Clustering data with hclust algorithm for (Study ST001754)
(Analysis AN002857)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Hippuric Acid_R2 | ME406638 | 25.23 | 0.30 | 0.04 | 0.06 | 0.41 | 0.08 | 0.04 | 0.08 | 0.01 | 0.12 | 0.09 | 0.45 | 0.02 | 0.05 | 0.01 | 0.42 | 0.13 | 0.22 | 0.20 | 0.23 | 0.04 | 0.07 | 0.27 | 0.04 | 0.07 | 0.09 | 0.40 | 0.11 |
| Hydroxyhippuric acid | ME406640 | 13.32 | NA | NA | NA | 0.16 | NA | NA | NA | NA | NA | NA | 0.54 | 0.11 | 0.15 | 0.13 | 0.17 | 0.35 | 0.14 | 0.12 | NA | 0.14 | NA | 0.12 | 0.13 | NA | NA | 0.18 | 0.13 |
| Taurocholic acid (TCA)_R1 | ME406729 | 0.37 | 3.72 | 0.18 | 0.11 | 0.28 | 1.63 | 1.34 | 0.23 | 0.45 | 0.38 | 0.86 | 0.17 | 0.36 | 0.26 | 0.26 | 0.12 | 0.63 | 0.21 | 0.05 | 0.16 | 0.17 | 0.09 | 0.40 | 0.11 | 0.38 | 5.20 | 2.81 | 8.51 |
| Taurocholic acid (TCA);Taurocholic acid | ME406733 | 0.33 | 3.41 | 0.17 | 0.09 | 0.24 | 1.59 | 1.15 | 0.21 | 0.37 | 0.33 | 0.71 | 0.16 | 0.29 | 0.20 | 0.21 | 0.10 | 0.55 | 0.18 | 0.04 | 0.17 | 0.17 | 0.08 | 0.34 | 0.09 | 0.30 | 5.10 | 2.70 | 10.24 |
| Taurocholic acid (TCA)_R2 | ME406730 | 0.31 | 3.37 | 0.15 | 0.09 | 0.22 | 1.52 | 1.14 | 0.19 | 0.35 | 0.31 | 0.72 | 0.14 | 0.27 | 0.20 | 0.20 | 0.10 | 0.52 | 0.17 | 0.03 | 0.16 | 0.16 | 0.07 | 0.32 | 0.09 | 0.29 | 5.16 | 2.66 | 10.63 |
| Taurocholic acid (TCA)_R4 | ME406732 | 0.31 | 3.40 | 0.14 | 0.10 | 0.23 | 1.52 | 1.13 | 0.19 | 0.35 | 0.30 | 0.72 | 0.14 | 0.27 | 0.20 | 0.20 | 0.09 | 0.51 | 0.17 | 0.04 | 0.16 | 0.16 | 0.08 | 0.33 | 0.09 | 0.28 | 5.19 | 2.66 | 10.58 |
| Taurodeoxycholic Acid (T-DCA);Taurochenodesoxycholic acid (T-CDCA)_R2 | ME406735 | 0.08 | 2.35 | NA | 0.05 | 0.20 | 0.24 | 0.39 | 0.27 | 0.17 | 0.63 | 0.42 | 0.16 | 0.33 | 0.05 | 0.32 | 0.18 | 0.41 | 0.20 | 0.37 | 0.47 | 0.21 | 0.14 | 0.54 | 0.18 | 0.06 | 5.11 | 2.85 | 11.92 |
| Taurochenodesoxycholic acid (T-CDCA);Taurodeoxycholic Acid (T-DCA)_R1 | ME406727 | 0.03 | 2.23 | NA | 0.02 | 0.16 | 0.06 | 0.07 | 0.20 | 0.09 | 0.50 | 0.35 | 0.10 | 0.29 | 0.01 | 0.27 | 0.12 | 0.07 | 0.19 | 0.30 | 0.35 | 0.03 | 0.09 | 0.44 | 0.11 | 0.03 | 5.18 | 2.68 | 14.47 |
| Taurochenodesoxycholic acid (T-CDCA);Taurodeoxycholic Acid (T-DCA)_R2 | ME406728 | 0.24 | 1.39 | 0.04 | 0.06 | 0.10 | 0.48 | 0.66 | 0.18 | 0.32 | 0.33 | 0.23 | 0.09 | 0.19 | 0.07 | 0.35 | 0.09 | 0.55 | 0.14 | 0.19 | 0.20 | 0.27 | 0.07 | 0.49 | 0.13 | 0.19 | 4.36 | 3.14 | 14.88 |
| Taurodeoxycholic Acid (T-DCA);Taurochenodesoxycholic acid (T-CDCA)_R1 | ME406734 | 0.27 | 1.42 | 0.04 | 0.04 | 0.11 | 0.48 | 0.65 | 0.20 | 0.37 | 0.32 | 0.28 | 0.07 | 0.22 | 0.10 | 0.38 | 0.12 | 0.61 | 0.16 | 0.22 | 0.20 | 0.24 | 0.05 | 0.55 | 0.15 | 0.19 | 4.62 | 3.04 | 14.26 |
| Triethanolamine | ME406742 | 0.74 | 0.66 | 7.55 | 0.42 | 0.69 | 7.84 | 0.21 | 0.28 | 1.11 | 0.40 | 0.38 | 0.64 | 0.30 | 0.92 | 0.31 | 0.57 | 1.21 | 0.36 | 0.14 | 0.23 | 0.53 | 0.30 | 0.58 | 0.47 | 0.26 | 0.63 | 0.72 | 0.33 |
| QUINATE | ME406718 | 2.52 | 0.23 | 0.21 | NA | 0.21 | 0.24 | 0.29 | 5.33 | 0.38 | 1.11 | 1.01 | 0.24 | 0.18 | 0.28 | 0.12 | 2.41 | 0.14 | 3.13 | 0.24 | 6.63 | NA | 0.50 | 0.43 | 0.09 | 0.40 | 0.41 | 0.42 | 0.20 |
| CYTIDINE_R2 | ME406615 | 0.16 | 0.08 | 0.04 | 2.04 | 3.69 | 0.05 | 0.10 | 0.24 | 1.27 | 0.41 | 3.55 | 0.02 | 0.03 | 0.21 | 0.03 | 1.75 | 0.06 | 3.84 | 1.39 | 0.27 | 0.02 | 0.03 | 1.42 | 0.05 | 0.10 | 5.27 | 2.31 | 0.13 |
| LysoPC (22:6) | ME406674 | 0.72 | 0.22 | 0.23 | 1.66 | 0.08 | 0.20 | 0.49 | 2.35 | 7.68 | 1.64 | 2.09 | 0.12 | 0.33 | 1.49 | 0.20 | 3.11 | 0.65 | 0.43 | 0.91 | 1.16 | 0.04 | 0.09 | 0.59 | 0.56 | 0.19 | 0.42 | 0.24 | 1.41 |
| LysoPE (22:6) | ME406679 | 1.35 | 0.31 | 0.29 | 1.18 | 0.30 | 0.56 | 0.95 | 2.05 | 4.60 | 1.83 | 1.27 | 0.14 | 0.34 | 2.38 | 0.47 | 2.54 | 0.90 | 0.61 | 0.79 | 1.53 | 0.15 | 0.20 | 0.67 | 0.70 | 0.24 | 0.59 | 0.32 | 1.95 |
| Glycoursodeoxycholic acid (G-UDCA)_R3 | ME406631 | NA | 5.65 | 0.38 | 1.52 | 0.46 | 0.62 | NA | NA | 0.52 | 0.46 | 0.49 | 0.55 | 0.54 | 0.49 | 0.39 | 0.37 | 0.47 | 0.64 | 0.97 | 0.34 | NA | 0.62 | 1.83 | 0.51 | 0.41 | 2.35 | 0.48 | 2.93 |
| Glycoursodeoxycholic acid (G-UDCA)_R1 | ME406629 | 0.22 | 6.10 | 0.42 | 2.29 | 0.30 | 0.28 | NA | 0.35 | 1.26 | 0.91 | 0.42 | 1.76 | 0.32 | 0.61 | 0.31 | 0.40 | 0.30 | 0.28 | 1.37 | 0.35 | 0.29 | 1.36 | 1.10 | 0.29 | 0.63 | 2.54 | 0.96 | 1.48 |
| Glycoursodeoxycholic acid (G-UDCA)_R2 | ME406630 | 0.30 | 7.02 | 0.37 | 2.58 | NA | 0.28 | NA | 0.40 | 0.24 | 0.25 | 0.48 | 0.93 | 0.36 | 0.68 | NA | 0.45 | 0.23 | 0.29 | 0.68 | 0.36 | NA | 0.46 | 1.27 | 0.22 | 0.27 | 2.86 | 1.08 | 1.67 |
| 6C-SUGAR ALCOHOL | ME406585 | 3.76 | 0.88 | 0.71 | 0.60 | 1.63 | 0.83 | 0.61 | 1.18 | 0.47 | 1.54 | 0.95 | 0.86 | 0.52 | 7.23 | 0.38 | 0.35 | 0.26 | 2.36 | 0.30 | 1.00 | 0.24 | 0.37 | 0.25 | 0.18 | 0.28 | 0.43 | 0.39 | 0.34 |
| URIDINE | ME406747 | 0.89 | 0.48 | 1.22 | 0.75 | 1.34 | 3.04 | 0.40 | 1.26 | 1.07 | 1.64 | 1.01 | 1.28 | 0.60 | 5.93 | 0.12 | 0.71 | 0.49 | 0.72 | 0.33 | 0.35 | 0.23 | 1.47 | 0.13 | 0.68 | 0.71 | 0.82 | 0.14 | 0.78 |
| 5-AMINOLEVULINIC ACID;4-HYDROXYPROLINE;trans-4-Hydroxy-L_Proline | ME406577 | 3.88 | 0.28 | 1.18 | 0.14 | 0.24 | 0.66 | 1.43 | 3.47 | 0.38 | 3.66 | 1.19 | 0.21 | 0.54 | 1.19 | 0.25 | 0.67 | 1.17 | 1.81 | 1.32 | 0.85 | 0.14 | 0.35 | 0.72 | 0.46 | 0.84 | 0.08 | 1.18 | 0.81 |
| DL-5-HYDROXYLYSINE | ME406619 | 2.39 | 0.28 | 0.98 | 0.26 | 0.29 | 1.18 | 1.61 | 1.60 | 0.69 | 4.23 | 0.53 | 0.46 | 0.34 | 1.38 | 0.26 | 0.59 | 1.78 | 1.97 | 2.48 | 2.08 | 0.25 | 0.39 | 0.45 | 0.17 | 0.37 | 0.29 | 0.79 | 1.02 |
| Glycerophosphocholine | ME406627 | 1.15 | 0.38 | 1.47 | 0.37 | 1.06 | 1.48 | 0.87 | 0.67 | 0.53 | 7.12 | 1.96 | 0.76 | 0.65 | 2.38 | 0.20 | 0.28 | 0.39 | 1.54 | 0.34 | 0.74 | 0.34 | 0.78 | 0.38 | 0.19 | 0.28 | 1.26 | 0.90 | 0.39 |
| Glutathione Disulfide | ME406626 | 0.64 | 0.83 | 0.67 | 0.29 | 0.87 | 0.40 | 1.16 | 1.07 | 0.45 | 3.82 | 0.99 | 0.63 | 0.43 | 1.06 | 0.48 | 0.38 | 0.68 | 2.60 | 0.53 | 1.48 | 0.51 | 1.45 | 0.97 | 0.38 | 0.80 | 2.37 | 1.94 | 0.50 |
