Clustering data with hclust algorithm for (Study ST003954)
Reversed phase POSITIVE ION MODE (Analysis AN006499)| 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 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 | F45 | F46 | F47 | F48 | F49 | F50 | F51 | F52 | F53 | F54 | F55 | F56 | F57 | F58 | F59 | F60 | F61 | F62 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3-Iodo-L-Tyrosine | ME1045975 | 0.39 | 0.35 | 0.04 | 0.05 | 0.21 | 1.08 | 0.47 | 0.31 | 4.65 | 1.15 | 0.23 | 0.85 | 0.24 | 0.13 | 0.75 | 0.61 | 0.01 | 2.99 | 0.31 | 1.08 | 1.31 | 13.54 | 0.01 | 1.53 | 0.75 | 0.39 | 0.43 | 0.34 | 1.81 | 0.66 | 0.51 | NA | 0.14 | NA | 0.73 | NA | 0.38 | 0.41 | 2.14 | 0.10 | 0.17 | 1.65 | 0.05 | 2.40 | 1.53 | 2.21 | 2.09 | 1.04 | 0.15 | 1.05 | NA | 0.01 | 0.36 | 1.31 | 2.55 | NA | 0.12 | 0.45 | NA | NA | 0.39 | 0.07 |
| 3-Hydroxyhippuric-Acid | ME1045974 | 0.94 | 5.77 | 2.63 | 0.47 | 1.79 | 0.67 | 0.07 | 0.12 | 0.48 | 2.42 | 2.20 | 0.83 | 1.52 | 0.43 | 0.70 | 0.08 | 0.55 | 0.48 | 0.16 | 0.34 | 1.97 | 1.05 | 0.88 | 0.74 | 0.67 | 3.98 | 2.53 | 0.18 | 0.59 | 0.09 | 0.38 | 0.52 | 0.23 | 0.69 | 0.69 | 0.14 | 0.16 | 0.37 | 1.76 | 0.83 | 0.48 | 0.81 | 4.80 | 1.11 | 0.57 | 0.34 | 0.35 | 1.30 | 0.30 | 0.34 | 1.52 | 0.31 | 0.10 | 0.37 | 0.19 | 1.83 | 1.37 | 0.82 | 0.37 | 1.66 | 2.23 | 0.26 |
| 3-N-Methyl-L-Histidine | ME1045976 | 1.31 | 0.48 | 0.16 | 0.22 | 0.94 | 0.67 | 3.36 | 0.63 | 0.28 | 0.25 | 1.51 | 1.42 | 0.92 | 4.10 | 1.20 | 0.09 | 2.18 | 0.11 | 1.34 | 0.61 | 0.92 | 1.10 | 0.15 | 0.98 | 0.70 | 2.11 | 1.01 | 0.41 | 0.51 | 0.75 | 0.31 | 0.56 | 0.47 | 0.19 | 0.28 | 1.66 | 3.60 | 1.79 | 0.62 | 1.77 | 0.34 | 0.30 | 1.62 | 0.20 | 0.14 | 0.54 | 1.70 | 1.24 | 0.77 | 0.25 | 1.23 | 0.12 | 0.86 | 0.24 | 0.10 | 1.75 | 0.37 | 0.47 | 0.82 | 0.26 | 3.69 | 0.52 |
| Trimethylamine-N-Oxide | ME1046044 | 0.72 | 1.06 | 0.49 | 1.38 | 3.28 | 0.49 | 0.94 | 0.02 | 0.85 | 0.63 | 1.65 | 0.95 | 0.91 | 2.24 | 1.06 | 0.17 | 1.96 | 5.06 | 0.90 | 0.34 | 1.00 | 1.00 | 0.67 | 0.84 | 1.60 | 1.88 | 1.12 | 0.72 | 1.24 | 0.52 | 2.59 | 0.85 | 1.49 | 0.56 | 0.53 | 0.43 | 0.56 | 0.41 | 0.76 | 0.74 | 0.53 | 0.44 | 0.97 | 1.67 | 0.51 | 2.54 | 0.30 | 2.71 | 1.33 | 0.78 | 1.14 | 0.47 | 0.09 | 0.27 | 0.36 | 0.70 | 0.41 | 0.97 | 0.72 | 0.32 | 1.13 | 1.58 |
| N-Acetylneuraminic-Acid | ME1046026 | 0.84 | 0.74 | 0.83 | 1.00 | 1.48 | 0.77 | 1.26 | 0.94 | 0.78 | 1.40 | 0.87 | 0.81 | 1.15 | 0.94 | 0.77 | 0.88 | 1.12 | 1.02 | 0.93 | 0.77 | 1.09 | 0.53 | 0.83 | 0.88 | 0.86 | 0.92 | 0.87 | 0.83 | 0.79 | 1.05 | 0.72 | 0.86 | 0.82 | 0.93 | 0.99 | 0.98 | 0.83 | 0.95 | 0.84 | 0.96 | 0.98 | 0.66 | 0.72 | 1.88 | 0.76 | 1.02 | 1.06 | 1.17 | 6.23 | 0.78 | 1.09 | 0.90 | 0.71 | 0.89 | 1.01 | 1.03 | 0.95 | 1.02 | 0.85 | 0.74 | 1.32 | 0.88 |
| L-Cystathionine | ME1046010 | 0.89 | 1.49 | 1.67 | 0.66 | 1.50 | 0.44 | 0.27 | 0.28 | 0.35 | 0.61 | 0.99 | 0.17 | 0.99 | 1.82 | 0.90 | 0.15 | 1.40 | 2.03 | 0.28 | 0.97 | 0.28 | 1.31 | 0.83 | 0.71 | 0.44 | 1.85 | 0.91 | 0.40 | 0.90 | 0.74 | 0.25 | 1.27 | 0.62 | 0.49 | 1.54 | 0.50 | 0.90 | 0.60 | 1.03 | 2.11 | 0.92 | NA | 2.39 | 0.60 | 2.79 | 2.34 | 1.19 | 4.46 | 0.06 | 1.02 | 0.72 | 0.23 | 0.40 | 0.66 | 0.68 | 0.06 | 1.34 | 2.12 | 1.82 | 0.90 | 1.13 | 0.63 |
| Asp-Phe | ME1045987 | 0.39 | 0.66 | 0.36 | 1.93 | 3.00 | 0.26 | 1.14 | 1.33 | 0.70 | 1.57 | 0.53 | 0.80 | 2.48 | 1.08 | 0.44 | 0.15 | 0.53 | 1.77 | 1.48 | 0.98 | 1.07 | 0.29 | 1.15 | 0.95 | 1.06 | 1.25 | 0.23 | 0.37 | 0.43 | 1.06 | 0.29 | 0.67 | 0.44 | 0.55 | 0.40 | 1.75 | 0.55 | 2.46 | 0.55 | 2.83 | 0.14 | 0.43 | 1.23 | 2.24 | 0.96 | 1.95 | 1.79 | 1.86 | 0.28 | 0.37 | 1.45 | 1.13 | 0.30 | 2.54 | 2.57 | 1.70 | 1.13 | 0.58 | 1.11 | 1.00 | 2.33 | 0.47 |
