Table 3 List of differential metabolites for discrimination among the CV, MV, CF, and MF groups from feces analysis.
tR (min) | Metabolite | Formula | Ionization mode | Measured m/z | Mass error (mDa) | MV vs. CV | MF vs. MV | CF vs. CV | |||
|---|---|---|---|---|---|---|---|---|---|---|---|
Fold change | VIP score | Fold change | VIP score | Fold change | VIP score | ||||||
6.27 | Adrenic acida | C22H36O2 | POS | 355.2612 | −0.1 | 1.50 | 3.2 | ||||
6.27 | Cholic acid | C24H40O5 | NEG | 407.2795 | −0.2 | 0.46 | 3.0 | 1.96 | 4.2 | 1.80 | 6.9 |
6.28 | Cervonoyl ethanolamide | C24H36O3 | POS | 373.2711 | −3.2 | 2.95 | 2.4 | 1.58 | 3.4 | ||
8.45 | Chenodeoxycholic acid | C24H40O4 | NEG | 391.2851 | 0.3 | 0.10 | 2.0 | ||||
9.81 | 3-Oxo-4,6-choladienoic acid | C24H34O3 | POS | 371.2554 | −3.2 | 1.76 | 3.0 | ||||
11.13 | Deoxycholic acid | C24H40O4 | NEG | 391.2851 | 0.3 | 0.41 | 7.8 | 2.88 | 8.9 | ||
Deoxycholic acidb | C24H40O4 | POS | 785.5880 | −5.1 | 0.15 | 4.6 | 5.49 | 3.2 | |||
11.47 | Ceanothenic acid | C29H42O4 | POS | 455.3160 | −0.1 | 0.33 | 3.0 | 2.45 | 2.5 | ||
11.62 | LysoPE(0:0/18:2) | C23H44NO7P | NEG | 476.2789 | 1.2 | 5.72 | 2.0 | ||||
12.98 | 1-Palmitoylglycerophosphoinositol | C25H49O12P | NEG | 571.2891 | 0.8 | 0.70 | 2.5 | ||||
13.17 | LysoPE(0:0/18:1) | C23H46NO7P | NEG | 478.2919 | −1.5 | 3.06 | 2.7 | ||||
13.41 | Avenoleic acid | C18H32O3 | NEG | 295.2253 | −2.0 | 0.49 | 1.5 | ||||
13.60 | N-Decanoylglycinec | C12H23NO3 | NEG | 457.3309 | 3.1 | 0.35 | 2.5 | 0.42 | 2.9 | ||
13.72 | Oxooctadecanoic acid | C18H34O3 | NEG | 297.2419 | −1.1 | 1.29 | 2.7 | 0.84 | 1.9 | ||
13.84 | Hydroxylinolenic acid | C18H30O3 | NEG | 293.2103 | −1.4 | 0.50 | 5.3 | ||||
13.85 | Hexadecenoic acida | C16H30O2 | POS | 277.2149 | 0.6 | 0.62 | 3.1 | ||||
14.08 | LysoPE(0:0/16:0) | C21H44NO7P | POS | 454.2897 | −3.7 | 0.76 | 3.4 | ||||
14.17 | LysoPC(16:0) | C24H50NO7P | POS | 496.3380 | −2.3 | 0.71 | 5.0 | 0.67 | 6.4 | ||
14.80 | LysoPC(18:1) | C26H52NO7P | POS | 522.3534 | −2.6 | 1.27 | 7.6 | 0.64 | 10.7 | 0.73 | 4.6 |
14.81 | LysoPE(0:0/20:1) | C25H50NO7P | NEG | 506.3223 | −2.4 | 0.67 | 1.7 | 0.44 | 2.8 | ||
15.92 | Hydroxyoctadecanoic acid | C18H36O3 | NEG | 299.2570 | −1.6 | 0.52 | 3.1 | ||||
17.35 | Linolenic acid | C18H30O2 | NEG | 277.2141 | −2.7 | 1.31 | 2.7 | ||||
17.36 | MG(0:0/18:2/0:0) | C21H38O4 | POS | 377.2628 | −4.0 | 1.53 | 2.1 | ||||
17.65 | Palmitic amide | C16H33NO | POS | 256.2602 | −3.8 | 2.59 | 3.0 | ||||
17.85 | 3a,7a-Dihydroxy-5b-cholestanea | C27H48O2 | POS | 427.3551 | −0.1 | 0.78 | 3.5 | ||||
18.00 | Oleamide | C18H35NO | POS | 282.2767 | −3.0 | 4.44 | 4.6 | ||||