| URIDINE-5-MONOPHOSPHATE | ME406748 | 0.77 | NA | 0.14 | 0.13 | 0.17 | 0.18 | 1.62 | 0.62 | 0.18 | 6.16 | 0.25 | 0.84 | 0.05 | 0.32 | 0.68 | 0.52 | 0.70 | 2.04 | 0.75 | 1.47 | 0.60 | 0.74 | 1.24 | 0.42 | 0.51 | 2.97 | 1.73 | 1.09 |
| METHYL BETA-D-GALACTOSIDE | ME406681 | 0.29 | 0.49 | 0.17 | 0.57 | 0.36 | 0.38 | 0.25 | 0.49 | 0.45 | 0.10 | 1.93 | 0.25 | 0.16 | 0.52 | 0.60 | 4.91 | 0.66 | 2.72 | 2.95 | 3.38 | 0.26 | 1.13 | 1.36 | 0.26 | 0.63 | 1.92 | 0.70 | 0.49 |
| 4-IMIDAZOLEACETIC ACID | ME406574 | 1.21 | 0.42 | 0.46 | 0.32 | 0.61 | 0.29 | 1.18 | 1.08 | 1.09 | 0.95 | 0.76 | 0.56 | 0.56 | 0.46 | 0.89 | 3.62 | 1.13 | 1.06 | 1.03 | 2.88 | 0.70 | 0.49 | 1.31 | 1.13 | 0.88 | 0.78 | 1.56 | 0.72 |
| LL-2,6-DIAMINOHEPTANEDIOATE | ME406660 | 1.38 | 0.40 | 0.70 | 0.45 | 0.57 | 0.37 | 0.58 | 0.63 | 2.63 | 1.06 | 0.43 | 0.54 | 0.62 | 0.69 | 0.77 | 4.09 | 0.80 | 1.10 | 0.94 | 4.29 | 0.87 | 0.55 | 0.81 | 0.64 | 0.64 | 0.74 | 0.82 | 0.54 |
| 6-DEOXY-HEXOSE | ME406586 | 0.22 | 0.13 | 0.06 | 0.29 | 0.16 | 0.09 | 0.29 | 0.20 | 0.09 | 0.06 | 0.22 | 0.31 | 0.15 | 0.14 | 2.27 | 0.86 | 2.08 | 1.40 | 0.71 | 1.97 | 2.04 | 1.14 | 2.15 | 2.57 | 2.63 | 2.15 | 1.62 | 1.54 |
| 3-METHYL-2-OXINDOLE | ME406568 | 1.35 | 1.43 | 1.23 | 0.43 | 0.23 | 0.75 | 0.32 | 1.51 | 1.25 | 1.10 | 0.43 | 0.84 | 0.77 | 1.19 | 0.62 | 0.99 | 0.22 | 0.96 | 0.70 | 1.35 | 0.98 | 0.25 | 1.13 | 4.65 | 0.95 | 0.97 | 1.15 | 0.25 |
| 6-Quinolincarboxylic Acid | ME406587 | 2.92 | 0.06 | 0.05 | 1.44 | 0.08 | 0.09 | 1.20 | 0.90 | 0.05 | 0.31 | 2.32 | 1.23 | 0.22 | 0.11 | 0.66 | 1.32 | 0.32 | 2.00 | 0.49 | 1.23 | 0.93 | 2.08 | 1.32 | 3.15 | 0.05 | 0.63 | 1.41 | 0.88 |
| METHYL INDOLE-3-ACETATE | ME406682 | 1.49 | 0.13 | 0.01 | 0.67 | 0.13 | 0.04 | 0.51 | 0.71 | 0.06 | 0.18 | 0.95 | 0.28 | 0.29 | 0.09 | 0.09 | 1.35 | 0.87 | 1.49 | 1.82 | 1.60 | 1.52 | 0.87 | 2.10 | 5.63 | 0.04 | 0.06 | 2.01 | 2.63 |
| 2^-DEOXYURIDINE 5^-MONO-PHOS-PHATE | ME406563 | 0.15 | 3.54 | 0.38 | 0.03 | 4.90 | 0.46 | 0.07 | 0.03 | 0.07 | 0.11 | 0.05 | 3.92 | 0.03 | 0.22 | NA | NA | NA | 0.04 | NA | NA | NA | 0.03 | NA | NA | NA | 0.05 | NA | NA |
| BETAINE | ME406596 | 0.40 | 1.20 | 0.81 | 1.09 | 3.75 | 0.86 | 0.66 | 0.67 | 0.62 | 0.83 | 1.17 | 2.51 | 0.63 | 0.81 | 0.76 | 0.63 | 0.58 | 0.79 | 0.83 | 0.63 | 0.70 | 0.71 | 0.67 | 0.82 | 0.82 | 0.70 | 0.87 | 1.30 |
| Decanoylcarnitine | ME406616 | 1.39 | 2.07 | 0.36 | 0.68 | 4.95 | 0.84 | 0.46 | 0.45 | 0.54 | 0.90 | 0.94 | 3.01 | 0.79 | 0.48 | 0.84 | 0.34 | 0.45 | 0.31 | 1.02 | 0.83 | 0.58 | 0.31 | 0.46 | 0.74 | 0.41 | 1.05 | 0.84 | 0.46 |
| Octanoylcarnitine | ME406706 | 1.28 | 2.18 | 0.41 | 0.68 | 4.09 | 0.89 | 0.51 | 0.36 | 0.52 | 0.93 | 1.12 | 3.32 | 0.88 | 0.79 | 0.72 | 0.26 | 0.30 | 0.50 | 1.26 | 0.73 | 0.44 | 0.52 | 0.43 | 0.45 | 0.36 | 1.07 | 0.91 | 0.37 |
| LysoPE (18:0)_R2 | ME406676 | 0.59 | 0.19 | 0.62 | 0.68 | 0.41 | 0.71 | 0.62 | 1.60 | 1.20 | 1.11 | 0.70 | 1.45 | 0.71 | 0.76 | 0.20 | 0.46 | 0.39 | 4.55 | 0.64 | 4.09 | 0.20 | 0.19 | 0.71 | 0.84 | 0.60 | 0.98 | 2.04 | 0.62 |
| Pantothenic Acid | ME406710 | 0.34 | 0.32 | 0.69 | 0.53 | 0.41 | 0.38 | 0.81 | 2.42 | 0.45 | 0.77 | 0.67 | 0.62 | 0.39 | 0.48 | 0.66 | 0.27 | 1.35 | 4.48 | 0.84 | 0.71 | 2.22 | 2.36 | 0.94 | 0.30 | 0.35 | 1.71 | 1.73 | 1.23 |
| NICOTINAMIDE;NIACINAMIDE | ME406702 | 0.30 | 0.98 | 0.33 | 1.73 | 0.22 | 0.50 | 0.51 | 0.67 | 0.22 | 1.78 | 0.65 | 0.63 | 0.11 | 1.36 | 1.22 | 0.24 | 0.98 | 2.10 | 1.92 | 0.38 | 4.24 | 0.35 | 1.15 | 0.64 | 0.11 | 0.41 | 3.98 | 0.53 |
| PHOSPHOCHOLINE | ME406712 | 0.56 | 0.60 | 0.78 | 1.53 | 0.34 | 0.22 | 1.77 | 0.46 | 0.52 | 0.45 | 0.25 | 1.04 | 0.65 | 0.62 | 1.38 | 0.52 | 1.78 | 1.83 | 1.88 | 0.59 | 2.08 | 0.53 | 0.68 | 1.86 | 0.72 | 0.20 | 2.58 | 1.87 |
| N-ACETYL-L-ASPARTIC ACID_R2 | ME406691 | 1.15 | 1.81 | 0.64 | 1.23 | 1.74 | 1.62 | 0.55 | 0.43 | 1.02 | 0.51 | 0.35 | 1.04 | 0.37 | 2.43 | 4.25 | 0.46 | 0.89 | 0.57 | 0.46 | 0.62 | 2.62 | 0.32 | 0.44 | 0.38 | 0.49 | 0.89 | 0.67 | 0.53 |
| Kynurenic Acid | ME406647 | 4.40 | 3.43 | 0.61 | 0.71 | 0.19 | 0.24 | 0.75 | 0.40 | 0.81 | 0.46 | 1.44 | 0.54 | 0.31 | 0.54 | 0.49 | 0.60 | 0.15 | 0.31 | 0.24 | 0.46 | 0.84 | 1.99 | 1.76 | 1.98 | 0.61 | 2.41 | 0.88 | 0.11 |
| 2,4-DIHYDROXYPYRIMIDINE-5-CARBOXYLIC ACID | ME406560 | 4.25 | 0.74 | 0.76 | 0.37 | 0.27 | 0.79 | 0.53 | 1.16 | 1.14 | 1.54 | 1.14 | 0.65 | 1.52 | 0.63 | 0.74 | 1.88 | 0.57 | 1.30 | 1.02 | 1.12 | 0.54 | 0.49 | 1.34 | 0.84 | 0.55 | 0.96 | 0.70 | 0.46 |
| 4-HYDROXYBENZOATE | ME406573 | 4.65 | 0.54 | 0.45 | 0.19 | 0.15 | 0.08 | 0.74 | 0.34 | 0.31 | 0.94 | 0.82 | 0.66 | 0.55 | 0.76 | 0.36 | 1.07 | 0.99 | 1.27 | 1.14 | 0.74 | 0.57 | 0.97 | 3.36 | 0.86 | 1.03 | 0.37 | 1.47 | 0.55 |
| Homocystine | ME406639 | 1.92 | 0.50 | 0.87 | 0.81 | 0.42 | 0.18 | 1.27 | 1.10 | 0.76 | 3.55 | 0.86 | 0.98 | 2.00 | 1.12 | 0.21 | 1.85 | 0.87 | 1.05 | 0.46 | 2.81 | 0.87 | 0.45 | 0.73 | 0.81 | 0.84 | 0.39 | 0.16 | 0.45 |
| Xanthurenic Acid | ME406750 | 2.63 | 1.42 | 0.34 | 0.27 | 0.44 | 0.34 | 0.99 | 0.33 | 0.78 | 3.21 | 0.93 | 0.86 | 0.97 | 0.28 | 0.47 | 0.80 | 0.18 | 0.28 | 0.37 | 4.92 | 0.40 | 0.35 | 1.61 | 0.89 | 0.52 | 1.77 | 0.99 | 0.20 |
| THIOPURINE S-METHYLETHER | ME406740 | 0.79 | 0.38 | 2.04 | 2.44 | 0.75 | 0.84 | 0.33 | NA | 0.74 | 0.77 | 0.41 | 0.37 | 1.27 | NA | 1.08 | 0.88 | NA | 0.49 | 0.54 | 1.46 | 0.92 | 2.34 | 2.74 | 0.53 | 0.25 | 0.30 | NA | 0.23 |
| CREATINE | ME406610 | 0.67 | 1.97 | 0.57 | 2.20 | 1.55 | 1.57 | 0.82 | 0.51 | 0.53 | 1.55 | 0.60 | 3.02 | 0.58 | 2.13 | 0.29 | 0.31 | 0.25 | 1.07 | 0.51 | 0.28 | 0.56 | 0.46 | 0.34 | 0.18 | 0.11 | 3.29 | 0.55 | 0.18 |
| LysoPC (18:1) | ME406673 | 1.15 | 0.17 | 0.87 | 0.66 | 0.50 | 0.77 | 0.72 | 4.88 | 2.48 | 1.06 | 1.24 | 0.34 | 1.02 | 1.27 | 0.23 | 1.70 | 0.39 | 0.60 | 0.44 | 0.91 | 0.24 | 0.18 | 1.12 | 1.51 | 1.06 | 1.28 | 0.36 | 1.37 |
| LysoPE (18:1) | ME406677 | 1.34 | 0.19 | 0.95 | 0.44 | 0.78 | 1.51 | 0.69 | 5.61 | 1.96 | 1.26 | 1.16 | 0.44 | 0.81 | 1.04 | 0.30 | 1.10 | 0.53 | 0.58 | 0.39 | 1.24 | 0.46 | 0.23 | 0.78 | 1.08 | 1.01 | 1.26 | 0.46 | 1.20 |