| N-Glycyl-L-Leucine | ME1046028 | 0.19 | 0.92 | 0.57 | 1.97 | 1.71 | NA | 1.10 | 1.31 | 0.48 | 1.57 | 0.43 | 1.05 | 0.97 | 1.29 | 0.05 | 0.32 | 1.05 | 0.98 | 0.94 | 1.65 | 2.13 | 1.13 | 0.94 | 1.25 | 1.42 | 0.56 | NA | 1.33 | 0.06 | 3.37 | 0.30 | 0.67 | 1.30 | 0.81 | 0.44 | 1.18 | 0.03 | 1.59 | 1.40 | 1.49 | NA | 0.04 | 1.25 | 2.06 | 1.39 | 0.80 | 2.04 | 0.77 | 0.64 | 0.26 | 0.89 | 1.85 | 0.11 | 2.94 | 1.51 | 2.81 | 1.07 | 0.63 | 1.47 | 0.73 | 0.85 | 1.47 |
| 5-Hydroxy-Tryptamine | ME1045980 | 1.06 | 0.80 | 0.57 | 0.54 | 1.37 | 1.56 | 4.75 | 1.16 | 0.70 | 1.11 | 0.85 | 0.42 | 0.62 | 1.40 | 0.18 | 1.27 | 1.14 | 0.58 | 1.18 | 0.68 | 1.05 | 1.32 | 0.47 | 0.48 | 1.02 | 0.96 | 1.53 | 1.45 | 0.62 | 0.66 | 1.41 | 1.00 | 1.99 | 0.71 | 0.73 | 0.98 | 0.89 | 0.56 | 0.70 | 0.77 | 1.44 | 1.74 | 0.53 | 0.51 | 0.48 | 0.54 | 0.83 | 0.37 | 0.87 | 1.05 | 0.51 | 1.91 | 1.10 | 0.64 | 0.56 | 0.62 | 0.92 | 0.74 | 0.72 | 1.27 | 0.92 | 1.97 |
| TRP-GLU | ME1046046 | 1.30 | NA | 0.37 | 1.59 | 1.45 | 0.69 | 0.80 | 0.68 | NA | 1.38 | 0.37 | 0.58 | 2.51 | 0.52 | 0.57 | 0.47 | 0.54 | 1.06 | 0.77 | 0.46 | 1.36 | NA | 0.89 | 0.93 | 0.89 | NA | NA | 0.73 | NA | 0.48 | NA | NA | NA | 0.68 | NA | 0.96 | 0.33 | 1.38 | 1.09 | 0.83 | NA | NA | 0.81 | 1.42 | 0.79 | 0.65 | 2.00 | 1.47 | NA | 0.29 | 1.43 | NA | NA | 1.82 | 1.20 | 0.69 | NA | NA | 0.76 | 0.60 | NA | NA |
| Beta-Alanine | ME1045988 | 0.74 | 0.49 | 0.87 | 0.80 | 0.56 | 0.43 | 1.11 | 0.44 | 0.38 | 1.62 | 0.43 | 0.12 | 0.78 | 0.57 | 0.51 | 0.20 | 1.31 | 1.32 | 1.19 | 2.52 | 1.20 | 2.96 | 0.84 | 0.63 | 0.93 | 0.95 | 0.75 | 3.58 | 0.64 | 0.65 | 0.38 | 0.61 | 0.57 | 0.46 | 1.18 | 1.21 | 1.13 | 1.36 | 2.35 | 1.58 | 0.62 | 0.60 | 1.62 | 1.83 | 1.21 | 1.61 | 2.76 | 2.47 | 0.48 | 1.63 | 0.33 | 0.42 | 0.94 | 1.02 | 0.47 | 0.65 | 0.47 | 1.44 | 0.72 | 0.67 | 1.38 | 0.64 |
| Nα-Acetyl-L-glutamine | ME1046031 | 0.77 | 1.88 | 0.63 | 0.46 | 0.77 | 1.95 | 0.14 | 1.56 | 2.13 | 0.47 | 0.86 | 1.34 | 0.66 | 0.96 | 1.96 | 1.18 | 0.86 | 1.03 | 0.36 | 1.32 | 1.00 | 1.85 | 1.27 | 0.92 | 2.07 | 0.77 | 0.54 | 1.06 | 0.95 | 0.86 | 1.55 | 0.87 | 0.65 | 0.45 | 1.01 | 0.94 | 1.33 | 1.06 | 1.94 | 1.22 | 1.01 | 1.77 | 0.43 | 1.40 | 0.54 | 0.70 | 0.57 | 0.68 | 0.67 | 1.23 | 0.31 | 0.86 | 1.69 | 1.04 | 2.13 | 0.75 | 0.42 | 1.51 | 0.38 | 0.76 | 0.71 | 0.70 |
| Succinic-Acid | ME1046041 | 0.95 | 0.82 | 1.73 | 2.37 | 0.64 | 0.42 | 1.56 | 0.39 | 0.40 | 1.32 | 0.81 | 0.99 | 1.62 | 2.12 | 0.83 | 1.36 | 2.07 | 0.60 | 1.32 | 2.15 | 0.69 | 0.29 | 0.67 | 0.65 | 0.69 | 0.70 | 1.22 | 1.13 | 0.79 | 0.41 | 0.76 | 0.88 | 1.14 | 2.24 | 1.17 | 1.25 | 0.87 | 0.56 | 1.05 | 0.90 | 0.76 | 0.54 | 2.03 | 0.69 | 1.00 | 1.07 | 1.53 | 1.28 | 1.00 | 0.87 | 0.78 | 0.72 | 0.89 | 0.36 | 0.42 | 0.84 | 1.17 | 0.81 | 0.60 | 0.71 | 0.69 | 1.17 |
| L-Homocitrulline | ME1046012 | 0.94 | 1.46 | 0.60 | 1.40 | 1.31 | 0.78 | 1.41 | 1.00 | 0.71 | 1.03 | 0.94 | 0.96 | 0.53 | 2.20 | 0.76 | 0.53 | 1.45 | 0.35 | 0.77 | 1.03 | 0.88 | 0.23 | 0.79 | 0.96 | 1.23 | 1.10 | 1.20 | 0.48 | 1.00 | 0.72 | 0.53 | 0.58 | 0.95 | 0.79 | 0.74 | 0.81 | 1.92 | 0.79 | 0.63 | 1.13 | 1.32 | 0.38 | 1.47 | 2.27 | 1.09 | 0.77 | 1.45 | 3.95 | 0.51 | 0.83 | 1.08 | 0.83 | 0.85 | 0.43 | 0.63 | 0.56 | 1.22 | 1.53 | 0.84 | 0.83 | 1.08 | 1.03 |
