Table 1. Metabolites with high relevance in the classification of temperament types.
| Metabolite Feature Name | Technique | Tissue | VIP | Occurrence Cross-validation | Kruskal-Wallis-Test |
|---|---|---|---|---|---|
| 2,4-dihydroxy-Butanoic acid | GC-MS | PC | 6.51 | 24 | 0.0006 |
| N-(2-hydroxyethyl)heptadecanamide | LC-MS | S | 4.31 | 17 | 0.0187 |
| GPSer(18:1(9Z)/0:0) | LC-MS | PC | 4.05 | 24 | 0.0048 |
| Ribonic acid | GC-MS | PC | 3.85 | 24 | 0.0028 |
| 1alpha,25-dihydroxy-26,27-dimethyl-24a-homovitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-24a-homocalciferol | LC-MS | PC | 3.81 | 24 | 0.0088 |
| N-acetyl-Cysteine | GC-MS | S | 3.79 | 16 | 0.0230 |
| Arachidonyl lysolecithin | LC-MS | S | 3.27 | 17 | 0.0212 |
| N-methyl N-(2-hydroxy-ethyl) arachidonoyl amine | LC-MS | S | 3.16 | 16 | 0.0316 |
| Allopregnanolone | LC-MS | S | 2.91 | 15 | 0.0183 |
| O-Acetylserine | LC-MS | PC | 2.75 | 23 | 0.0107 |
| Vitamin K1 hydroquinone | LC-MS | PC | 2.68 | 23 | 0.0059 |
| (22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalciferol | LC-MS | S | 2.55 | 16 | 0.0257 |
| GPGro(18:0/20:4(5Z,8Z,11Z,14Z)) / GPGro(18:0/20:4) | LC-MS | PC | 2.47 | 24 | 0.0014 |
| 1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine / PE(P-16:0/22:6 | LC-MS | PC | 2.03 | 24 | 0.0026 |
| 5a-Tetrahydrocorticosterone | LC-MS | PC | 1.98 | 16 | 0.0056 |
| Cystathionine | LC-MS | S | 1.86 | 17 | 0.0216 |
| 3-Deoxyvitamin D3 | LC-MS | PC | 1.75 | 23 | 0.0078 |
| D-Pantothenic acid | GC-MS | PC | 1.70 | 21 | 0.0020 |
| Ascorbate | LC-MS | PC | 1.70 | 23 | 0.0136 |
| GlcNalpha1-6Ins-1-P-Cer(t18:0/26:0) | LC-MS | S | 1.68 | 12 | 0.0221 |
| Pyroglutamic acid | GC-MS | PC | 1.60 | 23 | 0.0410 |
| Homoserine | GC-MS | PC | 1.43 | 20 | 0.0046 |
| 2-Methylbutyrylglycine | LC-MS | S | 1.40 | 7 | 0.0210 |
| N-(2-hydroxyethyl)icosanamide | LC-MS | PC | 1.35 | 21 | 0.0049 |
| Pregnenolone | LC-MS | S | 1.22 | 6 | 0.0285 |
| 2-hydroxy-Glutaric acid | GC-MS | PC | 1.18 | 21 | 0.2351 |
Metabolite names, measuring technique and their VIP-Scores, number of occurrences in the outer cross-validation runs and nominal p-values for the Kruskal-Wallis-Test are shown for serum (S) and prefrontal cortex (PC) metabolites with high relevance in the classification of temperament types.