| Dodecanoylcarnitine | ME406620 | 1.09 | 1.38 | 0.53 | 1.03 | 2.28 | 1.57 | 0.48 | 0.90 | 1.78 | 1.19 | 1.40 | 1.45 | 1.09 | 0.87 | 0.51 | 0.54 | 0.52 | 0.34 | 0.47 | 1.33 | 0.47 | 0.22 | 0.97 | 1.15 | 0.69 | 1.64 | 0.52 | 1.17 |
| Myristoylcarnitine | ME406683 | 1.37 | 1.06 | 0.80 | 1.00 | 1.73 | 1.89 | 0.55 | 1.43 | 2.27 | 1.40 | 1.59 | 0.97 | 0.81 | 1.46 | 0.39 | 0.45 | 0.31 | 0.53 | 0.37 | 0.66 | 0.33 | 0.24 | 0.87 | 1.40 | 0.50 | 1.91 | 0.31 | 1.57 |
| LysoPC (16:1) | ME406671 | 1.26 | 0.24 | 0.81 | 0.78 | 1.05 | 1.00 | 0.79 | 2.26 | 2.91 | 1.21 | 0.81 | 0.96 | 1.21 | 0.89 | 0.41 | 0.97 | 0.29 | 0.43 | 0.60 | 0.96 | 0.33 | 0.18 | 0.81 | 0.91 | 0.63 | 3.16 | 0.28 | 2.06 |
| LysoPE (20:4) | ME406678 | 1.29 | 0.30 | 1.26 | 0.54 | 0.96 | 2.21 | 0.80 | 3.58 | 2.44 | 1.58 | 1.08 | 0.41 | 1.00 | 1.28 | 0.49 | 0.51 | 0.42 | 1.02 | 0.45 | 0.64 | 0.48 | 0.32 | 0.75 | 1.09 | 0.87 | 1.54 | 0.33 | 1.21 |
| LysoPC (18:0) | ME406672 | 0.71 | 0.37 | 0.83 | 1.34 | 0.63 | 1.25 | 0.89 | 2.52 | 2.65 | 1.87 | 2.09 | 0.35 | 1.64 | 1.78 | 0.26 | 1.07 | 0.43 | 0.82 | 0.68 | 0.67 | 0.19 | 0.27 | 0.79 | 1.29 | 0.94 | 1.44 | 0.26 | 0.83 |
| LysoPC (16:0) | ME406670 | 1.08 | 0.18 | 0.99 | 1.06 | 0.52 | 0.96 | 0.95 | 2.78 | 2.73 | 1.43 | 1.32 | 0.29 | 1.22 | 1.65 | 0.29 | 1.00 | 0.53 | 0.71 | 0.74 | 0.65 | 0.26 | 0.23 | 1.32 | 1.47 | 1.12 | 1.53 | 0.33 | 1.07 |
| LysoPE (18:0)_R1 | ME406675 | 0.99 | 0.43 | 1.11 | 1.17 | 0.93 | 1.28 | 0.96 | 2.34 | 2.06 | 1.90 | 1.32 | 0.37 | 1.32 | 1.30 | 0.41 | 0.78 | 0.67 | 0.72 | 0.98 | 0.66 | 0.36 | 0.34 | 1.04 | 1.39 | 0.92 | 1.61 | 0.31 | 0.90 |
| N-Methylnicotinamide | ME406704 | 0.25 | 1.00 | 0.95 | 0.49 | 0.06 | 1.07 | 0.54 | 1.33 | 0.33 | 3.61 | 1.33 | 0.28 | 0.45 | 0.71 | 0.99 | 1.35 | 1.44 | 1.36 | 1.68 | 0.56 | 1.19 | 0.93 | 1.86 | 1.16 | 0.75 | 0.36 | 1.15 | 0.65 |
| N-ALPHA-ACETYL-L-LYSINE | ME406694 | 1.56 | 1.04 | 1.98 | 1.42 | 0.49 | 0.84 | 0.99 | 0.72 | 0.77 | 1.58 | 1.49 | 2.17 | 0.53 | 1.46 | 0.40 | 0.81 | 0.33 | 3.14 | 0.53 | 1.10 | 0.32 | 0.85 | 0.42 | 0.29 | 0.18 | 1.33 | 0.39 | 0.26 |
| L-CYSTEINE | ME406653 | 1.17 | 0.62 | 0.76 | 0.75 | 0.84 | 1.45 | 0.26 | 1.04 | 1.07 | 0.74 | 0.78 | 0.55 | 1.10 | 1.13 | 0.66 | 0.71 | 1.06 | 3.13 | 1.15 | 1.10 | 1.11 | 1.79 | 0.78 | 0.91 | 1.07 | 1.91 | 0.51 | 0.50 |
| N-formyl-L-methionine | ME406701 | 0.74 | 1.13 | 1.31 | 0.69 | 0.50 | 0.63 | 0.47 | 0.65 | 0.47 | 1.00 | 1.56 | 0.97 | 0.44 | 1.22 | 0.62 | 0.50 | 0.38 | 2.81 | 0.28 | 1.38 | 0.55 | 1.68 | 0.87 | 0.72 | 1.72 | 4.07 | 0.45 | 0.34 |
| 5-HYDROXYINDOLEACETATE | ME406578 | 1.16 | 1.00 | 0.85 | 0.37 | 0.98 | 0.57 | 0.57 | 0.78 | 0.41 | 1.54 | 2.47 | 1.31 | 0.52 | 1.85 | 0.46 | 0.30 | 0.39 | 2.94 | 0.37 | 0.60 | 1.67 | 1.44 | 0.63 | 0.48 | 0.79 | 2.72 | 0.45 | 0.43 |
| GUANINE_R1 | ME406634 | 0.45 | 1.29 | 0.54 | 0.85 | 0.49 | 0.55 | 0.89 | 1.02 | 0.42 | 1.49 | 2.34 | 0.65 | 0.54 | 1.15 | 0.39 | 0.87 | 0.96 | 3.18 | 0.65 | 0.85 | 0.46 | 1.71 | 0.84 | 1.07 | 0.96 | 2.50 | 0.49 | 0.93 |
| L-METHIONINE | ME406665 | 0.46 | 1.30 | 0.55 | 0.85 | 0.48 | 0.56 | 0.92 | 1.01 | 0.44 | 1.42 | 2.35 | 0.65 | 0.55 | 1.16 | 0.40 | 0.88 | 0.93 | 3.08 | 0.65 | 0.84 | 0.47 | 1.70 | 0.85 | 1.09 | 0.96 | 2.49 | 0.49 | 0.96 |
| 2-hydroxyglutarate-water | ME406566 | 1.00 | 0.73 | 0.40 | 1.17 | 0.34 | 0.55 | 0.80 | 1.36 | 0.76 | 1.22 | 2.20 | 0.47 | 0.56 | 1.95 | 0.75 | 2.37 | 0.25 | 1.27 | 0.42 | 2.09 | 1.90 | 0.53 | 0.42 | 1.63 | 2.60 | 0.20 | 0.66 | 0.50 |
| ALANINE/SARCOSINE | ME406588 | 0.91 | 0.80 | 0.94 | 0.96 | 0.66 | 0.78 | 0.86 | 1.84 | 1.09 | 1.13 | 2.92 | 0.64 | 0.93 | 1.43 | 0.72 | 0.66 | 0.97 | 0.88 | 0.88 | 0.80 | 0.80 | 1.26 | 0.85 | 0.93 | 1.33 | 0.89 | 0.79 | 0.87 |
| THIAMINE | ME406739 | 0.59 | 1.25 | 0.97 | 1.57 | 0.61 | 0.56 | 0.35 | 2.51 | 0.80 | 0.72 | 2.58 | 0.36 | 0.56 | 3.33 | 0.30 | 0.70 | 0.77 | 1.75 | 0.99 | 0.82 | 0.32 | 1.08 | 0.98 | 0.74 | 1.79 | 0.44 | 0.67 | 0.56 |
| Isovalerylcarnitine;Valerylcarnitine | ME406646 | 1.47 | 0.51 | 0.75 | 1.08 | 0.31 | 2.76 | 1.15 | 0.61 | 0.54 | 1.06 | 1.11 | 0.37 | 0.66 | 1.61 | 0.67 | 0.18 | 1.81 | 1.43 | 0.77 | 1.10 | 0.46 | 0.54 | 1.07 | 0.95 | 0.55 | 1.81 | 2.56 | 0.67 |
| 5-AMINOLEVULINIC ACID | ME406576 | 0.81 | 1.20 | 0.52 | 0.71 | 1.43 | 0.49 | 1.69 | 0.98 | 0.43 | 1.22 | 0.79 | 3.38 | 0.58 | 0.65 | 0.39 | 0.84 | 0.86 | 0.97 | 1.11 | 0.69 | 0.33 | 0.91 | 0.91 | 0.66 | 0.42 | 0.52 | 1.19 | 1.03 |
| 2-hydroxyglutarate+Na | ME406565 | 1.05 | 1.07 | 0.56 | 0.53 | 1.04 | 0.98 | 0.69 | 2.18 | 0.71 | 2.05 | 0.56 | 1.60 | 0.84 | 0.64 | 1.28 | 1.01 | 0.47 | 0.61 | 0.61 | 1.05 | 3.01 | 0.65 | 0.69 | 0.86 | 0.71 | 0.73 | 0.85 | 0.69 |
| 5,6-DIHYDROURACIL | ME406575 | 1.61 | 0.53 | 0.61 | 0.56 | 0.67 | 0.94 | 0.83 | 0.76 | 0.54 | 0.62 | 1.79 | 0.69 | 0.81 | 1.74 | 0.96 | 0.84 | 0.98 | 0.66 | 0.74 | 0.85 | 1.37 | 0.68 | 1.52 | 0.82 | 0.93 | 0.68 | 1.03 | 3.02 |
| 4-GUANIDINOBUTANOATE | ME406572 | 1.99 | 0.52 | 0.61 | 0.44 | 0.85 | 0.40 | 1.73 | 0.67 | 1.96 | 1.66 | 0.51 | 0.95 | 1.62 | 0.78 | 1.02 | 1.54 | 1.14 | 0.66 | 1.07 | 1.65 | 1.25 | 0.42 | 0.57 | 0.30 | 0.47 | 2.19 | 0.80 | 0.72 |
| CARNOSINE | ME406601 | 2.49 | 0.41 | 1.31 | 0.15 | 1.34 | 0.90 | 0.76 | 1.06 | 1.22 | 2.36 | 1.25 | 1.05 | 0.87 | 1.31 | 1.00 | 0.77 | 0.77 | 1.20 | 0.63 | 0.87 | 0.82 | 1.26 | 0.86 | 0.76 | 0.95 | 0.75 | 0.59 | 0.35 |
| N-ACETYL-DL-GLUTAMIC ACID | ME406688 | 3.07 | 1.31 | 1.57 | 0.40 | 0.84 | 0.73 | 0.67 | 0.77 | 0.69 | 2.27 | 1.09 | 2.65 | 0.42 | 1.61 | 0.53 | 0.48 | 0.58 | 1.17 | 0.59 | 0.91 | 0.54 | 0.59 | 0.62 | 0.41 | 0.45 | 0.55 | 0.68 | 0.53 |
| SPERMIDINE | ME406723 | 0.81 | 0.83 | 1.25 | 0.46 | 1.57 | 0.74 | 0.85 | 1.29 | 0.44 | 2.36 | 0.67 | 1.07 | 0.66 | 2.02 | 0.73 | 0.54 | 0.71 | 2.07 | 0.62 | 0.86 | 0.35 | 1.39 | 0.77 | 0.35 | 0.64 | 2.42 | 0.82 | 0.87 |
| Glycyl-L-leucine | ME406632 | 1.24 | 0.66 | 1.02 | 0.64 | 0.84 | 1.05 | 1.21 | 1.15 | 0.66 | 2.66 | 1.24 | 1.07 | 0.68 | 1.49 | 0.42 | 0.76 | 0.90 | 1.88 | 0.81 | 1.09 | 0.63 | 1.00 | 0.88 | 0.53 | 0.60 | 0.74 | 1.28 | 0.88 |