| S-Sulfo-L-Cysteine | ME1046040 | 0.82 | 1.10 | 0.98 | 1.07 | 1.24 | 0.87 | 0.55 | 0.67 | 0.98 | 1.09 | 0.92 | 1.33 | 1.25 | 1.01 | 0.91 | 0.91 | 1.35 | 0.62 | 0.80 | 0.85 | 1.05 | 1.04 | 0.64 | 0.73 | 1.19 | 1.20 | 0.62 | 0.65 | 1.02 | 0.78 | 0.68 | 0.71 | 1.25 | 1.10 | 0.85 | 1.03 | 1.17 | 0.67 | 0.93 | 0.99 | 0.47 | 0.72 | 1.03 | 1.11 | 0.81 | 1.18 | 1.24 | 4.32 | 1.07 | 1.20 | 1.19 | 0.93 | 0.59 | 1.99 | 1.08 | 1.84 | 0.81 | 1.16 | 0.54 | 0.58 | 0.85 | 1.20 |
| (S)-β-Aminoisobutyric-Acid | ME1045968 | 0.90 | 0.67 | 0.95 | 1.09 | 1.48 | 0.50 | 2.08 | 1.35 | 0.65 | 0.71 | 1.55 | 0.70 | 0.64 | 1.25 | 0.44 | 1.14 | 1.32 | 0.78 | 0.60 | 1.51 | 1.02 | 0.72 | 0.71 | 1.09 | 1.15 | NA | 1.48 | 2.01 | 0.97 | 0.94 | 1.20 | 0.31 | 0.71 | 0.77 | 2.32 | 2.02 | 0.61 | 0.70 | 1.99 | 0.79 | NA | 0.55 | 0.80 | 1.26 | 1.37 | 1.48 | 1.19 | 1.88 | 0.30 | 0.96 | 0.71 | 0.56 | 0.74 | 0.50 | 0.97 | 0.81 | 0.83 | 0.52 | 1.11 | 0.42 | 1.25 | 0.85 |
| L-Pipecolic-Acid | ME1046015 | 0.81 | 0.81 | 1.11 | 0.73 | 0.89 | 1.17 | 0.84 | 0.45 | 1.19 | 0.87 | 0.79 | 0.83 | 0.94 | 1.11 | 0.68 | 0.60 | 1.22 | 0.85 | 0.97 | 0.98 | 1.42 | 1.61 | 0.72 | 0.85 | 1.96 | 0.92 | 0.98 | 0.75 | 0.93 | 0.79 | 1.77 | 1.71 | 0.62 | 0.71 | 0.94 | 1.21 | 1.40 | 0.94 | 1.06 | 0.55 | 0.50 | 0.69 | 0.97 | 1.14 | 1.08 | 3.22 | 1.84 | 0.70 | 0.70 | 1.03 | 1.21 | 0.73 | 0.54 | 1.10 | 2.04 | 1.02 | 1.81 | 0.80 | 0.53 | 0.60 | 1.16 | 0.60 |
| 4-Acetamidobutyric-Acid | ME1045977 | 0.72 | 0.61 | 1.50 | 1.71 | 1.20 | 0.54 | 2.08 | 0.45 | 1.38 | 1.38 | 0.50 | 0.39 | 0.75 | 0.92 | 0.59 | 0.80 | 1.55 | 1.91 | 1.01 | 1.44 | 1.54 | 1.26 | 0.60 | 1.07 | 0.84 | 0.75 | 0.70 | 1.58 | 0.91 | 0.85 | 0.73 | 1.17 | 0.45 | 1.18 | 1.07 | 0.71 | 0.68 | 0.09 | 2.22 | 0.66 | 0.86 | 1.05 | 1.70 | 1.70 | 1.46 | 1.35 | 1.30 | 1.29 | 0.67 | 0.78 | 0.77 | 0.58 | 0.84 | 1.12 | 1.40 | 1.16 | 0.76 | 1.00 | NA | 0.77 | 1.92 | 0.50 |
| α-Aminoadipic-acid | ME1046050 | 0.75 | 0.80 | 0.70 | 0.62 | 1.43 | 0.89 | 0.68 | 0.53 | 0.59 | 1.25 | 0.66 | 0.66 | 0.53 | 0.91 | 0.77 | 0.48 | 0.97 | 2.67 | 0.85 | 0.92 | 0.85 | 1.70 | 0.86 | 0.92 | 1.27 | 1.55 | 0.56 | 0.41 | 1.23 | 0.74 | 0.77 | 0.64 | 0.81 | 0.61 | 1.50 | 1.82 | 1.10 | 1.61 | 0.77 | 1.61 | 0.79 | 0.56 | 1.54 | 1.14 | 1.48 | 2.86 | 1.91 | 2.50 | 0.73 | 1.03 | 0.77 | 0.82 | 0.79 | 1.04 | 0.66 | 0.99 | 0.81 | 1.25 | 0.64 | 0.47 | 1.63 | 0.78 |
| glycylphenylalanine | ME1046000 | 1.09 | 0.71 | 0.46 | 1.34 | 1.68 | 0.62 | 0.81 | 1.15 | 1.24 | 2.83 | 0.93 | 0.70 | 1.23 | 1.13 | 1.37 | 0.51 | 0.91 | 1.08 | 0.67 | 0.94 | 1.29 | 0.66 | 0.84 | 1.14 | 0.61 | 0.81 | 0.38 | 0.44 | 0.63 | 1.03 | 0.57 | 1.29 | 0.82 | 0.51 | 0.36 | 1.15 | 0.49 | 1.43 | 0.57 | 1.08 | 0.41 | 1.21 | 1.04 | 1.71 | 1.25 | 1.06 | 1.26 | 0.88 | 0.87 | 0.52 | 1.13 | 1.11 | 0.49 | 1.69 | 2.03 | 1.11 | 0.73 | 0.54 | 1.36 | 1.54 | 0.81 | 0.94 |
| Asp | ME1045986 | 1.14 | 0.54 | 0.82 | 1.56 | 1.80 | 0.54 | 0.97 | 0.99 | 0.61 | 2.84 | 0.63 | 0.92 | 1.39 | 0.79 | 0.53 | 0.35 | 0.85 | 1.23 | 1.12 | 0.90 | 1.12 | 0.51 | 0.93 | 0.83 | 1.20 | 0.96 | 0.54 | 0.52 | 0.63 | 1.06 | 0.51 | 0.56 | 0.76 | 0.99 | 0.65 | 1.30 | 0.75 | 1.09 | 0.61 | 1.54 | 0.31 | 0.47 | 0.76 | 1.46 | 0.80 | 1.00 | 1.53 | 2.00 | 0.61 | 0.52 | 1.12 | 0.98 | 0.55 | 1.57 | 1.84 | 1.37 | 1.21 | 0.91 | 1.06 | 1.19 | 1.04 | 0.82 |
| Glu | ME1045996 | 1.02 | 0.57 | 0.93 | 1.19 | 2.47 | 0.69 | 0.61 | 0.98 | 0.53 | 2.24 | 0.66 | 0.54 | 1.36 | 0.56 | 0.47 | 0.36 | 1.26 | 1.57 | 1.31 | 1.00 | 1.09 | 0.44 | 0.99 | 0.97 | 0.98 | 1.16 | 0.51 | 0.47 | 0.93 | 0.86 | 0.48 | 0.86 | 0.68 | 0.70 | 1.00 | 1.61 | 0.83 | 1.53 | 0.51 | 1.46 | 0.31 | 0.35 | 0.62 | 1.37 | 0.81 | 1.49 | 1.65 | 2.43 | 0.97 | 0.51 | 1.50 | 1.10 | 0.58 | 1.59 | 1.60 | 1.22 | 1.05 | 0.99 | 0.56 | 0.88 | 1.17 | 0.68 |
