Table 2.
Category | Compound | ESI Mode | m/z | RT | %Δ | FC | log2FC | pBH | VIP |
---|---|---|---|---|---|---|---|---|---|
Fatty Acyls | Thapsic acid (hexadecanedioic acid) | - | 285.2072 | 16.30 | 138.00 | 2.38 | 1.25 | <0.0001 | 1.47 |
Methylhexadecenoic acid | + | 269.2461 | 18.70 | 86.68 | 1.87 | 0.90 | <0.0001 | 1.05 | |
Palmitoleic acid | - | 253.2176 | 27.60 | 88.09 | 1.88 | 0.91 | <0.0001 | 1.14 | |
Linolenic acid (octadecatrienoic acid) |
- | 277.2174 | 25.90 | 91.04 | 1.91 | 0.93 | <0.0001 | 1.12 | |
Oleic acid | - | 281.2493 | 31.45 | 80.58 | 1.81 | 0.85 | <0.0001 | 1.03 | |
Eicosapentaenoic acid | + | 303.2313 | 25.54 | 252.02 | 3.52 | 1.82 | <0.0001 | 1.19 | |
Docosapentaenoic acid | - | 329.2488 | 28.63 | 103.96 | 2.04 | 1.03 | <0.0001 | 1.19 | |
Decadienal | + | 153.1267 | 12.45 | −30.21 | 0.70 | −0.52 | <0.0001 | 0.28 | |
Octadecadienal (9,12) | + | 265.2508 | 25.92 | 146.52 | 2.47 | 1.30 | <0.0001 | 2.78 | |
Tetradecenoylcarnitine | + | 370.2963 | 12.70 | 113.97 | 2.14 | 1.10 | <0.0001 | 1.01 | |
9-hydroxyoctadecadienoic acid (9-HODE) | - | 295.2278 | 18.71 | 388.27 | 4.88 | 2.29 | <0.0001 | 3.97 | |
Glycerolipids | MG(16:0) | + | 331.2855 | 27.69 | 246.30 | 3.46 | 1.79 | <0.0001 | 1.55 |
MG(18:0) | + | 359.3155 | 32.05 | 2966.39 | 30.66 | 4.94 | <0.0001 | 6.00 | |
MG(18:2(9,12)) | + | 355.2844 | 25.33 | 238.69 | 3.39 | 1.76 | <0.0001 | 1.23 | |
Organic acids and derivatives | Arginine | + | 175.1190 | 0.57 | 62.43 | 1.62 | 0.70 | <0.0001 | 1.37 |
Threonylhistidine | - | 255.1121 | 1.79 | 91.05 | 1.91 | 0.93 | <0.0001 | 1.57 | |
O-methoxycatechol-O-sulphate | - | 203.0025 | 1.51 | −71.64 | 0.28 | −1.82 | <0.0001 | 1.59 | |
Pyrocatechol sulfate | - | 188.9878 | 1.19 | −80.33 | 0.20 | −2.35 | <0.0001 | 3.47 | |
Organoheterocyclic compounds | Biliverdin | + | 583.2551 | 9.90 | 180.27 | 2.80 | 1.49 | <0.0001 | 1.10 |
Prenol Lipids | Retinal | + | 285.2222 | 25.55 | 754.02 | 8.54 | 3.09 | <0.0001 | 2.91 |
Sterol Lipids | Hyodeoxycholic acid | - | 391.2841 | 15.03 | −83.22 | 0.17 | −2.57 | <0.0001 | 3.60 |
Pregnenolone | + | 317.2472 | 25.56 | 653.97 | 7.54 | 2.91 | <0.0001 | 1.66 |
%Δ, percentage of change; FC, fold change; pBH, Benjamini–Hochberg adjusted p-value; RT, retention time; VIP, variable importance in the projection.