| Proprionylcarnitine | ME406714 | 1.54 | 0.95 | 0.50 | 1.08 | 0.92 | 2.51 | 1.04 | 1.31 | 0.76 | 2.39 | 1.46 | 0.97 | 0.45 | 1.98 | 0.36 | 0.24 | 0.61 | 1.97 | 0.54 | 1.30 | 0.32 | 0.64 | 0.59 | 0.28 | 0.43 | 1.45 | 0.94 | 0.90 |
| TAURINE_R2 | ME406726 | 0.06 | 2.02 | 1.33 | 0.73 | 1.76 | 1.71 | 1.11 | 0.70 | 0.85 | 3.28 | 1.53 | 1.62 | 0.69 | 1.76 | 0.04 | 0.03 | 0.03 | 1.52 | 0.61 | 1.06 | 0.69 | 1.09 | 0.47 | 0.04 | 0.61 | 1.70 | 0.04 | 0.84 |
| ALDO/KETO-HEXOSE_R2 | ME406590 | 1.13 | 2.02 | 1.50 | 0.74 | 2.75 | 1.57 | 0.93 | 1.23 | 0.98 | 1.87 | 2.34 | 0.84 | 1.00 | 2.05 | 0.50 | 0.46 | 0.39 | 0.38 | 0.28 | 1.22 | 0.37 | 0.62 | 0.51 | 0.80 | 1.11 | 0.31 | 0.31 | 0.46 |
| L-(+)-Lactic Acid | ME406648 | 1.55 | 2.31 | 1.44 | 0.57 | 2.48 | 1.55 | 1.07 | 1.10 | 1.06 | 2.49 | 1.53 | 1.30 | 1.11 | 1.64 | 0.56 | 0.48 | 0.49 | 0.54 | 0.36 | 0.55 | 0.41 | 0.61 | 0.55 | 0.53 | 0.52 | 0.56 | 0.42 | 0.38 |
| 5-Hydroxymethyl-2-furaldehyde | ME406581 | 1.58 | 2.21 | 1.53 | 0.67 | 2.43 | 1.76 | 0.96 | 1.18 | 1.05 | 2.33 | 1.64 | 1.31 | 1.06 | 1.83 | 0.51 | 0.48 | 0.39 | 0.56 | 0.34 | 0.51 | 0.45 | 0.59 | 0.47 | 0.47 | 0.51 | 0.56 | 0.40 | 0.42 |
| ERYTHRITOL | ME406622 | 1.43 | 2.22 | 1.55 | 0.68 | 2.52 | 1.77 | 0.93 | 1.15 | 1.06 | 2.35 | 1.62 | 1.34 | 1.10 | 1.81 | 0.52 | 0.47 | 0.38 | 0.56 | 0.34 | 0.47 | 0.46 | 0.60 | 0.47 | 0.48 | 0.53 | 0.56 | 0.39 | 0.41 |
| ALDO/KETO-HEXOSE_R1 | ME406589 | 1.35 | 1.94 | 1.55 | 0.79 | 2.21 | 1.50 | 0.98 | 1.17 | 1.17 | 1.80 | 1.77 | 1.44 | 1.10 | 1.61 | 0.57 | 0.48 | 0.45 | 0.70 | 0.44 | 0.53 | 0.53 | 0.69 | 0.50 | 0.55 | 0.68 | 0.67 | 0.47 | 0.41 |
| GLUCOSAMINE/MANNOSAMINE | ME406625 | 0.85 | 1.95 | 1.63 | 0.77 | 2.42 | 1.77 | 0.86 | 1.14 | 1.10 | 1.94 | 1.52 | 1.48 | 1.17 | 1.72 | 0.64 | 0.52 | 0.43 | 0.62 | 0.40 | 0.41 | 0.55 | 0.73 | 0.54 | 0.59 | 0.59 | 0.67 | 0.47 | 0.52 |
| N-METHYL-D-ASPARTIC ACID;O-ACETYL-L-SERINE;L-GLUTAMIC ACID;O-Acetyl-L-Serine | ME406703 | 1.49 | 1.64 | 1.03 | 0.53 | 2.08 | 1.36 | 1.21 | 0.80 | 1.38 | 1.96 | 1.54 | 1.03 | 0.59 | 2.74 | 0.50 | 0.44 | 0.60 | 0.82 | 0.99 | 0.43 | 0.55 | 0.99 | 0.54 | 0.28 | 0.37 | 1.16 | 0.65 | 0.72 |
| TAURINE_R1 | ME406725 | 0.75 | 1.66 | 1.10 | 0.60 | 1.46 | 1.44 | 0.92 | 0.59 | 0.69 | 2.64 | 1.28 | 1.76 | 0.58 | 1.47 | 0.55 | 0.67 | 0.72 | 1.26 | 0.50 | 0.88 | 0.55 | 0.90 | 0.64 | 0.41 | 0.52 | 1.44 | 0.94 | 0.70 |
| URACIL;Uracil | ME406745 | 1.07 | 1.77 | 1.64 | 0.60 | 2.31 | 0.92 | 0.65 | 1.05 | 0.97 | 1.31 | 2.00 | 1.19 | 0.66 | 1.69 | 0.56 | 0.63 | 0.36 | 1.08 | 0.46 | 0.93 | 0.66 | 1.02 | 0.69 | 0.68 | 0.48 | 1.37 | 0.61 | 0.76 |
| HYPOXANTHINE | ME406641 | 0.70 | 1.59 | 0.97 | 0.34 | 2.40 | 1.46 | 0.89 | 1.03 | 0.77 | 1.29 | 1.63 | 1.00 | 0.26 | 1.61 | 0.75 | 0.67 | 0.50 | 1.34 | 0.65 | 0.97 | 0.64 | 1.43 | 0.70 | 0.46 | 0.58 | 1.91 | 0.81 | 0.96 |
| GUANOSINE | ME406636 | 0.67 | 1.43 | 1.35 | 0.54 | 2.24 | 1.40 | 0.62 | 1.12 | 1.12 | 1.56 | 1.24 | 1.32 | 0.50 | 1.98 | 0.71 | 0.71 | 0.43 | 1.29 | 0.93 | 0.93 | 0.60 | 1.00 | 0.48 | 0.64 | 0.78 | 1.28 | 0.41 | 0.95 |
| ETHYLMALONIC ACID | ME406623 | 0.92 | 1.36 | 1.25 | 0.80 | 1.48 | 1.35 | 0.75 | 1.10 | 0.91 | 1.45 | 1.29 | 1.20 | 0.60 | 1.76 | 0.70 | 0.95 | 0.47 | 1.31 | 0.64 | 1.16 | 0.69 | 1.16 | 0.63 | 0.63 | 0.64 | 1.36 | 0.62 | 1.00 |
| Allopurinol | ME406592 | 0.79 | 1.47 | 1.25 | 0.64 | 1.79 | 1.40 | 0.71 | 1.15 | 0.99 | 1.72 | 1.23 | 1.23 | 0.52 | 2.01 | 0.66 | 0.74 | 0.44 | 1.44 | 0.67 | 1.13 | 0.55 | 1.15 | 0.52 | 0.57 | 0.60 | 1.40 | 0.50 | 0.99 |
| INOSINE | ME406642 | 0.80 | 1.44 | 1.26 | 0.63 | 1.80 | 1.48 | 0.70 | 1.17 | 1.01 | 1.79 | 1.19 | 1.24 | 0.51 | 1.97 | 0.65 | 0.73 | 0.45 | 1.43 | 0.67 | 1.10 | 0.55 | 1.15 | 0.51 | 0.59 | 0.60 | 1.40 | 0.51 | 0.94 |
| L-HOMOCYSTEINE THIOLACTONE | ME406657 | 0.61 | 2.61 | 1.16 | 0.84 | 0.37 | 1.88 | 1.15 | 0.51 | 0.93 | 1.20 | 0.46 | 2.17 | 0.78 | 1.49 | NA | 0.87 | 0.66 | 0.84 | 0.88 | 0.79 | 0.81 | 0.86 | 0.27 | 1.20 | 0.75 | 0.59 | 0.58 | 1.31 |
| 4-AMINOBUTANOATE (GABA);2-AMINO-2-METHYLPROPANOATE;3-AMINOISOBUTANOATE | ME406571 | 1.17 | 2.38 | 1.01 | 0.79 | 1.25 | 2.23 | 1.10 | 0.83 | 0.63 | 2.55 | 1.21 | 2.09 | 0.86 | 0.86 | 0.36 | 0.39 | 0.57 | 0.68 | 1.10 | 0.69 | 0.50 | 0.81 | 0.46 | 0.67 | 0.42 | 1.10 | 0.36 | 0.39 |
| L-LYSINE | ME406664 | 0.70 | 1.38 | 1.13 | 0.76 | 0.58 | 0.91 | 1.25 | 1.01 | 0.66 | 2.24 | 1.41 | 2.23 | 0.87 | 1.52 | 0.31 | 1.11 | 0.69 | 0.96 | 1.00 | 1.20 | 0.67 | 0.72 | 0.61 | 0.75 | 0.24 | 0.93 | 0.62 | 0.71 |
| PYRIDOXAMINE | ME406717 | 0.70 | 1.20 | 1.20 | 0.91 | 0.68 | 1.00 | 1.18 | 0.96 | 0.80 | 1.64 | 1.20 | 1.80 | 1.02 | 1.32 | 0.51 | 1.11 | 0.78 | 0.98 | 1.18 | 1.11 | 0.85 | 0.85 | 0.77 | 0.87 | 0.39 | 0.87 | 0.70 | 0.83 |
| THREONINE/HOMOSERINE | ME406741 | 0.82 | 1.68 | 0.68 | 0.55 | 1.20 | 1.08 | 1.93 | 1.38 | 0.66 | 2.10 | 1.79 | 1.21 | 0.75 | 1.08 | 0.39 | 1.09 | 0.80 | 1.29 | 1.14 | 0.73 | 0.69 | 0.87 | 0.77 | 0.84 | 0.51 | 0.73 | 0.79 | 0.48 |
| L-Isoleucine | ME406658 | 1.18 | 2.66 | 0.85 | 0.67 | 0.96 | 1.34 | 1.23 | 1.05 | 1.09 | 1.67 | 1.19 | 1.39 | 0.75 | 1.53 | 0.39 | 0.62 | 0.79 | 0.97 | 0.95 | 0.78 | 0.53 | 1.05 | 0.62 | 1.10 | 0.49 | 0.77 | 0.78 | 0.58 |
| L-LEUCINE | ME406661 | 1.07 | 1.92 | 0.91 | 0.82 | 0.88 | 1.27 | 1.25 | 0.94 | 1.14 | 1.43 | 1.17 | 1.31 | 0.84 | 1.32 | 0.45 | 0.64 | 1.13 | 0.97 | 1.14 | 0.76 | 0.53 | 1.03 | 0.70 | 1.10 | 0.72 | 0.79 | 0.89 | 0.86 |
| URATE | ME406746 | 0.90 | 1.13 | 0.56 | 0.44 | 1.15 | 0.75 | 0.94 | 0.58 | 0.48 | 0.72 | 0.73 | 1.51 | 0.73 | 0.67 | 1.03 | 0.75 | 0.76 | 0.51 | 0.78 | 1.20 | 1.37 | 1.25 | 1.07 | 0.64 | 0.84 | 2.79 | 0.79 | 2.37 |
| L-ANSERINE | ME406649 | 1.80 | 0.80 | 0.94 | 0.62 | 2.91 | 1.12 | 0.57 | 0.69 | 0.77 | 0.90 | 0.82 | 1.58 | 0.63 | 0.78 | 1.08 | 1.02 | 0.65 | 0.95 | 0.91 | 0.83 | 0.97 | 1.14 | 0.84 | 0.96 | 1.14 | 0.99 | 0.53 | 0.62 |