| Trans-4-Hydroxy-L-Proline | ME1046043 | 0.83 | 1.11 | 0.85 | 0.43 | 1.69 | 0.98 | 1.20 | 1.71 | 0.76 | 1.24 | 1.09 | 0.63 | 0.85 | 1.99 | 0.81 | 0.48 | 1.11 | 1.91 | 0.98 | 1.46 | 1.97 | 1.65 | 0.62 | 0.77 | 1.25 | 1.66 | 0.71 | 0.78 | 0.47 | 0.71 | 0.97 | 0.71 | 0.83 | 0.69 | 1.56 | 1.10 | 2.20 | 0.71 | 0.96 | 1.00 | 0.85 | 0.51 | 2.03 | 1.41 | 0.88 | 0.71 | 1.00 | 1.48 | 0.51 | 0.72 | 0.50 | 0.58 | 0.72 | 0.87 | 0.48 | 1.34 | 1.33 | 0.99 | 0.81 | 0.48 | 1.09 | 0.86 |
| N-Acetyl-L-Tyrosine | ME1046025 | 0.99 | 1.55 | 0.54 | 0.39 | 1.24 | 1.46 | 0.80 | 1.06 | 0.90 | 0.66 | 0.31 | 0.89 | 0.75 | 0.53 | 0.85 | 0.65 | 0.36 | 1.76 | 0.31 | 1.21 | 0.80 | 1.90 | 1.31 | 1.25 | 1.31 | 1.87 | 0.55 | 1.20 | 1.35 | 0.69 | 1.24 | 1.02 | 0.28 | 0.66 | 1.42 | 1.22 | 0.68 | 0.85 | 1.79 | 1.26 | 1.45 | 1.02 | 0.37 | 1.18 | 1.33 | 1.72 | 0.89 | 0.98 | 1.26 | 0.89 | 0.49 | 1.63 | 1.42 | 1.52 | 0.99 | 0.84 | 0.47 | 1.13 | 0.62 | 0.44 | 1.14 | 0.44 |
| Sarcosine | ME1046038 | 0.87 | 1.13 | 0.65 | 0.80 | 1.19 | 0.67 | 1.18 | NA | NA | 1.01 | 0.65 | 0.93 | 0.86 | 1.11 | 1.02 | 0.95 | 0.67 | 1.45 | 0.99 | 0.88 | NA | 1.67 | 0.71 | 0.77 | 0.91 | 1.01 | 0.79 | 0.96 | 0.89 | 0.95 | 0.66 | 0.88 | 0.98 | 0.84 | 1.52 | 1.03 | 0.76 | 1.14 | 1.00 | 1.36 | 0.85 | 0.87 | 2.00 | 1.37 | 1.15 | 1.35 | 1.65 | 1.47 | 1.17 | 1.64 | 0.84 | NA | 0.75 | NA | 0.79 | 0.81 | 0.87 | 1.10 | 1.13 | 0.48 | 1.12 | 0.95 |
| 2-Aminobutyric-acid | ME1045971 | 1.14 | 0.91 | 0.96 | 0.55 | 1.19 | 1.15 | 1.64 | 0.81 | 0.41 | 0.55 | 1.47 | 1.33 | 0.54 | 1.12 | 0.92 | 0.92 | 0.92 | 0.69 | 1.38 | 0.78 | 0.67 | 1.16 | 1.20 | 0.84 | 1.42 | 1.41 | 0.79 | 0.71 | 0.91 | 1.45 | 0.92 | 0.68 | 1.27 | 1.00 | 0.94 | 1.91 | 1.11 | 1.64 | 0.87 | 0.87 | 0.63 | 0.69 | 0.97 | 0.76 | 1.34 | 0.89 | 0.63 | 0.67 | 1.29 | 0.79 | 0.96 | 0.78 | 0.90 | 0.85 | 0.76 | 1.56 | 0.81 | 1.10 | 0.75 | 0.41 | 0.79 | 1.26 |
| N,N-Dimethylglycine | ME1046021 | 0.91 | 1.12 | 0.84 | 1.34 | 1.21 | 0.62 | 0.85 | 0.74 | 0.69 | 1.08 | 0.69 | 0.88 | 0.93 | 0.72 | 1.08 | 0.69 | 1.20 | 2.71 | 0.94 | 0.93 | 0.77 | 1.14 | 0.83 | 1.02 | 1.01 | 0.93 | 0.89 | 1.10 | 1.57 | 1.13 | 0.69 | 0.77 | 0.84 | 0.68 | 1.34 | 1.23 | 0.77 | 0.93 | 0.95 | 1.27 | 1.80 | 0.87 | 0.91 | 1.36 | 1.56 | 1.59 | 0.94 | 1.50 | 0.77 | 1.36 | 0.83 | 0.79 | 1.15 | 0.78 | 0.88 | 0.50 | 0.77 | 1.07 | 0.82 | 0.47 | 1.14 | 0.86 |
| Creatine | ME1045989 | 0.76 | 1.41 | 0.52 | 0.67 | 2.05 | 1.17 | 1.47 | 0.93 | 0.80 | 1.02 | 1.18 | 0.67 | 0.81 | 1.17 | 0.63 | 0.86 | 1.55 | 1.88 | 0.91 | 0.95 | 1.32 | 1.26 | 1.05 | 0.87 | 1.58 | 0.87 | 0.73 | 0.97 | 0.78 | 1.61 | 1.31 | 1.02 | 1.02 | 1.26 | 0.97 | 1.28 | 0.92 | 1.15 | 0.68 | 0.76 | 0.63 | 0.92 | 0.64 | 1.12 | 0.95 | 0.99 | 0.87 | 1.03 | 1.15 | 0.68 | 1.01 | 0.72 | 0.63 | 1.33 | 0.99 | 1.29 | 1.32 | 0.70 | 1.18 | 0.73 | 1.36 | 1.05 |
| L-Ornithine | ME1046014 | 0.64 | 1.26 | 1.13 | 1.44 | 1.42 | 0.97 | 1.18 | 1.06 | 0.43 | 1.12 | 0.81 | 0.60 | 0.98 | 0.84 | 0.81 | 0.66 | 0.88 | 1.44 | 1.91 | 0.85 | 1.10 | 0.41 | 0.87 | 1.18 | 1.14 | 1.33 | 0.71 | 0.91 | 1.09 | 1.23 | 0.95 | 0.58 | 1.02 | 0.97 | 1.32 | 1.04 | 0.79 | 1.44 | 0.94 | 1.19 | 0.94 | 0.82 | 0.88 | 1.23 | 1.65 | 1.49 | 1.22 | 1.86 | 0.67 | 0.90 | 1.60 | 0.68 | 0.97 | 1.27 | 0.70 | 1.51 | 1.28 | 1.27 | 1.11 | 0.76 | 0.74 | 0.97 |
