospholipid metabolism | 1.41 | 1.56 | 0.0051 |
| ESI (+) | 368.531 | 206.190139 | PC(O-16:1(11Z)/2:0) | Glycerophospholipid metabolism | 1.89 | 4.15 | 0.021 |
| ESI (+) | 464.138 | 522.354753 | PC(7:0/8:0)[U] | Glycerophospholipid metabolism | 1.49 | 9.20 | 0.001 |
| ESI (+) | 314.989 | 467.3192207 | PC(0:0/14:0) | Glycerophospholipid metabolism | 1.73 | 18.18 | 0.019 |
| ESI (+) | 319.178 | 481.3111877 | PC(8:0/6:0) | Glycerophospholipid metabolism | 1.05 | 1.52 | 0.040 |
| ESI (+) | 469.048 | 482.3602632 | PC(O-8:0/O-8:0) | Glycerophospholipid metabolism | 1.72 | 2.77 | 0.0013 |
| ESI (+) | 512.919 | 467.7871501 | PC(O-15:0/0:0) | Glycerophospholipid metabolism | 1.38 | 6.40 | 0.0078 |
| ESI (−) | 458.095 | 478.2949417 | LysoPC(18:1(9Z)) | Glycerophospholipid metabolism | 1.39 | 0.32 | 0.009 |
| ESI (+) | 421.504 | 451.2983584 | LysoPE(16:1(9Z)/0:0) | Glycerophospholipid metabolism | 1.52 | 2.41 | 0.012 |
| ESI (+) | 477.56 | 510.3550402 | LysoPE(0:0/20:0) | Glycerophospholipid metabolism | 1.58 | 1.87 | 0.00042 |
| ESI (+) | 420.079 | 440.2764659 | LysoPE(15:0/0:0) | Glycerophospholipid metabolism | 1.62 | 0.44 | 0.0020 |
| ESI (+) | 399.0275 | 503.3580866 | LysoPE(0:0/20:3(11Z,14Z,17Z)) | Glycerophospholipid metabolism | 1.34 | 0.30 | 0.030 |
| ESI (+) | 479.118 | 507.3640197 | LysoPE(20:1(11Z)/0:0) | Glycerophospholipid metabolism | 1.31 | 1.67 | 0.0066 |
| ESI (+) | 451.64 | 546.3549278 | 1-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine | Glycerophospholipid metabolism | 1.91 | 13.14 | 0.0027 |
| ESI (+) | 441.3365 | 360.2526586 | PG(16:0/0:0)[U] | Glycerophospholipid metabolism | 1.59 | 4.42 | 0.022 |
| ESI (+) | 541.67 | 765.5648852 | PG(19:0/16:0) | Glycerophospholipid metabolism | 1.96 | 640.96 | 0.00028 |
| ESI (+) | 506.869 | 524.4297664 | PE(21:0/0:0) | Glycerophospholipid metabolism | 1.90 | 45.13 | 0.0016 |
| ESI (+) | 393.4455 | 411.2499395 | PE(13:0/0:0) | Glycerophospholipid metabolism | 1.79 | 8.17 | 0.0029 |
| ESI (+) | 343.046 | 464.3364698 | PS(P-16:0/20:2(11Z,14Z)) | Glycerophospholipid metabolism | 2.01 | 226.63 | 0.023 |
| ESI (+) | 519.713 | 821.5524549 | PI(P-16:0/18:1(9Z)) | Glycerophospholipid metabolism | 2.03 | 884.00 | 0.00014 |
| ESI (+) | 439.284 | 837.547032 | PI(22:1(11Z)/12:0) | Glycerophospholipid metabolism | 2.01 | 210.10 | 1.34E−06 |
| ESI (−) | 545.547 | 331.264861 | Adrenic acid | Biosynthesis of unsaturated fatty acid | 1.04 | 1.39 | 0.027 |
| ESI (−) | 560.467 | 309.271544 | Icosenoic acid | Biosynthesis of unsaturated fatty acid | 1.35 | 2.32 | 0.00036 |
| ESI (−) | 639.652 | 283.264859 | Stearic acid | Biosynthesis of unsaturated fatty acid | 1.10 | 1.44 | 0.035 |
| ESI (+) | 421.994 | 400.2801629 | L-Palmitoylcarnitine | Fatty acid metabolism | 1.68 | 16.16 | 0.0025 |
| ESI (+) | 392.1765 | 500.2850825 | Taurochenodesoxycholic acid | Primary bile acid biosynthesis | 1.88 | 13.71 | 4.89E−06 |
| ESI (−) | 297.733 | 407.0633335 | Cholic acid | Primary bile acid biosynthesis | 1.41 | 4.55 | 0.0021 |
| ESI (+) | 394.4385 | 374.2895602 | Ursodeoxycholic acid | Primary bile acid biosynthesis | 1.67 | 0.33 | 8.58E−05 |
| ESI (+) | 363.583 | 483.332665 | Lithocholyltaurine | – | 1.49 | 13.57 | 0.030 |
| ESI (+) | 366.023 | 328.1413614 | 5-Acetamidovalerate | – | 1.31 | 2.19 | 0.0056 |
| ESI (+) | 305.9705 | 368.2426992 | 11-Dehydro-thromboxane B2 | – | 1.74 | 0.25 | 1.01E−05 |
| ESI (+) | 441.3365 | 360.2526586 | Resolvin D5 | – | 1.56 | 0.24 | 0.012 |
| ESI (+) | 532.899 | 279.1005666 | Alpha-dimorphecolic acid | – | 1.41 | 1.80 | 0.00058 |
| ESI (+) | 244.632 | 309.1805271 | 2,3-Dinor-6-keto-prostaglandin F1 a | – | 1.16 | 0.64 | 0.030 |
| ESI (+) | 376.4805 | 430.263936 | Hexadecanedioic acid mono-L-carnitine ester | – | 1.87 | 9.49 | 0.00026 |
| ESI (−) | 482.271 | 303.2335177 | Ethyl oleate | – | 1.56 | 4.08 | 0.0022 |
| ESI (−) | 520.4375 | 329.2491524 | Docosapentaenoic acid (22n-3) | – | 1.23 | 2.07 | 0.011 |
| ESI (−) | 453.562 | 297.1071611 | 9,10-epoxyoctadecanoic acid | – | 1.22 | 3.16 | 0.018 |
| ESI (−) | 558.79 | 700.557389 | 13-OxoODE | – | 1.14 | 0.062 | 0.045 |
| ESI (+) | 411.144 | 352.2841858 | MG(0:0/18:3(9Z,12Z,15Z)/0:0) | – | 1.72 | 3.30 | 0.00039 |
| ESI (+) | 449.367 | 676.4258482 | Gingerglycolipid A | – | 1.63 | 0.034 | 0.0023 |
ESI+ electrospray ionization in positive ion mode, ESI− electrospray ionization in negative ion mode, LysoPC lysophosphatidylcholine, PC phosphatidylcholine, PE phosphoethanolamine, PG phosphatidylglycerol, PI phosphatidyl inositol, PS phosphatidylserine, RT retention time, VIP variance importance for projection