| L-Cystine | ME406654 | 1.44 | 0.54 | 0.45 | 0.65 | 2.49 | 0.57 | 0.44 | 0.72 | 0.41 | 1.24 | 0.72 | 2.12 | 0.96 | 0.64 | 0.96 | 1.27 | 0.78 | 1.09 | 0.83 | 1.44 | 1.52 | 0.76 | 0.78 | 0.50 | 1.01 | 1.53 | 0.91 | 0.32 |
| Citrate+NH3 | ME406608 | 2.09 | 0.89 | 1.28 | 0.45 | 1.19 | 0.82 | 0.62 | 0.67 | 0.52 | 1.25 | 1.01 | 0.58 | 0.68 | 0.92 | 1.58 | 0.70 | 0.63 | 1.80 | 0.64 | 1.10 | 1.93 | 1.25 | 0.83 | 0.65 | 1.18 | 2.11 | 0.71 | 0.52 |
| Citrate source fragment (+H and + NH3) | ME406605 | 2.53 | 0.90 | 1.29 | 0.46 | 1.15 | 0.77 | 0.66 | 0.64 | 0.48 | 1.23 | 1.01 | 0.55 | 0.72 | 0.78 | 1.57 | 0.62 | 0.62 | 1.59 | 0.59 | 1.45 | 2.05 | 1.26 | 0.85 | 0.63 | 1.05 | 1.93 | 0.68 | 0.56 |
| Citrate+Na;CITRATE | ME406607 | 2.45 | 0.89 | 1.26 | 0.45 | 1.14 | 0.76 | 0.62 | 0.64 | 0.47 | 1.24 | 1.00 | 0.56 | 0.65 | 0.87 | 1.55 | 0.66 | 0.60 | 1.71 | 0.59 | 1.31 | 2.06 | 1.19 | 0.83 | 0.65 | 1.10 | 2.16 | 0.68 | 0.52 |
| Citrate source fragment (+NH3) | ME406606 | 2.35 | 0.89 | 1.26 | 0.44 | 1.15 | 0.79 | 0.65 | 0.62 | 0.49 | 1.26 | 1.06 | 0.57 | 0.65 | 0.87 | 1.57 | 0.70 | 0.60 | 1.78 | 0.62 | 1.22 | 2.06 | 1.21 | 0.83 | 0.63 | 1.09 | 2.03 | 0.69 | 0.51 |
| ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE;L-2-Aminoadipic Acid | ME406593 | 2.92 | 2.47 | 1.31 | 1.16 | 0.67 | 0.61 | 1.54 | 0.63 | 0.87 | 0.81 | 1.31 | 1.06 | 0.46 | 1.46 | 0.89 | 0.60 | 0.82 | 0.96 | 0.69 | 0.59 | 1.65 | 0.63 | 0.59 | 0.44 | 0.42 | 1.36 | 0.89 | 0.55 |
| D-Ribose;ALDOPENTOSE | ME406621 | 3.32 | 1.46 | 0.84 | 0.75 | 1.22 | 1.34 | 0.62 | 1.04 | 0.75 | 1.19 | 1.39 | 1.14 | 1.11 | 1.69 | 0.61 | 1.23 | 0.53 | 0.73 | 0.49 | 1.09 | 0.53 | 0.79 | 0.66 | 0.56 | 0.78 | 0.70 | 0.72 | 0.92 |
| ASPARTATE | ME406595 | 2.48 | 1.34 | 0.64 | 1.12 | 0.96 | 0.93 | 1.22 | 1.15 | 0.91 | 0.64 | 1.45 | 0.74 | 0.57 | 0.91 | 0.79 | 1.24 | 0.61 | 0.70 | 0.51 | 1.11 | 1.06 | 0.77 | 1.10 | 0.98 | 0.90 | 1.40 | 1.01 | 0.93 |
| N-ACETYL-L-ALANINE | ME406689 | 2.11 | 1.25 | 1.16 | 0.68 | 1.13 | 0.96 | 0.92 | 0.94 | 0.74 | 1.31 | 1.43 | 1.36 | 0.90 | 1.18 | 0.77 | 0.67 | 0.77 | 1.12 | 0.73 | 1.12 | 0.75 | 1.02 | 0.81 | 0.72 | 0.86 | 1.09 | 0.83 | 0.50 |
| 3-UREIDOPROPIONATE | ME406570 | 2.58 | 1.66 | 1.57 | 0.81 | 1.61 | 0.58 | 0.78 | 0.47 | 0.88 | 1.11 | 0.81 | 1.14 | 0.79 | 0.82 | 0.95 | 0.89 | 0.68 | 0.77 | 0.78 | 1.15 | 0.53 | 1.38 | 0.66 | 0.84 | 0.57 | 1.99 | 0.42 | 0.97 |
| Isobutyrylcarnitine;Butyrylcarnitine | ME406643 | 1.96 | 1.65 | 0.84 | 1.12 | 1.81 | 1.10 | 0.82 | 0.50 | 0.80 | 0.99 | 1.08 | 1.79 | 0.95 | 1.22 | 0.61 | 0.32 | 0.48 | 1.51 | 1.36 | 0.79 | 0.46 | 0.53 | 0.89 | 0.34 | 0.45 | 1.66 | 0.59 | 0.70 |
| GUANIDINOACETATE | ME406633 | 0.25 | 0.62 | 0.76 | 0.71 | 0.35 | 0.68 | 1.15 | 2.24 | 0.63 | 1.78 | 0.83 | 0.43 | 1.41 | 0.76 | 0.58 | 1.55 | 1.30 | 1.61 | 1.63 | 1.02 | 1.18 | 1.11 | 1.19 | 0.55 | 0.55 | 0.63 | 1.25 | 1.64 |
| SEROTONIN | ME406720 | 0.67 | 1.85 | 0.62 | 0.24 | 1.81 | 0.77 | 1.12 | 1.07 | 0.93 | 1.41 | 1.54 | 1.05 | 0.14 | 1.18 | 1.41 | 1.19 | 0.95 | 0.56 | 0.72 | 1.22 | 0.55 | 1.41 | 1.07 | 1.13 | 0.85 | 1.33 | 0.77 | 0.32 |
| SEROTONIN-NH3 | ME406721 | 0.67 | 1.81 | 0.61 | 0.24 | 1.78 | 0.76 | 1.14 | 1.05 | 0.91 | 1.39 | 1.50 | 1.05 | 0.15 | 1.17 | 1.42 | 1.22 | 0.95 | 0.55 | 0.71 | 1.26 | 0.58 | 1.38 | 1.08 | 1.19 | 0.85 | 1.32 | 0.79 | 0.33 |
| N(PAI)-METHYL-L-HISTIDINE | ME406684 | 0.68 | 0.60 | 0.50 | 0.90 | 1.00 | 1.06 | 0.93 | 0.31 | 0.55 | 1.36 | 0.45 | 1.40 | 0.88 | 1.93 | 1.00 | 1.41 | 1.15 | 0.95 | 1.40 | 1.23 | 0.83 | 0.73 | 1.29 | 0.85 | 0.66 | 1.38 | 1.24 | 0.62 |
| UROCANATE | ME406749 | 1.61 | 1.26 | 0.81 | 0.51 | 0.45 | 0.36 | 0.90 | 0.64 | 0.68 | 1.11 | 0.56 | 0.86 | 0.61 | 1.04 | 0.97 | 1.60 | 1.71 | 0.92 | 0.75 | 1.01 | 1.00 | 0.69 | 1.31 | 0.94 | 0.77 | 2.23 | 1.44 | 1.07 |
| ALLANTOIN | ME406591 | 2.05 | 0.64 | 0.95 | 0.63 | 0.51 | 0.61 | 0.72 | 0.72 | 0.74 | 1.06 | 0.62 | 0.60 | 1.10 | 0.82 | 1.51 | 1.21 | 1.28 | 1.24 | 1.06 | 1.44 | 1.79 | 1.07 | 1.14 | 0.85 | 1.04 | 1.31 | 1.01 | 0.56 |
| CREATININE | ME406613 | 2.07 | 0.71 | 0.64 | 0.61 | 0.71 | 0.71 | 0.92 | 0.72 | 0.56 | 1.84 | 0.65 | 0.73 | 0.82 | 0.84 | 0.99 | 1.65 | 1.26 | 1.08 | 1.14 | 1.56 | 1.11 | 0.82 | 1.22 | 1.00 | 0.94 | 0.92 | 1.07 | 0.73 |
| NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | ME406700 | 1.67 | 0.52 | 0.57 | 0.70 | 0.49 | 0.84 | 1.01 | 0.58 | 0.74 | 1.10 | 0.44 | 0.98 | 0.74 | 0.83 | 1.04 | 1.83 | 1.30 | 1.31 | 1.21 | 1.84 | 0.80 | 0.81 | 1.43 | 0.84 | 0.96 | 1.12 | 1.13 | 0.75 |
| CYTIDINE_R1 | ME406614 | 0.75 | 1.09 | 1.07 | 0.79 | 1.45 | 0.99 | 0.72 | 1.28 | 0.51 | 1.26 | 1.28 | 0.72 | 0.68 | 1.15 | 0.84 | 0.69 | 0.50 | 1.54 | 0.53 | 0.94 | 0.85 | 1.65 | 0.81 | 1.51 | 0.68 | 2.04 | 0.92 | 1.24 |
| Isocytosine | ME406645 | 0.84 | 1.12 | 1.09 | 0.75 | 1.31 | 0.97 | 0.75 | 1.27 | 0.49 | 1.20 | 1.35 | 0.74 | 0.64 | 1.19 | 0.77 | 0.74 | 0.46 | 1.46 | 0.47 | 0.97 | 0.93 | 1.64 | 0.84 | 1.54 | 0.62 | 2.03 | 0.94 | 1.29 |
| ORNITHINE_R1 | ME406707 | 1.22 | 1.33 | 0.76 | 0.44 | 0.42 | 0.66 | 1.49 | 1.26 | 0.58 | 1.64 | 0.81 | 1.50 | 0.42 | 1.40 | 0.43 | 0.87 | 1.09 | 0.99 | 1.22 | 1.18 | 0.76 | 1.16 | 0.86 | 0.74 | 0.44 | 2.15 | 0.98 | 0.88 |
| CITRULLINE | ME406609 | 1.26 | 1.37 | 0.81 | 0.63 | 0.62 | 0.91 | 1.22 | 1.64 | 0.90 | 1.23 | 0.86 | 0.52 | 1.00 | 1.48 | 0.79 | 1.05 | 0.92 | 1.58 | 1.32 | 1.10 | 0.61 | 1.59 | 1.08 | 0.94 | 0.61 | 1.09 | 0.66 | 0.63 |
| ORNITHINE_R2 | ME406708 | 1.42 | 1.53 | 0.83 | 0.64 | 0.57 | 0.94 | 1.32 | 1.68 | 0.90 | 1.09 | 1.01 | 0.61 | 0.89 | 1.66 | 0.68 | 0.13 | 0.81 | 1.50 | 1.04 | 1.18 | 0.74 | 1.69 | 1.16 | 0.97 | 0.65 | 1.16 | 0.71 | 0.73 |
| Diphenylamine | ME406618 | 0.90 | 0.83 | 0.97 | 0.71 | 0.80 | 0.51 | 0.96 | 1.87 | 1.70 | 1.17 | 1.25 | 0.66 | 1.11 | 1.09 | 0.64 | 0.99 | 0.71 | 1.23 | 1.07 | 1.19 | 0.95 | 0.56 | 1.05 | 1.04 | 0.68 | 1.56 | 0.79 | 1.31 |
| PIPECOLATE/L-PIPECOLIC ACID | ME406713 | 0.84 | 0.80 | 0.93 | 0.73 | 0.69 | 0.56 | 0.96 | 1.52 | 1.56 | 1.31 | 1.13 | 0.99 | 0.93 | 0.95 | 0.49 | 1.57 | 1.07 | 1.68 | 1.11 | 1.50 | 1.00 | 1.07 | 0.88 | 0.79 | 0.66 | 0.79 | 0.88 | 0.75 |