| D-Homocysteine | ME1045993 | 0.96 | 1.14 | 0.96 | 0.81 | 0.92 | 1.18 | 1.31 | 0.80 | 1.71 | 0.96 | 1.10 | 1.05 | 0.77 | 0.60 | 1.20 | 0.73 | 0.83 | 0.80 | 0.69 | 0.82 | 0.71 | 0.96 | 0.74 | 0.77 | 1.05 | 0.85 | 0.68 | 1.54 | 1.09 | 0.91 | 1.02 | 1.02 | 1.23 | 1.03 | 1.46 | 1.08 | 1.15 | 1.33 | 1.18 | 0.79 | 0.84 | 0.72 | 0.97 | 0.75 | 1.67 | 0.97 | 1.18 | 1.19 | 0.96 | 1.49 | 1.67 | 0.65 | 0.81 | 0.87 | 1.12 | 0.84 | 0.93 | 0.95 | 0.76 | 1.09 | 0.83 | 1.22 |
| L-Citrulline | ME1046009 | 0.89 | 1.04 | 0.96 | 1.52 | 1.60 | 1.28 | 0.79 | 0.95 | 1.18 | 0.81 | 1.05 | 0.91 | 0.67 | 1.52 | 1.07 | 0.99 | 0.99 | 1.26 | 0.67 | 0.93 | 1.64 | 0.45 | 0.67 | 0.90 | 1.31 | 0.76 | 0.94 | 0.85 | 1.14 | 0.98 | 0.92 | 0.75 | 1.07 | 1.45 | 1.23 | 0.80 | 1.06 | 0.81 | 1.09 | 0.89 | 1.38 | 1.13 | 0.90 | 0.77 | 1.34 | 1.40 | 0.84 | 0.82 | 1.09 | 1.01 | 1.42 | 0.61 | 1.18 | 0.82 | 0.91 | 1.03 | 0.75 | 1.11 | 0.84 | 0.81 | 1.08 | 1.02 |
| N-Acetylaspartate | ME1046024 | 1.02 | 0.93 | 1.02 | 1.57 | 1.04 | 0.72 | 1.30 | 0.83 | 1.15 | 0.96 | 1.26 | 1.19 | 0.90 | 1.31 | 1.02 | 0.79 | 0.69 | 0.96 | 0.57 | 1.12 | 1.42 | 1.25 | 0.68 | 0.80 | 0.82 | 0.87 | 1.14 | 1.38 | 0.97 | 1.46 | 1.03 | 0.82 | 1.01 | 1.48 | 1.38 | 0.68 | 0.76 | 0.57 | 0.65 | 0.66 | 1.04 | 1.16 | 1.06 | 1.31 | 1.09 | 0.79 | 1.51 | 0.73 | 0.88 | 0.80 | 1.14 | 1.00 | 0.77 | 0.89 | 1.26 | 0.78 | 1.09 | 0.94 | 0.71 | 0.78 | 1.08 | 0.83 |
| Nα-Acetyl-L-Arginine | ME1046030 | 1.03 | 2.15 | 0.81 | 1.23 | 1.62 | 1.30 | 0.55 | 0.91 | 0.84 | 1.02 | 0.86 | 0.56 | 0.73 | 1.24 | 1.03 | 0.64 | 0.82 | 1.19 | 0.51 | 0.67 | 1.33 | 0.40 | 0.96 | 0.93 | 1.03 | 1.00 | 0.69 | 0.75 | 1.00 | 0.71 | 0.86 | 1.07 | 0.77 | 1.11 | 1.14 | 1.01 | 1.27 | 1.37 | 0.81 | 1.29 | 1.33 | 0.87 | 1.00 | 0.44 | 0.81 | 1.12 | 0.79 | 0.70 | 1.08 | 1.06 | 1.26 | 0.75 | 1.28 | 0.94 | 0.65 | 0.85 | 1.62 | 0.98 | 1.41 | 1.24 | 1.32 | 1.00 |
| Homo-Arg | ME1046003 | 1.25 | 1.10 | 1.18 | 0.97 | 1.25 | 1.54 | 1.00 | 1.01 | 0.45 | 0.82 | 0.78 | 0.63 | 0.81 | 1.20 | 0.97 | 1.07 | 1.14 | 1.06 | 0.83 | 0.76 | 0.79 | 0.53 | 1.29 | 0.98 | 1.00 | 1.02 | 0.93 | 0.62 | 1.15 | 0.66 | 1.06 | 0.74 | 0.78 | 0.82 | 0.92 | 0.86 | 1.14 | 1.91 | 0.78 | 1.20 | 1.14 | 0.53 | 0.67 | 0.85 | 0.86 | 1.42 | 0.82 | 1.16 | 0.81 | 0.99 | 1.06 | 1.12 | 1.51 | 0.78 | 0.60 | 0.64 | 0.80 | 1.28 | 1.16 | 0.75 | 0.95 | 0.90 |
| Arg | ME1045984 | 1.25 | 1.22 | 1.06 | 0.86 | 1.60 | 1.50 | 0.98 | 1.12 | 0.34 | 0.81 | 0.98 | 0.69 | 1.22 | 0.92 | 1.21 | 0.98 | 0.99 | 1.06 | 0.77 | 0.52 | 1.12 | 0.43 | 1.11 | 1.01 | 1.17 | 1.17 | 0.74 | 0.75 | 1.13 | 0.85 | 1.00 | 1.03 | 0.91 | 1.18 | 0.96 | 0.99 | 0.79 | 1.09 | 0.81 | 1.18 | 1.19 | 0.99 | 0.69 | 0.58 | 0.75 | 0.65 | 0.87 | 1.04 | 0.84 | 1.00 | 0.91 | 0.89 | 1.23 | 0.76 | 0.80 | 0.78 | 1.03 | 0.90 | 1.21 | 1.03 | 1.13 | 0.97 |
| L-Carnosine | ME1046008 | 1.01 | 1.02 | 1.02 | 1.01 | 1.05 | 1.01 | 1.02 | 1.02 | NA | 1.00 | 0.98 | 0.98 | 0.97 | 0.98 | 0.98 | 0.98 | 1.01 | 1.01 | 0.99 | 0.96 | 0.96 | NA | 0.99 | 1.00 | 0.99 | 1.03 | 0.98 | 0.99 | 0.99 | 1.02 | 0.99 | 1.00 | 0.99 | 0.98 | 0.99 | 0.99 | 0.99 | 1.04 | 1.05 | 1.03 | 1.02 | 0.97 | 0.96 | 0.99 | 0.99 | 0.98 | 1.00 | 1.00 | 0.97 | 1.00 | 1.02 | 1.02 | 1.02 | 0.97 | NA | 1.01 | 0.99 | 1.02 | 0.99 | 1.00 | 1.00 | 1.03 |
| (5-L-Glutamyl)-L-Alanine | ME1045967 | 0.79 | 0.87 | 0.86 | 0.95 | 1.65 | 1.40 | 0.93 | 0.74 | 0.42 | 0.42 | 0.87 | 0.42 | 1.02 | 0.64 | 0.81 | 0.67 | 1.18 | 1.92 | 1.50 | 0.72 | 1.00 | 0.62 | 0.96 | 0.91 | 1.00 | 1.37 | 1.22 | 1.73 | 1.11 | 1.27 | 0.73 | 1.18 | 0.84 | 1.20 | 1.49 | 1.10 | 1.26 | 1.07 | 1.56 | 1.13 | 0.61 | 0.57 | 0.55 | 1.70 | 1.17 | 1.36 | 0.92 | 1.51 | 1.04 | 1.17 | 0.87 | 0.80 | 1.18 | 0.81 | 0.96 | 0.91 | 1.41 | 0.94 | 0.95 | 0.78 | 1.32 | 0.86 |
