Table 1.
Category | Compound | RT | %Δ | FC | log2FC | pBH | VIP |
---|---|---|---|---|---|---|---|
Fatty Acyls | Caprylic acid (octanoic acid) |
9.79 | 41.43 | 1.41 | 0.50 | <0.0001 | 1.17 |
Caproic acid (hexanoic acid) |
7.06 | −68.94 | 0.31 | −1.69 | <0.0001 | 2.04 | |
Lauric acid (dodecanoic acid) |
14.75 | 69.22 | 1.69 | 0.76 | 0.002 | 1.00 | |
Palmitic acid (hexadecanoic acid) |
18.87 | 92.58 | 1.93 | 0.95 | <0.0001 | 1.06 | |
Stearic acid (octadecanoic acid) |
20.69 | 80.19 | 1.80 | 0.85 | 0.002 | 1.02 | |
Palmitoleic acid (hexadecenoic acid) |
18.68 | 181.07 | 2.81 | 1.49 | <0.0001 | 1.00 | |
Linoleic acid (octadecadienoic acid) |
20.41 | 140.74 | 2.41 | 1.27 | <0.0001 | 1.02 | |
Oleic acid (octadecenoic acid) |
20.46 | 177.32 | 2.77 | 1.47 | <0.0001 | 1.07 | |
Organic acids and derivatives | Lactic acid (2-hydroxypropanoic acid) | 6.85 | −56.24 | 0.44 | −1.19 | <0.0001 | 3.96 |
2-hydroxybutyric acid | 7.79 | 87.56 | 1.88 | 0.91 | <0.0001 | 1.09 | |
3-hydroxybutyric acid | 8.28 | 257.75 | 3.58 | 1.84 | <0.0001 | 1.58 | |
Pyruvic acid (2-oxopropanoic acid) |
6.70 | −65.78 | 0.34 | −1.55 | <0.0001 | 2.04 | |
2-ketoisocaproic acid (ketoleucine) |
8.54 | 33.61 | 1.34 | 0.42 | 0.049 | 1.03 | |
Carbohydrates and carbohydrate conjugates | Glycerol | 9.87 | 69.00 | 1.69 | 0.76 | <0.0001 | 1.08 |
Glyceric acid | 10.65 | 30.93 | 1.31 | 0.39 | 0.002 | 1.00 | |
Mannose | 17.22 | 19.80 | 1.20 | 0.26 | 0.002 | 1.02 | |
Galactose/glucose | 17.55 | 17.57 | 1.18 | 0.23 | 0.002 | 1.66 | |
Sterol Lipids | Cholesterol | 27.57 | 30.47 | 1.30 | 0.38 | 0.003 | 1.04 |
%Δ, percentage of change; FC, fold change; pBH, Benjamini–Hochberg adjusted p-value; RT, retention time; VIP, variable importance in the projection.