| N-Acetyl-Arginine | ME406687 | 1.68 | 0.52 | 0.82 | 0.79 | 0.66 | 0.44 | 1.12 | 1.65 | 0.76 | 1.06 | 0.88 | 0.72 | 0.92 | 1.19 | 0.80 | 0.80 | 0.98 | 2.28 | 0.95 | 1.25 | 0.91 | 1.09 | 1.00 | 0.59 | 0.78 | 1.45 | 1.18 | 1.01 |
| Source Fragment TRP | ME406722 | 0.84 | 0.53 | 0.83 | 1.42 | 0.49 | 0.84 | 1.05 | 1.20 | 1.37 | 0.63 | 0.89 | 0.83 | 0.65 | 1.33 | 0.74 | 0.94 | 1.51 | 2.14 | 1.09 | 1.10 | 0.74 | 0.95 | 0.84 | 0.96 | 1.01 | 1.33 | 0.84 | 1.25 |
| Tryptophan | ME406743 | 0.82 | 0.51 | 0.88 | 1.45 | 0.52 | 0.89 | 1.05 | 1.15 | 1.45 | 0.64 | 0.85 | 0.80 | 0.64 | 1.30 | 0.78 | 0.89 | 1.49 | 2.27 | 1.12 | 1.05 | 0.70 | 0.94 | 0.88 | 0.94 | 1.06 | 1.29 | 0.74 | 1.18 |
| 5-METHYLCYTOSINE HYDROCLORIDE | ME406583 | 1.30 | 0.75 | 0.93 | 0.68 | 0.63 | 0.67 | 0.94 | 0.78 | 0.85 | 0.75 | 0.71 | 0.56 | 1.25 | 0.68 | 1.70 | 1.26 | 1.46 | 1.15 | 1.30 | 0.98 | 0.61 | 1.00 | 1.24 | 1.26 | 1.31 | 1.23 | 1.26 | 0.97 |
| N-ACETYL-L-ASPARTIC ACID_R1 | ME406690 | 0.92 | 0.88 | 0.76 | 0.61 | 0.63 | 0.78 | 1.14 | 0.70 | 0.74 | 1.11 | 0.73 | 0.73 | 0.53 | 1.02 | 1.54 | 0.84 | 1.83 | 0.89 | 1.17 | 0.79 | 1.47 | 0.90 | 1.20 | 1.00 | 1.33 | 0.88 | 1.92 | 1.04 |
| 2-Hydroxyphenylalanine;L-TYROSINE | ME406567 | 1.24 | 1.15 | 0.64 | 0.82 | 0.35 | 0.61 | 1.06 | 1.04 | 1.00 | 1.15 | 0.96 | 0.87 | 0.74 | 0.86 | 0.62 | 1.03 | 1.07 | 1.49 | 1.28 | 0.83 | 0.62 | 1.17 | 1.16 | 1.15 | 1.25 | 0.94 | 0.92 | 1.98 |
| L-PROLINE | ME406667 | 1.03 | 0.80 | 0.60 | 0.65 | 0.38 | 0.54 | 1.44 | 1.68 | 0.80 | 1.19 | 1.64 | 0.67 | 0.61 | 1.00 | 0.55 | 0.84 | 1.50 | 1.41 | 1.49 | 0.92 | 0.61 | 1.09 | 1.15 | 0.98 | 1.29 | 0.62 | 1.23 | 1.48 |
| GLYCINE | ME406628 | 1.22 | 0.75 | 0.81 | 0.44 | 0.54 | 0.45 | 0.92 | 1.41 | 0.62 | 1.99 | 0.83 | 0.81 | 0.76 | 0.72 | 0.54 | 1.33 | 1.51 | 1.02 | 1.43 | 0.96 | 0.70 | 0.88 | 1.32 | 1.09 | 1.09 | 0.77 | 1.72 | 1.26 |
| L-ASPARAGINE | ME406651 | 0.86 | 1.69 | 0.70 | 0.55 | 0.75 | 0.75 | 1.58 | 1.21 | 0.61 | 1.32 | 1.23 | 1.16 | 0.60 | 0.97 | 0.47 | 0.97 | 1.57 | 0.83 | 1.38 | 0.82 | 0.64 | 0.89 | 1.02 | 1.12 | 0.63 | 0.73 | 1.28 | 1.50 |
| L-SERINE | ME406668 | 1.12 | 1.23 | 0.69 | 0.71 | 0.62 | 0.91 | 1.51 | 1.29 | 0.77 | 1.25 | 1.12 | 1.01 | 0.79 | 0.90 | 0.59 | 0.94 | 1.25 | 0.99 | 1.29 | 0.69 | 0.56 | 0.61 | 1.30 | 1.06 | 0.86 | 0.67 | 1.46 | 1.51 |
| DEOXYCARNITINE;BUTYROBETAINE | ME406617 | 0.93 | 0.97 | 1.05 | 0.91 | 0.93 | 1.25 | 0.93 | 1.01 | 0.60 | 1.89 | 0.99 | 0.87 | 0.63 | 1.06 | 0.68 | 1.13 | 1.03 | 0.71 | 1.19 | 0.93 | 1.04 | 0.78 | 0.98 | 1.07 | 0.68 | 0.89 | 1.21 | 1.82 |
| Methionine Sulfoxide | ME406680 | 0.87 | 1.25 | 1.07 | 0.84 | 0.91 | 0.79 | 1.39 | 0.92 | 0.81 | 1.88 | 1.19 | 0.86 | 0.96 | 1.17 | 0.61 | 1.08 | 1.37 | 0.50 | 1.12 | 0.98 | 0.66 | 0.98 | 0.99 | 1.15 | 0.80 | 0.32 | 1.07 | 1.60 |
| N-ACETYLSEROTONIN | ME406693 | 1.26 | 1.28 | 1.24 | 0.56 | 1.24 | 0.96 | 1.03 | 0.74 | 0.56 | 1.02 | 1.14 | 0.85 | 1.06 | 0.61 | 1.48 | 0.97 | 0.78 | 0.44 | 0.92 | 0.94 | 1.89 | 1.08 | 1.10 | 1.10 | 0.65 | 0.70 | 1.42 | 1.04 |
| (R)-MALATE | ME406558 | 1.34 | 1.76 | 0.58 | 0.50 | 1.58 | 0.84 | 0.83 | 0.96 | 0.97 | 1.64 | 1.16 | 0.69 | 0.59 | 1.04 | 1.72 | 0.59 | 0.71 | 0.78 | 0.74 | 0.91 | 1.42 | 0.93 | 0.93 | 1.01 | 0.83 | 1.24 | 1.22 | 0.85 |
| 5-HYDROXY-L-TRYPTOPHAN_R1 | ME406579 | 0.94 | 1.33 | 0.76 | 1.57 | 0.96 | 0.50 | 1.22 | 0.73 | 1.20 | 0.81 | 1.27 | 0.84 | 0.65 | 1.15 | 0.59 | 1.02 | 1.21 | 0.84 | 0.78 | 1.12 | 0.61 | 1.13 | 0.95 | 1.93 | 0.82 | 1.00 | 0.92 | 1.34 |
| 5-HYDROXY-L-TRYPTOPHAN_R2 | ME406580 | 1.04 | 0.44 | 0.79 | 1.64 | 1.19 | 0.64 | 1.26 | 0.86 | 1.54 | 0.58 | 0.96 | 0.91 | 0.53 | 1.21 | 0.71 | 0.98 | 1.52 | 0.97 | 1.00 | 1.21 | 0.71 | 1.05 | 1.04 | 0.90 | 0.93 | 1.08 | 1.19 | 1.19 |
| GUANINE_R2 | ME406635 | 1.51 | 1.02 | 1.33 | 0.98 | 0.98 | 0.85 | 0.58 | 0.56 | 0.65 | 1.03 | 0.59 | 1.07 | 1.54 | 0.93 | 0.97 | 0.93 | 0.58 | 1.39 | 0.82 | 1.32 | 1.39 | 0.91 | 1.23 | 1.04 | 1.02 | 1.27 | 0.78 | 0.42 |
| 3-METHYLHISTAMINE | ME406569 | 1.31 | 1.23 | 0.76 | 0.82 | 0.46 | 1.11 | 1.34 | 0.93 | 1.02 | 1.13 | 0.83 | 0.93 | 0.72 | 1.35 | 1.15 | 1.22 | 1.33 | 0.94 | 0.84 | 1.11 | 0.75 | 0.95 | 1.50 | 1.03 | 0.59 | 1.20 | 0.59 | 0.45 |
| PUTRESCINE | ME406715 | 1.06 | 1.53 | 1.11 | 0.58 | 0.95 | 0.60 | 0.88 | 0.94 | 0.78 | 1.04 | 1.07 | 1.54 | 0.86 | 0.85 | 1.29 | 0.71 | 1.06 | 0.99 | 0.89 | 1.15 | 0.97 | 1.07 | 1.39 | 0.56 | 0.93 | 1.53 | 0.38 | 0.36 |
| N-BOC-L-Tryptophan_R1 | ME406698 | 1.30 | 0.99 | 0.79 | 0.69 | 1.50 | 0.60 | 1.10 | 0.88 | 1.00 | 0.97 | 0.62 | 1.34 | 0.72 | 0.59 | 1.32 | 1.00 | 0.94 | 0.57 | 0.95 | 0.88 | 1.31 | 0.60 | 1.12 | 1.61 | 0.79 | 1.12 | 0.93 | 1.31 |
| N-BOC-L-Tryptophan_R2 | ME406699 | 1.26 | 0.99 | 0.69 | 0.66 | 1.63 | 0.49 | 1.03 | 0.75 | 0.89 | 0.92 | 0.57 | 1.48 | 0.67 | 0.54 | 1.41 | 1.01 | 0.98 | 0.53 | 0.93 | 0.80 | 1.30 | 0.60 | 1.20 | 1.73 | 0.84 | 1.13 | 0.89 | 1.41 |
| 2-hydroxyglutarate | ME406564 | 0.82 | 1.04 | 0.76 | 0.68 | 1.01 | 0.92 | 0.72 | 1.41 | 0.65 | 1.26 | 0.93 | 1.54 | 0.73 | 1.01 | 0.99 | 0.86 | 0.80 | 1.48 | 0.57 | 0.94 | 1.69 | 1.46 | 0.85 | 0.85 | 0.85 | 1.23 | 0.86 | 0.69 |
| L-CARNITINE | ME406652 | 0.94 | 1.07 | 0.80 | 1.79 | 0.73 | 1.15 | 0.83 | 0.86 | 0.86 | 1.06 | 1.35 | 0.96 | 0.85 | 1.34 | 0.87 | 0.54 | 0.91 | 0.95 | 1.11 | 1.17 | 0.89 | 0.73 | 1.05 | 0.92 | 0.75 | 1.39 | 0.98 | 1.13 |
| RIBOFLAVIN | ME406719 | 0.81 | 1.48 | 0.90 | 0.59 | 0.81 | 0.59 | 0.99 | 1.08 | 0.88 | 1.25 | 1.17 | 1.10 | 0.80 | 1.22 | 0.87 | 1.04 | 1.01 | 1.17 | 0.79 | 1.07 | 0.87 | 1.01 | 1.11 | 0.37 | 1.00 | 1.46 | 1.50 | 0.86 |
| N-ACETYLPUTRESCINE | ME406692 | 1.14 | 0.68 | 0.89 | 0.52 | 0.76 | 0.67 | 1.05 | 1.35 | 0.70 | 0.97 | 0.99 | 0.82 | 0.65 | 0.86 | 0.96 | 0.88 | 1.07 | 1.25 | 1.15 | 1.24 | 1.00 | 1.13 | 1.78 | 0.62 | 1.25 | 0.91 | 1.10 | 0.98 |