| Ala | ME1045982 | 0.88 | 1.13 | 0.84 | 1.00 | 1.50 | 1.46 | 1.09 | 0.85 | 0.73 | 0.95 | 0.84 | 0.44 | 0.89 | 0.72 | 0.66 | 0.83 | 1.29 | 1.56 | 1.08 | 0.91 | 1.17 | 1.27 | 0.93 | 0.82 | 0.90 | 1.08 | 0.95 | 1.50 | 1.06 | 1.24 | 0.78 | 1.15 | 0.85 | 1.05 | 1.22 | 0.97 | 1.15 | 0.85 | 1.37 | 0.95 | 0.78 | 0.79 | 0.64 | 1.28 | 1.24 | 1.21 | 0.77 | 1.31 | 1.09 | 0.97 | 0.83 | 0.78 | 1.06 | 1.14 | 1.00 | 1.05 | 1.28 | 0.89 | 1.09 | 0.86 | 1.25 | 0.87 |
| Pro | ME1046036 | 0.93 | 0.86 | 0.65 | 1.04 | 1.48 | 1.68 | 0.70 | 0.75 | 0.73 | 0.86 | 1.23 | 0.43 | 0.81 | 0.91 | 0.66 | 0.81 | 0.71 | 1.70 | 1.57 | 1.08 | 1.12 | 1.30 | 0.89 | 0.93 | 0.81 | 1.21 | 0.90 | 1.45 | 1.07 | 0.78 | 0.70 | 1.01 | 1.04 | 0.96 | 1.15 | 0.76 | 1.01 | 0.85 | 1.56 | 0.89 | 0.87 | 1.11 | 0.79 | 1.22 | 1.86 | 1.32 | 0.79 | 1.20 | 1.18 | 0.93 | 0.74 | 0.67 | 0.80 | 0.94 | 0.94 | 0.92 | 1.24 | 0.93 | 0.79 | 0.88 | 1.44 | 1.00 |
| 3-Aminoisobutanoic-Acid | ME1045972 | 0.81 | 0.99 | 0.90 | 0.87 | 1.53 | 1.11 | 1.31 | 1.01 | 1.30 | 0.98 | 1.10 | 0.77 | 0.60 | 0.94 | 0.82 | 0.89 | 1.03 | 0.97 | 0.82 | 1.36 | 1.08 | 0.83 | 0.79 | 1.08 | 1.32 | 1.26 | 1.24 | 1.48 | 0.97 | 1.21 | 1.30 | 0.53 | 0.82 | 1.00 | 1.50 | 1.52 | 0.91 | 1.05 | 1.71 | 0.99 | 0.72 | 1.04 | 0.80 | 1.56 | 1.03 | 1.27 | 1.18 | 1.24 | 0.57 | 0.70 | 0.93 | 0.44 | 0.91 | 0.90 | 1.18 | 0.81 | 0.91 | 0.99 | 0.85 | 0.62 | 1.34 | 0.92 |
| 1-Methylhistidine | ME1045970 | 1.05 | 1.03 | 0.86 | 0.90 | 1.62 | 0.90 | 1.04 | 0.96 | 0.54 | 1.05 | 1.16 | 0.77 | 0.91 | 1.37 | 0.90 | 0.56 | 1.33 | 1.06 | 0.93 | 1.06 | 0.96 | 0.40 | 0.87 | 0.98 | 1.26 | 1.32 | 0.91 | 0.67 | 1.08 | 0.86 | 0.67 | 0.81 | 0.80 | 0.72 | 0.95 | 1.29 | 1.13 | 1.32 | 1.16 | 1.24 | 0.81 | 0.70 | 1.54 | 0.71 | 0.99 | 1.44 | 1.52 | 1.25 | 0.57 | 1.03 | 1.40 | 0.66 | 1.06 | 0.57 | 0.63 | 0.80 | 0.93 | 1.49 | 0.92 | 1.10 | 1.22 | 0.85 |
| Urea | ME1046048 | 0.81 | 1.27 | 0.74 | 1.15 | 1.38 | 0.92 | 1.09 | 0.79 | 0.86 | 0.99 | 1.13 | 1.36 | 1.20 | 1.70 | 0.78 | 0.91 | 1.30 | 0.94 | 1.16 | 1.41 | 0.85 | 1.20 | 0.73 | 1.10 | 1.20 | 1.10 | 1.02 | 1.03 | 1.01 | 1.20 | 0.88 | 0.82 | 0.97 | 1.07 | 1.13 | 1.04 | 1.29 | 1.03 | 1.11 | 0.96 | 0.95 | 0.95 | 1.45 | 1.00 | 1.07 | 1.17 | 1.01 | 1.03 | 0.99 | 1.04 | 0.96 | 0.91 | 0.95 | 0.64 | 0.71 | 0.88 | 0.83 | 1.25 | 0.66 | 0.53 | 1.11 | 0.97 |
| kynurenine | ME1046007 | 0.95 | 1.17 | 1.08 | 1.15 | 1.55 | 0.81 | 0.92 | 0.58 | 1.25 | 0.79 | 0.81 | 0.68 | 1.10 | 1.23 | 0.85 | 0.64 | 1.12 | 1.02 | 0.84 | 0.89 | 1.20 | 1.31 | 1.03 | 1.33 | 1.04 | 1.32 | 1.18 | 0.89 | 0.98 | 0.90 | 0.73 | 0.69 | 0.70 | 0.83 | 1.47 | 1.29 | 1.00 | 1.09 | 1.19 | 1.35 | 1.01 | 0.90 | 0.81 | 1.26 | 1.19 | 1.47 | 0.70 | 1.33 | 0.73 | 0.93 | 0.99 | 0.79 | 0.91 | 0.91 | 0.91 | 0.79 | 1.03 | 1.29 | 0.97 | 0.70 | 1.21 | 0.70 |
| Met | ME1046019 | 1.03 | 1.23 | 0.82 | 0.52 | 1.42 | 0.92 | 1.36 | 0.90 | 0.64 | 0.70 | 0.65 | 0.51 | 0.77 | 1.10 | 0.94 | 0.76 | 0.59 | 1.59 | 0.61 | 0.95 | 1.14 | 2.12 | 1.00 | 0.94 | 1.03 | 1.40 | 0.80 | 1.08 | 1.29 | 1.05 | 0.72 | 1.15 | 0.76 | 0.87 | 1.18 | 0.90 | 1.01 | 1.33 | 1.17 | 1.11 | 0.76 | 0.86 | 0.72 | 0.88 | 1.39 | 1.33 | 1.41 | 1.24 | 0.82 | 1.01 | 0.77 | 0.95 | 0.89 | 1.04 | 1.03 | 0.74 | 0.70 | 1.10 | 1.45 | 0.73 | 1.12 | 0.74 |
| Ile | ME1046005 | 1.02 | 1.15 | 0.68 | 0.60 | 1.49 | 1.09 | 0.77 | 0.87 | 0.70 | 1.12 | 0.88 | 0.74 | 0.62 | 0.85 | 0.72 | 0.72 | 0.71 | 1.89 | 0.83 | 1.00 | 0.79 | 1.69 | 0.92 | 0.93 | 1.05 | 1.54 | 0.69 | 0.97 | 1.39 | 0.97 | 0.62 | 1.15 | 1.19 | 0.64 | 1.17 | 1.12 | 1.05 | 1.01 | 1.31 | 1.29 | 0.71 | 0.78 | 1.20 | 0.79 | 1.37 | 1.59 | 1.33 | 1.57 | 0.79 | 0.87 | 0.73 | 0.72 | 0.74 | 1.02 | 0.78 | 0.96 | 0.62 | 1.11 | 1.02 | 0.80 | 1.08 | 1.28 |
