Table 1.
NO. | Metabolites | Formula | Rt (min) | M/Z | VIP | Con vs. LPS | LPS vs.DM-M | LPS vs.DM-H | Fragmentations (m/z) | |||
---|---|---|---|---|---|---|---|---|---|---|---|---|
P | FC | P | FC | P | FC | |||||||
1 | PI(20:0/16:0) | C45H87O13P | 17.262 | 866.3584 | 1.21076 | 5.05E-10 | 0.43788 | 2.42E-05 | 1.59392 | 3.64E-07 | 2.15291 | 255.2329; 627.3515 |
2 | PE(14:1(9Z)/18:3(6Z,9Z,12Z)) | C37H66NO8P | 2.452 | 701.4933 | 3.70328 | 4.73E-26 | 0.39028 | 6.18E-15 | 1.48864 | 6.24E-23 | 2.34811 | 565.4227; 663.3996 |
3 | Sphinganine | C18H39NO2 | 2.386 | 340.2589 | 1.26835 | 1.17E-12 | 0.37635 | 6.71E-08 | 1.84174 | 2.33E-11 | 2.69873 | 60.0443; 284.2973 |
4 | PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0) | C46H82NO7P | 2.506 | 814.5797 | 4.90904 | 1.68E-28 | 0.39893 | 1.52E-21 | 1.74587 | 9.63E-27 | 2.24652 | 184.0733; 792.5902 |
5 | Choloyl-CoA | C45H74N7O20P3S | 2.517 | 1148.7852 | 1.48302 | 3.66E-13 | 0.59524 | 4.62E-13 | 1.68328 | 8.87E-13 | 1.9727 | 1122.3784;1140.3889 |
6 | LysoPC(O-18:0/0:0) | C26H56NO6P | 2.64 | 510.3876 | 1.02389 | 4.10E-25 | 0.40162 | 3.97E-17 | 1.57946 | 9.81E-25 | 2.30119 | 104.0912; 510.3880 |
7 | Phytosphingosine | C18H39NO3 | 4.147 | 318.3007 | 2.15063 | 2.22E-10 | 2.62828 | 0.00088 | 0.76484 | 1.16E-08 | 0.52956 | 60.0452; 318.3008 |
8 | Pyrimethamine | C12H13C1lN4 | 5.389 | 248.1071 | 2.29407 | 6.02E-10 | 1.83568 | 0.00067 | 0.83932 | 1.74E-05 | 0.76639 | 198.0808; 233.0664 |
9 | Sulfamethazine | C12H14N4O2S | 7.174 | 279.0921 | 2.75416 | 1.94E-08 | 1.45655 | 7.71E-07 | 0.71174 | 6.10E-09 | 0.63607 | 124.0271; 149.0230 |
10 | Pantothenic acid | C9H17NO5 | 7.348 | 219.1324 | 1.06118 | 2.19E-06 | 1.57678 | 0.00023 | 0.74936 | 6.16E-07 | 0.595687 | 90.0550; 220.1178 |
11 | dTDP | C10H16N2O11P2 | 7.272 | 435.0549 | 1.00089 | 2.82E-08 | 2.1878 | 7.15E-08 | 0.52578 | 1.99E-09 | 0.441967 | 127.0586 |
12 | Linoleic acid | C18H32O2 | 11.983 | 280.3053 | 1.65539 | 2.77E-16 | 2.74883 | 4.69E-11 | 0.52958 | 4.61E-10 | 0.53843 | 41.0810; 263.1666 |
13 | PC(14:0/20:2(11Z,14Z)) | C42H80NO8P | 13.172 | 758.5703 | 2.46195 | 5.09E-10 | 1.9892 | 1.39E-08 | 0.59024 | 2.39E-09 | 0.52511 | 184.0732; 758.5725 |
14 | 3'-Hydroxy-e,e-caroten-3-one | C40H54O2 | 2.331 | 566.43 | 2.61367 | 0.000157 | 0.266704 | 0.019972 | 4.068175 | 3.50E-06 | 5.407536 | 287.1794; 349.2458 |
15 | TG(10:0/8:0/16:0) | C37H70O6 | 7.152 | 679.5111 | 3.82137 | 6.23E-07 | 0.216653 | 0.533412 | 1.454168 | 0.000318 | 3.093924 | 127.1117; 611.5245 |