| PANTOLACTONE;2-HYDROXYPHENYLACETIC ACID | ME406709 | 1.04 | 1.37 | 1.02 | 0.60 | 1.24 | 0.95 | 0.77 | 1.27 | 0.50 | 1.26 | 1.19 | 1.10 | 1.01 | 0.81 | 0.98 | 0.95 | 0.77 | 0.38 | 0.71 | 1.40 | 1.13 | 0.81 | 1.24 | 1.11 | 0.98 | 1.17 | 0.87 | 1.02 |
| Phenylalanine | ME406711 | 0.87 | 1.37 | 0.86 | 0.82 | 0.79 | 0.99 | 1.12 | 1.02 | 1.00 | 1.09 | 1.03 | 1.12 | 0.73 | 1.07 | 0.72 | 0.86 | 0.98 | 1.12 | 0.96 | 1.06 | 0.76 | 1.20 | 0.83 | 1.15 | 0.88 | 1.04 | 0.91 | 1.68 |
| Creatine-D3_R2 | ME406612 | 0.81 | 0.98 | 0.85 | 0.95 | 0.70 | 0.83 | 1.13 | 1.36 | 0.93 | 0.75 | 1.14 | 1.03 | 0.67 | 1.00 | 1.02 | 0.85 | 1.39 | 1.01 | 1.18 | 0.92 | 0.96 | 1.10 | 0.95 | 1.30 | 0.80 | 0.98 | 1.11 | 1.30 |
| L-HISTIDINE | ME406656 | 0.77 | 0.95 | 0.73 | 0.99 | 0.56 | 0.79 | 1.21 | 1.13 | 1.03 | 0.74 | 1.01 | 1.00 | 0.58 | 0.92 | 0.96 | 1.02 | 1.53 | 1.07 | 1.19 | 0.90 | 1.07 | 1.11 | 1.06 | 1.42 | 0.91 | 0.85 | 1.17 | 1.29 |
| 5-OXO-L-PROLINE;Pyroglutamic Acid | ME406584 | 1.20 | 0.75 | 0.76 | 0.74 | 1.45 | 0.67 | 1.19 | 1.19 | 0.79 | 0.97 | 0.70 | 1.08 | 0.88 | 0.90 | 0.89 | 1.13 | 1.10 | 1.06 | 0.83 | 1.59 | 0.97 | 0.85 | 1.12 | 0.85 | 1.04 | 0.88 | 0.93 | 1.27 |
| SUCCINATE | ME406724 | 1.00 | 0.77 | 0.72 | 0.63 | 1.43 | 1.05 | 1.03 | 1.09 | 0.89 | 1.19 | 0.99 | 0.90 | 0.98 | 0.95 | 1.31 | 1.12 | 1.00 | 1.16 | 0.81 | 1.26 | 1.21 | 0.91 | 0.96 | 0.64 | 0.79 | 1.06 | 0.87 | 1.40 |
| 2^,4^-DIHYDROXYACETOPHENONE | ME406559 | 0.85 | 1.12 | 1.07 | 1.00 | 1.07 | 1.57 | 0.82 | 0.98 | 0.83 | 1.01 | 1.06 | 1.09 | 0.88 | 1.07 | 1.04 | 0.97 | 0.96 | 0.92 | 0.80 | 1.07 | 0.94 | 1.05 | 0.84 | 1.13 | 0.96 | 0.92 | 0.87 | 1.19 |
| 5-Hydroxy-N-formylkynurenine | ME406582 | 1.15 | 0.92 | 0.95 | 0.91 | 1.05 | 0.67 | 1.24 | 0.70 | 0.93 | 0.88 | 0.68 | 1.15 | 0.85 | 0.68 | 1.18 | 1.10 | 1.02 | 0.77 | 0.99 | 1.04 | 1.37 | 0.87 | 1.05 | 1.44 | 0.95 | 1.03 | 0.99 | 1.25 |
| L-Leucine 13C6 | ME406662 | 1.01 | 0.59 | 1.00 | 1.10 | 0.99 | 0.84 | 0.89 | 1.00 | 0.89 | 0.73 | 0.95 | 0.89 | 1.03 | 0.80 | 1.08 | 1.31 | 0.83 | 0.95 | 0.80 | 1.30 | 1.38 | 1.01 | 1.18 | 0.99 | 1.04 | 1.14 | 1.03 | 1.20 |
| Hippuric Acid_R1 | ME406637 | 0.67 | 1.00 | 1.01 | 0.96 | 1.17 | 0.92 | 0.92 | 1.23 | 0.91 | 1.07 | 0.96 | 1.01 | 0.94 | 1.07 | 0.97 | 0.88 | 0.96 | 1.03 | 0.88 | 1.08 | 1.24 | 0.98 | 0.99 | 0.91 | 0.94 | 0.89 | 1.25 | 1.17 |
| ISOCITRIC ACID | ME406644 | 1.26 | 1.03 | 1.05 | 0.86 | 1.03 | 1.07 | 0.99 | 0.93 | 0.89 | 0.93 | 1.11 | 1.08 | 0.92 | 1.08 | 0.90 | 1.08 | 0.87 | 0.89 | 0.86 | 0.99 | 1.14 | 0.95 | 1.02 | 0.93 | 0.91 | 1.11 | 1.06 | 0.99 |
| Tryptophan-2,3,3-D3 | ME406744 | 1.02 | 1.06 | 0.98 | 0.84 | 1.13 | 1.01 | 0.98 | 0.98 | 0.98 | 1.13 | 0.98 | 1.06 | 0.98 | 0.88 | 1.05 | 0.96 | 0.93 | 0.84 | 1.09 | 1.00 | 1.09 | 1.02 | 1.04 | 0.98 | 0.96 | 0.94 | 1.05 | 0.96 |
| Creatine-D3_R1 | ME406611 | 1.01 | 0.97 | 1.07 | 0.95 | 0.91 | 1.01 | 1.02 | 1.00 | 0.93 | 0.90 | 1.05 | 0.89 | 0.99 | 0.96 | 0.97 | 1.03 | 0.99 | 0.97 | 0.92 | 1.11 | 1.10 | 1.04 | 1.03 | 1.14 | 1.14 | 0.83 | 1.05 | 1.15 |
| L-Phenylalanine 13C6 | ME406666 | 0.99 | 0.89 | 1.01 | 1.03 | 1.03 | 0.98 | 1.00 | 1.05 | 1.06 | 1.02 | 1.02 | 0.99 | 1.05 | 0.96 | 1.03 | 0.99 | 0.95 | 0.96 | 1.04 | 1.02 | 1.04 | 0.97 | 1.01 | 1.03 | 1.05 | 0.94 | 1.06 | 0.87 |
| N-BOC-L-Aspartic Acid_R1 | ME406695 | 1.04 | 0.93 | 0.98 | 1.03 | 0.99 | 1.01 | 1.09 | 1.07 | 0.91 | 0.93 | 1.04 | 1.14 | 0.88 | 0.98 | 0.88 | 0.88 | 0.89 | 0.89 | 0.93 | 1.05 | 1.15 | 1.00 | 1.04 | 1.05 | 0.95 | 0.93 | 1.11 | 1.05 |
| N-BOC-L-Aspartic Acid_R2 | ME406696 | 1.12 | 0.98 | 0.94 | 1.03 | 0.99 | 0.87 | 1.01 | 1.00 | 0.98 | 0.91 | 1.03 | 1.07 | 0.94 | 1.08 | 0.98 | 0.97 | 0.87 | 0.91 | 0.93 | 1.02 | 0.99 | 1.08 | 1.04 | 1.09 | 0.94 | 0.96 | 1.08 | 1.05 |
| L-Leucine-D10 | ME406663 | 1.05 | 0.95 | 1.05 | 1.05 | 0.96 | 0.98 | 1.06 | 0.98 | 1.03 | 0.93 | 1.03 | 1.02 | 0.95 | 1.03 | 0.79 | 0.98 | 1.00 | 0.96 | 0.97 | 1.03 | 0.99 | 1.03 | 1.01 | 1.05 | 0.94 | 1.00 | 1.07 | 1.06 |
| Caffeine-D3 | ME406600 | 0.95 | 1.00 | 0.99 | 0.97 | 1.05 | 0.96 | 1.01 | 1.04 | 0.96 | 0.98 | 1.06 | 1.00 | 0.95 | 1.03 | 0.94 | 0.95 | 0.92 | 1.02 | 0.96 | 1.03 | 1.08 | 1.03 | 1.01 | 0.97 | 0.97 | 1.12 | 1.02 | 1.03 |
| L-Tyrosine 13C6 | ME406669 | 1.04 | 0.99 | 1.00 | 1.02 | 0.94 | 0.97 | 0.99 | 1.01 | 0.96 | 0.99 | 1.00 | 1.02 | 0.98 | 0.99 | 0.96 | 0.98 | 0.94 | 0.97 | 1.04 | 1.06 | 1.05 | 0.99 | 1.00 | 1.03 | 0.98 | 1.02 | 1.04 | 1.01 |
| Formylkynurenine | ME406624 | 1.02 | 0.98 | 0.94 | 0.98 | 1.17 | 0.88 | 1.04 | 0.81 | 0.81 | 0.88 | 0.83 | 1.06 | 0.81 | 0.94 | 1.05 | 1.10 | 1.03 | 0.95 | 1.08 | 1.02 | 1.03 | 0.95 | 0.98 | 1.31 | 0.93 | 1.03 | 1.15 | 1.19 |
| BOC-L-Tyrosine_R2 | ME406599 | 0.92 | 0.94 | 1.22 | 0.83 | 1.29 | 0.89 | 1.13 | 0.79 | 0.99 | 1.01 | 0.85 | 1.06 | 1.04 | 0.67 | 1.15 | 0.87 | 0.88 | 0.82 | 0.94 | 1.07 | 1.22 | 0.96 | 1.02 | 1.13 | 0.98 | 1.07 | 1.09 | 1.06 |
| BOC-D-Phenylalanine | ME406597 | 1.11 | 1.00 | 0.92 | 0.87 | 1.14 | 0.76 | 1.03 | 0.85 | 0.89 | 0.94 | 0.73 | 1.11 | 0.83 | 0.76 | 1.01 | 0.98 | 1.01 | 0.79 | 0.98 | 1.27 | 1.48 | 0.87 | 1.11 | 1.20 | 0.95 | 1.02 | 0.99 | 1.19 |
| BOC-L-Tyrosine_R1 | ME406598 | 1.12 | 0.95 | 0.97 | 0.99 | 1.15 | 0.81 | 1.01 | 0.88 | 0.94 | 0.97 | 0.85 | 1.08 | 0.94 | 0.77 | 1.09 | 0.99 | 0.94 | 0.82 | 0.98 | 1.09 | 1.31 | 0.96 | 1.04 | 1.10 | 0.92 | 1.04 | 1.09 | 1.09 |
| N-BOC-L-tert-Leucine | ME406697 | 1.08 | 0.95 | 1.02 | 0.89 | 1.07 | 0.93 | 1.00 | 0.94 | 0.93 | 0.89 | 1.00 | 1.03 | 0.94 | 0.89 | 0.94 | 1.06 | 0.96 | 0.87 | 0.95 | 1.22 | 1.26 | 0.97 | 1.05 | 1.09 | 0.95 | 0.99 | 1.02 | 1.03 |
| Choline | ME406604 | 1.24 | 1.54 | 1.16 | 0.88 | 0.56 | 1.21 | 1.01 | 1.01 | 0.79 | 1.66 | 1.24 | 0.73 | 0.85 | 1.38 | 0.66 | 0.91 | 0.73 | 1.23 | 0.75 | 1.02 | 0.65 | 1.05 | 0.98 | 0.78 | 0.72 | 1.30 | 1.01 | 1.24 |
| L-ARGININE | ME406650 | 1.20 | 1.43 | 0.90 | 0.90 | 0.70 | 0.86 | 1.27 | 1.51 | 0.91 | 1.65 | 1.10 | 1.13 | 0.92 | 1.01 | 0.76 | 0.93 | 0.75 | 0.99 | 1.23 | 0.83 | 0.88 | 0.90 | 0.90 | 1.03 | 0.82 | 0.68 | 0.92 | 0.86 |
