Table 2 List of differential metabolites for discrimination among the CV, MV, CF, and MF groups from serum 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 | ||||||
1.22 | L-Leucine/L-Isoleucine | C6H13NO2 | POS | 132.1008 | −1.7 | 0.79 | 10.0 | 1.72 | 7.4 | ||
1.41 | Tyraminea | C8H11NO | POS | 160.0747 | 0.9 | 0.04 | 11.9 | 0.04 | 14.8 | ||
2.00 | L-Tryptophan | C11H12N2O2 | POS | 205.0965 | −1.2 | 0.66 | 9.7 | ||||
NEG | 203.0822 | 0.1 | 0.42 | 4.5 | |||||||
2.48 | Indoxyl sulfate | C4H8NO7P | NEG | 212.0016 | 5.6 | 2.61 | 7.17 | ||||
3.90 | 5-Thymidylic acid | C10H15N2O8P | NEG | 321.0432 | −5.6 | 2.07 | 6.03 | ||||
11.73 | β-Citryl-L-glutamic acidb | C11H15NO10 | NEG | 641.1373 | 5.9 | 0.57 | 5.41 | 237.34 | 9.0 | 103.00 | 9.9 |
11.74 | LysoPC(16:1) | C24H48NO7P | POS | 494.3240 | −0.7 | 0.59 | 13.0 | 2.74 | 6.2 | ||
12.48 | LysoPE(0:0/18:2) | C23H44NO7P | POS | 478.2922 | −1.2 | 1.69 | 12.4 | 1.28 | 6.7 | ||
NEG | 476.2781 | 0.4 | 1.52 | 6.12 | 0.56 | 3.8 | |||||
12.59 | LysoPE(0:0/20:2) | C25H48NO7P | NEG | 504.3099 | 0.9 | 1.41 | 11.77 | 0.78 | 7.7 | 0.80 | 3.5 |
12.59 | LysoPC(18:2) | C26H50NO7P | POS | 520.3408 | 0.5 | 1.18 | 29.7 | 0.93 | 13.3 | ||
12.68 | LysoPC(20:4) | C28H50NO7P | POS | 544.3404 | 0.1 | 0.63 | 23.3 | 0.58 | 14.5 | 0.81 | 12.8 |
12.68 | LysoPE(0:0/22:4) | C27H48NO7P | NEG | 528.3098 | 0.8 | 0.54 | 5.0 | ||||
13.40 | LysoPC(15:0) | C23H48NO7P | NEG | 480.3085 | −0.5 | 0.66 | 10.0 | 0.70 | 9.6 | ||
13.40 | LysoPC(16:0) | C24H50NO7P | POS | 496.3403 | 0.0 | 0.34 | 23.9 | ||||
13.51 | LysoPC(20:3) | C28H52NO7P | POS | 546.3554 | −0.6 | 0.77 | 8.4 | ||||
14.10 | LysoPE(0:0/20:1) | C25H50NO7P | NEG | 506.3244 | −0.3 | 0.71 | 10.52 | ||||
14.10 | LysoPC(18:1) | C26H52NO7P | POS | 522.3551 | −0.9 | 0.60 | 20.6 | 0.76 | 17.7 | ||
15.89 | Hydrocinnamic acidc | C9H10O2 | POS | 301.1401 | −3.9 | 1.53 | 6.4 | 1.48 | 11.4 | ||
19.24 | Docosahexaenoic acid | C22H32O2 | NEG | 327.2317 | −1.6 | 0.37 | 4.78 |