16 | MG(0:0/16:1(9Z)/0:0) | C19H36O4 | 2.371 | 351.2506 | 1.18789 | 3.31E-07 | 0.088711 | 5.35E-05 | 11.18208 | 0.039996 | 5.920102 | 351.2506 |
17 | 4,8 Dimethylnonanoyl carnitine | C18H35NO4 | 2.435 | 352.2458 | 1.15007 | 1.70E-06 | 0.161729 | 0.037749 | 5.573445 | 0.102297 | 3.884997 | 85.0286; 330.2638 |
18 | TG(24:0/24:0/24:0) | C75H146O6 | 2.527 | 1143.8027 | 1.9883 | 0.0043 | 0.680223 | 2.95E-09 | 3.449353 | 3.28E-08 | 4.221253 | 775.7538; 1144.1192 |
19 | 3-Methylhistidine | C7H11N3O2 | 5.389 | 867.1071 | 2.29407 | 0.001348 | 1.774902 | 0.054547 | 0.701298 | 0.009556 | 0.577705 | 865.5811 |
20 | Terephthalic acid | C8H6O4 | 7.19 | 149.0231 | 1.94229 | 0.03816 | 1.556249 | 0.00322 | 0.444208 | 0.004775 | 0.47752 | 121.0295 |
21 | Anofinic acid | C12H12O3 | 7.19 | 205.0859 | 1.49016 | 1.16E-05 | 2.118335 | 0.00057 | 0.63091 | 0.001171 | 0.665832 | 187.0754; 205.0859 |
22 | 1-Stearoylglycerophosphoglycerol | C24H49O9P | 9.283 | 530.3452 | 2.62522 | 0.012386 | 2.746449 | 0.00105 | 0.597754 | 0.855365 | 1.057998 | 267.2682; 341.3050 |
23 | DG(22:0/24:0/0:0) | C49H96O5 | 9.153 | 763.2448 | 1.08291 | 0.003817 | 2.208159 | 0.175033 | 0.71258 | 0.024067 | 0.57913 | 397.3676; 425.3989 |
24 | Pentolinium | C15H32N2 | 9.578 | 263.2458 | 1.30865 | 0.00047 | 2.313994 | 0.004618 | 0.577774 | 0.001309 | 0.503244 | 96.0810; 1,140,920 |
25 | Cohibin C | C37H68O4 | 15.859 | 577.519 | 1.06788 | 0.000343 | 15.15793 | 0.010844 | 0.391416 | 0.00119 | 0.180381 | 81.0355; 541.4979 |
26 | PA(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) | C45H75O8P | 17.227 | 778.7852 | 1.840872 | 2.64E-05 | 0.406488 | 0.004533 | 2.07273 | 0.002669 | 3.610348 | 699.5323; 797.5092 |
27 | Leontogenin | C27H42O5 | 17.217 | 464.3371 | 1.464973 | 2.50E-06 | 0.207219 | 0.096437 | 1.677627 | 0.045176 | 2.848881 | 4.0386; 429.2999 |
28 | PI(16:0/20:0) | C45H87O13P | 2.242 | 865.3286 | 1.815752 | 4.00E-06 | 0.325564 | 0.011288 | 2.267752 | 0.002873 | 5.618772 | 311.2955; 571.2889 |
29 | LysoPE(0:0/20:4(8Z,11Z,14Z,17Z)) | C25H44NO7P | 6.098 | 524.2748 | 4.70183 | 0.000472 | 1.368666 | 0.055892 | 0.7098 | 0.002355 | 0.620224 | 44.0495; 361.2737 |
30 | LysoPE(0:0/22:4(7Z,10Z,13Z,16Z)) | C27H48NO7P | 6.346 | 552.3022 | 1.5285 | 0.001548 | 1.62543 | 0.0153 | 0.72558 | 0.00071 | 0.57564 | 389.3050; 487.2819 |
31 | Arachidonic acid | C20H32O2 | 10.543 | 327.2306 | 4.0233 | 2.86E-23 | 1.75205 | 7.40E-15 | 0.79066 | 4.25E-22 | 0.64154 | 303.2335 |
32 | Oleic acid | C18H34O2 | 10.654 | 283.2625 | 1.01725 | 6.71E-07 | 1.82879 | 7.30E-06 | 0.66678 | 3.83E-08 | 0.53553 | 69.0000; 247.0245 |