| Leu | ME1046011 | 0.99 | 0.94 | 0.78 | 0.67 | 1.63 | 1.19 | 0.96 | 0.91 | 0.67 | 1.00 | 0.82 | 0.81 | 0.79 | 0.93 | 0.84 | 0.85 | 0.68 | 1.74 | 0.83 | 0.98 | 0.74 | 1.43 | 1.06 | 1.00 | 1.12 | 1.48 | 0.72 | 0.96 | 1.22 | 0.89 | 0.69 | 1.23 | 1.05 | 0.77 | 1.07 | 1.12 | 0.97 | 1.18 | 1.13 | 1.21 | 0.68 | 0.77 | 1.11 | 0.96 | 1.26 | 1.43 | 1.24 | 1.86 | 0.75 | 0.79 | 0.85 | 0.88 | 0.82 | 1.06 | 0.96 | 1.10 | 0.65 | 1.17 | 0.91 | 0.68 | 1.02 | 1.06 |
| Val | ME1046049 | 0.96 | 1.06 | 0.73 | 0.68 | 1.46 | 1.17 | 0.88 | 0.90 | 0.88 | 1.14 | 0.87 | 0.80 | 0.77 | 1.09 | 0.74 | 0.78 | 0.82 | 1.72 | 0.81 | 1.14 | 0.75 | 1.47 | 1.12 | 0.90 | 1.18 | 1.46 | 0.80 | 0.79 | 1.19 | 0.92 | 0.73 | 1.15 | 1.21 | 0.76 | 1.29 | 1.11 | 1.01 | 1.16 | 1.05 | 1.19 | 0.72 | 0.70 | 1.11 | 1.05 | 1.16 | 1.26 | 1.12 | 1.54 | 0.87 | 0.82 | 0.79 | 0.77 | 0.82 | 1.14 | 0.91 | 1.18 | 0.69 | 1.16 | 0.90 | 0.77 | 1.03 | 1.20 |
| Methionine-Sulfoxide | ME1046020 | 0.82 | 1.19 | 1.01 | 0.94 | 1.07 | 0.72 | 0.89 | 0.87 | 0.76 | 1.02 | 1.00 | 0.77 | 0.87 | 1.06 | 0.82 | 0.68 | 1.28 | 1.44 | 0.96 | 0.97 | 1.22 | 1.16 | 1.12 | 1.05 | 0.97 | 1.18 | 1.04 | 1.05 | 1.00 | 0.98 | 0.77 | 0.94 | 0.99 | 0.97 | 1.28 | 0.78 | 0.87 | 1.10 | 1.16 | 1.00 | 1.00 | 1.16 | 0.93 | 1.42 | 1.29 | 1.21 | 1.44 | 1.40 | 1.09 | 1.09 | 0.85 | 0.83 | 0.84 | 1.04 | 1.07 | 0.97 | 0.76 | 0.82 | 1.55 | 0.95 | 1.18 | 0.97 |
| N6-Acetyl-L-Lysine | ME1046022 | 0.89 | 0.98 | 0.83 | 0.93 | 1.23 | 0.87 | 1.08 | 0.81 | 1.18 | 1.16 | 0.89 | 0.66 | 0.94 | 1.02 | 0.82 | 0.73 | 1.09 | 1.48 | 1.09 | 1.10 | 1.12 | 1.60 | 0.82 | 1.01 | 0.84 | 1.18 | 0.93 | 1.10 | 1.05 | 0.96 | 0.76 | 0.84 | 0.85 | 0.80 | 1.00 | 1.04 | 1.03 | 0.82 | 1.52 | 0.96 | 0.89 | 1.15 | 1.05 | 1.25 | 1.15 | 1.51 | 1.37 | 1.46 | 0.78 | 0.98 | 1.09 | 0.72 | 0.88 | 1.00 | 0.98 | 0.85 | 0.84 | 1.00 | 1.15 | 0.73 | 1.25 | 0.88 |
| Trp | ME1046045 | 0.98 | 0.99 | 0.83 | 0.83 | 1.22 | 0.96 | 1.01 | 0.80 | 0.96 | 0.86 | 0.74 | 0.73 | 0.83 | 1.00 | 0.92 | 0.79 | 0.83 | 1.12 | 0.70 | 1.13 | 1.14 | 1.32 | 1.01 | 1.14 | 1.09 | 1.28 | 1.14 | 0.87 | 1.20 | 1.20 | 0.90 | 1.40 | 1.01 | 0.78 | 1.23 | 1.12 | 1.02 | 1.12 | 1.05 | 1.11 | 0.96 | 0.86 | 0.86 | 1.00 | 1.17 | 1.27 | 1.21 | 1.05 | 1.03 | 0.98 | 0.73 | 0.87 | 0.93 | 1.11 | 0.89 | 0.91 | 0.90 | 1.09 | 1.04 | 0.74 | 1.15 | 1.02 |
| Phe | ME1046034 | 0.93 | 1.06 | 0.71 | 0.95 | 1.44 | 0.95 | 1.00 | 0.92 | 1.03 | 1.17 | 0.73 | 0.80 | 0.83 | 1.00 | 0.80 | 0.73 | 0.99 | 1.46 | 0.81 | 1.19 | 1.17 | 1.26 | 0.99 | 1.11 | 1.06 | 1.16 | 0.80 | 1.23 | 1.16 | 0.97 | 0.72 | 1.07 | 0.69 | 0.93 | 0.96 | 0.97 | 0.83 | 1.15 | 1.09 | 1.02 | 0.81 | 0.98 | 0.95 | 1.14 | 1.47 | 1.39 | 1.29 | 1.44 | 0.85 | 0.92 | 0.93 | 0.95 | 0.81 | 1.28 | 1.14 | 0.99 | 0.80 | 1.00 | 1.08 | 0.65 | 1.16 | 0.76 |
| Tyr | ME1046047 | 0.93 | 0.99 | 0.93 | 0.82 | 1.54 | 1.08 | 1.07 | 0.90 | 0.92 | 0.89 | 0.71 | 0.67 | 0.97 | 0.81 | 0.83 | 0.79 | 1.14 | 1.22 | 0.81 | 1.23 | 1.08 | 1.56 | 1.11 | 1.03 | 0.90 | 1.38 | 0.71 | 1.11 | 1.12 | 0.90 | 0.84 | 1.00 | 0.62 | 1.00 | 1.21 | 1.09 | 0.81 | 1.18 | 1.19 | 1.08 | 1.02 | 0.73 | 0.72 | 0.99 | 1.65 | 1.49 | 1.08 | 1.40 | 1.23 | 0.83 | 0.81 | 1.17 | 1.00 | 1.25 | 0.86 | 0.92 | 0.80 | 0.91 | 1.26 | 0.63 | 1.06 | 0.61 |