| L-GLUTAMINE | ME406655 | 0.98 | 1.18 | 1.15 | 0.80 | 1.06 | 1.17 | 1.29 | 1.51 | 1.00 | 1.48 | 1.00 | 0.90 | 1.09 | 1.20 | 0.83 | 0.86 | 0.95 | 0.64 | 0.90 | 0.78 | 0.85 | 0.92 | 0.91 | 0.99 | 0.82 | 0.76 | 0.82 | 1.35 |
| PYRIDOXAL | ME406716 | 0.43 | 0.59 | 0.79 | 0.53 | 0.47 | 0.24 | 0.45 | 0.68 | 1.02 | 2.11 | 1.66 | 0.53 | 0.81 | 1.69 | 1.36 | 1.13 | 1.12 | 0.74 | 1.34 | 1.31 | 1.20 | 1.09 | 1.37 | 0.74 | 1.18 | 1.21 | 0.97 | 1.35 |
| N1-Methyl-2-pyridone-5-carboxamide | ME406685 | 0.89 | 1.32 | 1.76 | 1.01 | 0.50 | 0.94 | 0.57 | 0.82 | 0.66 | 2.00 | 1.06 | 0.77 | 0.74 | 1.06 | 1.04 | 0.85 | 0.88 | 0.90 | 1.04 | 0.72 | 1.25 | 0.90 | 1.50 | 0.69 | 0.62 | 1.83 | 0.85 | 0.55 |
| N1-Methyl-4-pyridone-5-carboxamide | ME406686 | 0.96 | 1.69 | 1.68 | 0.84 | 0.51 | 0.99 | 0.46 | 0.61 | 0.75 | 2.74 | 1.13 | 0.65 | 0.63 | 1.04 | 0.93 | 0.69 | 0.77 | 0.88 | 1.44 | 0.60 | 1.57 | 0.82 | 1.48 | 0.45 | 0.43 | 2.06 | 0.77 | 0.32 |
| 2,6-Dimethylheptanoyl Carnitine | ME406561 | 2.91 | 0.66 | 0.99 | 0.76 | 1.28 | 0.57 | 0.80 | 0.68 | 1.66 | 0.90 | 0.56 | 0.85 | 0.50 | 1.25 | 1.44 | 0.57 | 0.89 | 0.63 | 2.67 | 0.61 | 1.12 | 0.29 | 0.62 | 0.88 | 0.73 | 0.93 | 1.16 | 1.62 |
| O-ACETYL-L-SERINE;N-ACETYL-DL-SERINE | ME406705 | 2.22 | 0.63 | 1.28 | 0.48 | 0.84 | 0.59 | 1.64 | 0.93 | 0.43 | 1.28 | 0.60 | 0.85 | 0.66 | 0.84 | 0.86 | 0.66 | 1.47 | 0.87 | 1.76 | 1.01 | 0.66 | 0.63 | 0.78 | 0.46 | 0.77 | 0.87 | 3.13 | 1.18 |
| 2^-DEOXYGUANOSINE;ADENOSINE | ME406562 | 2.26 | NA | 0.58 | 0.75 | 0.17 | NA | 0.94 | 0.46 | 0.92 | 2.62 | 0.66 | 0.76 | 0.93 | 0.46 | 0.65 | 0.82 | 2.18 | 0.83 | 2.66 | 0.90 | 0.48 | 0.76 | 0.84 | 1.61 | 1.37 | 0.28 | 0.64 | 0.90 |
| Anthranilate | ME406594 | 2.40 | 0.98 | 0.59 | 0.45 | 0.45 | 0.75 | 0.88 | 0.50 | 0.67 | 0.80 | 0.69 | 0.44 | 0.82 | 1.51 | 1.87 | 0.93 | 2.67 | 1.21 | 1.71 | 0.49 | 1.63 | 1.02 | 0.89 | 1.21 | 0.82 | 0.65 | 0.90 | 0.73 |
| L-KYNURENINE | ME406659 | 1.15 | 0.56 | 0.58 | 0.85 | 0.26 | 0.60 | 0.75 | 0.94 | 1.47 | 0.61 | 0.73 | 0.49 | 0.64 | 1.63 | 0.81 | 1.28 | 2.42 | 2.26 | 1.64 | 0.82 | 0.73 | 1.44 | 1.08 | 1.24 | 0.89 | 0.96 | 0.90 | 0.70 |
| Cholic Acid_R1 | ME406602 | 0.57 | 0.73 | 0.87 | 0.39 | 0.58 | 3.97 | 0.47 | 0.07 | 0.65 | 0.45 | 0.54 | 1.60 | 0.48 | 0.44 | NA | NA | 0.22 | NA | 0.07 | 0.10 | 0.31 | NA | 2.06 | 0.14 | NA | 0.72 | NA | 5.51 |
| Cholic Acid_R2 | ME406603 | 0.49 | 0.62 | 0.87 | 0.63 | 0.63 | 3.59 | 0.44 | NA | 0.73 | 0.37 | 0.53 | 1.60 | 0.55 | 0.40 | 0.11 | 0.11 | 0.17 | NA | NA | 0.15 | 0.22 | NA | 2.32 | 0.13 | 0.11 | 0.95 | NA | 5.98 |
| Tauroursodeoxycholic acid (T-UDCA)_R1 | ME406736 | 0.40 | 2.11 | 0.23 | 0.35 | 0.63 | 1.19 | 3.28 | 0.24 | 0.11 | 0.30 | 0.27 | 0.72 | 0.27 | 0.09 | 0.63 | 0.25 | 1.65 | 0.61 | 1.30 | 1.00 | 1.81 | 0.24 | 1.17 | 0.48 | 0.84 | 1.40 | 2.41 | 4.15 |
| Tauroursodeoxycholic acid (T-UDCA)_R2 | ME406737 | 0.13 | 2.02 | NA | 0.12 | 0.73 | 0.75 | 1.81 | 0.14 | NA | 0.48 | 0.15 | 0.55 | 0.11 | 0.13 | 1.02 | 0.44 | 0.85 | 0.92 | 1.60 | 1.48 | 1.06 | 0.34 | 0.81 | 0.80 | 0.69 | 1.67 | 1.95 | 5.91 |
| Taurocholic acid (TCA)_R3 | ME406731 | 0.57 | 3.58 | 0.31 | 0.18 | 0.45 | 2.27 | 1.94 | 0.40 | 0.69 | 0.61 | 1.24 | 0.27 | 0.57 | 0.41 | 0.39 | 0.19 | 0.98 | 0.34 | 0.07 | 0.31 | 0.34 | 0.17 | 0.63 | 0.16 | 0.57 | 4.00 | 3.27 | 4.20 |
| Tauroursodeoxycholic acid (T-UDCA)_R3 | ME406738 | 0.60 | 3.19 | 0.34 | 0.71 | 0.31 | 1.40 | 0.14 | 0.36 | 0.16 | 0.41 | 0.40 | 1.07 | 0.41 | 0.14 | 0.48 | 0.36 | 1.88 | 0.82 | 1.09 | 0.62 | 0.39 | 0.14 | 1.39 | 0.33 | 0.68 | 1.94 | 3.64 | 4.11 |
Factors:
| F1 | Diabetic or Healthy:Diabetic | Sex:MI | Fasted or Fed:Fed | Breed:Labrador retriever |
| F2 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Bichon Frise |
| F3 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Maltese |
| F4 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Mix (Jack Russell Terrier) |
| F5 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Pomeranian |
| F6 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fasted | Breed:Silky Terrier |
| F7 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fed | Breed:Cavalier King Charles Spaniel |
| F8 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fed | Breed:Miniature Australian Shepherd |
| F9 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fed | Breed:Mix (Pug/beagle) |
| F10 | Diabetic or Healthy:Diabetic | Sex:MN | Fasted or Fed:Fed | Breed:Rottweiler |
| F11 | Diabetic or Healthy:Diabetic | Sex:SF | Fasted or Fed:Fasted | Breed:Miniature Pinscher |
| F12 | Diabetic or Healthy:Diabetic | Sex:SF | Fasted or Fed:Fasted | Breed:Mix |
| F13 | Diabetic or Healthy:Diabetic | Sex:SF | Fasted or Fed:Fasted | Breed:Rottweiler |
| F14 | Diabetic or Healthy:Diabetic | Sex:SF | Fasted or Fed:Fed | Breed:Miniature Schnauzer |
| F15 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fasted | Breed:Maltese mix |
| F16 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fasted | Breed:Rottweiler |
| F17 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fed | Breed:Labrador retriever |
| F18 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fed | Breed:Miniature Australian Shepherd |
| F19 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fed | Breed:Mix (Beagle) |
| F20 | Diabetic or Healthy:Healthy | Sex:MN | Fasted or Fed:Fed | Breed:Rottweiler |
| F21 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Bichon/Poodle |
| F22 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Miniature Pinscher |
| F23 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Mix |
| F24 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Mix (Jack Russell Terrier) |
| F25 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Pomeranian |
| F26 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fasted | Breed:Silky Terrier |
| F27 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fed | Breed:Cavalier King Charles Spaniel |
| F28 | Diabetic or Healthy:Healthy | Sex:SF | Fasted or Fed:Fed | Breed:Miniature Schnauzer |