| Gly | ME1045998 | 1.09 | 0.87 | 0.93 | 1.10 | 0.98 | 0.96 | 1.08 | 1.19 | 1.49 | 1.22 | 1.72 | 0.79 | 1.10 | 0.83 | 0.98 | 0.81 | 0.75 | 1.00 | 0.78 | 1.05 | 1.50 | 1.16 | 0.82 | 0.84 | 0.92 | 0.80 | 1.03 | 1.10 | 0.95 | 1.40 | 0.89 | 0.81 | 1.00 | 1.17 | 0.71 | 0.80 | 0.86 | 0.76 | 1.07 | 0.98 | 0.90 | 0.93 | 0.97 | 1.11 | 0.95 | 0.66 | 0.96 | 1.15 | 0.88 | 1.08 | 0.82 | 0.62 | 0.74 | 1.02 | 0.92 | 1.31 | 1.11 | 0.85 | 1.17 | 0.90 | 0.83 | 1.04 |
| Thr | ME1046042 | 1.06 | 1.06 | 1.17 | 0.88 | 1.20 | 0.79 | 0.94 | 0.86 | 0.63 | 0.74 | 0.92 | 0.50 | 0.80 | 0.94 | 1.20 | 0.89 | 0.70 | 1.32 | 0.92 | 0.93 | 1.30 | 1.85 | 1.00 | 0.95 | 0.90 | 1.20 | 0.97 | 1.14 | 0.90 | 1.01 | 0.81 | 0.96 | 0.92 | 0.85 | 0.80 | 0.83 | 1.27 | 1.24 | 0.93 | 1.03 | 0.95 | 0.81 | 0.87 | 0.91 | 1.07 | 0.86 | 1.01 | 1.03 | 1.16 | 0.91 | 1.05 | 0.75 | 1.06 | 1.12 | 0.88 | 0.93 | 1.13 | 0.94 | 1.72 | 1.15 | 0.89 | 0.95 |
| Asn | ME1045985 | 1.01 | 1.67 | 1.04 | 1.19 | 1.12 | 0.91 | 1.20 | 0.92 | 0.77 | 1.14 | 0.90 | 0.69 | 0.86 | 0.98 | 1.04 | 0.80 | 0.74 | 0.98 | 0.83 | 1.00 | 1.39 | 0.97 | 0.97 | 0.94 | 1.02 | 0.99 | 0.98 | 1.16 | 1.04 | 1.06 | 0.87 | 0.92 | 0.98 | 0.96 | 0.89 | 0.89 | 0.93 | 1.14 | 0.95 | 1.08 | 0.75 | 0.78 | 0.94 | 1.03 | 1.04 | 0.91 | 1.15 | 1.06 | 0.93 | 1.03 | 0.97 | 0.83 | 0.94 | 1.19 | 1.06 | 0.85 | 0.96 | 1.11 | 1.54 | 0.92 | 0.95 | 1.02 |
| Ser | ME1046039 | 1.14 | 0.89 | 1.15 | 0.85 | 1.19 | 0.65 | 1.29 | 1.30 | 0.77 | 1.01 | 0.98 | 0.93 | 0.93 | 0.77 | 0.99 | 1.05 | 0.81 | 1.06 | 0.93 | 0.94 | 1.25 | 1.28 | 0.90 | 1.06 | 0.93 | 0.88 | 0.91 | 1.34 | 0.80 | 1.12 | 0.93 | 0.76 | 0.96 | 0.87 | 0.74 | 0.89 | 0.91 | 1.03 | 0.84 | 0.96 | 0.78 | 1.02 | 0.92 | 1.07 | 1.17 | 0.75 | 1.14 | 1.02 | 0.84 | 0.83 | 1.09 | 0.80 | 0.72 | 1.13 | 1.34 | 1.09 | 1.10 | 0.76 | 1.26 | 0.94 | 0.94 | 1.01 |
| Lys | ME1046018 | 0.94 | 1.22 | 1.17 | 0.83 | 1.27 | 1.00 | 1.37 | 0.81 | 0.41 | 0.77 | 0.89 | 0.67 | 1.03 | 1.03 | 1.08 | 0.90 | 0.84 | 1.19 | 0.98 | 0.83 | 0.90 | 0.74 | 1.16 | 1.10 | 1.13 | 1.34 | 0.82 | 0.58 | 1.23 | 1.07 | 1.03 | 1.07 | 0.93 | 1.00 | 1.04 | 1.18 | 0.94 | 1.24 | 0.78 | 1.13 | 0.61 | 0.68 | 0.99 | 0.96 | 1.18 | 1.09 | 1.19 | 1.58 | 0.90 | 0.92 | 1.22 | 0.86 | 0.80 | 1.05 | 1.12 | 1.15 | 1.02 | 1.48 | 1.23 | 0.79 | 1.12 | 0.98 |
| Glycyl-L-Proline | ME1045999 | 1.04 | 0.84 | 0.94 | 0.96 | 1.14 | 0.98 | 0.96 | 0.97 | 0.94 | 0.88 | 0.91 | 0.86 | 1.01 | 0.88 | 0.87 | 1.01 | 0.99 | 1.30 | 1.07 | 1.07 | 0.98 | NA | 0.83 | 0.92 | 0.97 | 1.05 | 0.95 | 1.07 | 0.90 | 1.01 | 0.85 | 1.34 | 0.88 | 0.87 | 1.38 | 0.87 | 1.00 | 0.91 | 1.64 | 0.94 | 0.95 | 0.89 | 0.94 | 1.15 | 1.00 | 0.99 | 1.27 | 1.05 | 0.89 | 0.94 | 0.90 | 1.04 | 0.97 | 0.96 | 0.94 | 1.04 | 0.86 | 0.95 | 0.95 | 0.85 | 1.05 | 1.16 |
| 5-Hydroxylysine | ME1045979 | 0.98 | 0.97 | 0.97 | 0.97 | 1.02 | 0.98 | 0.98 | 1.00 | 0.93 | 1.14 | 0.97 | 0.94 | 0.98 | 0.99 | 0.97 | 0.96 | 1.11 | 1.20 | 0.95 | 1.04 | 0.97 | 1.23 | 0.97 | 0.96 | 0.96 | 0.97 | 0.96 | 1.01 | 0.95 | 0.97 | 0.95 | 0.97 | 0.95 | 0.98 | 0.98 | 0.99 | 0.97 | 0.99 | 0.99 | 0.99 | 1.04 | 0.96 | 1.04 | 1.05 | 1.04 | 0.97 | 1.01 | 1.59 | 0.95 | 1.06 | 1.01 | 0.97 | 0.96 | 1.02 | 0.94 | 0.97 | 0.97 | 0.95 | 0.99 | 0.96 | 1.02 | 0.97 |
| Ethanolamine | ME1045994 | 1.09 | 0.82 | 0.86 | 0.86 | 1.30 | 1.12 | 1.03 | 1.06 | 0.95 | 1.20 | 0.93 | 0.82 | 1.06 | 0.92 | 0.97 | 0.79 | 0.81 | 1.02 | 1.04 | 0.96 | 0.97 | 1.08 | 1.07 | 0.98 | 1.12 | 0.93 | 0.82 | 0.95 | 0.82 | 1.27 | 0.74 | 0.83 | 0.95 | 0.95 | 1.06 | 1.12 | 0.90 | 1.06 | 0.99 | 1.05 | 0.75 | 0.85 | 0.93 | 1.32 | 1.02 | 1.22 | 1.22 | 1.48 | 0.62 | 0.92 | 0.89 | 1.09 | 0.85 | 1.22 | 1.22 | 1.08 | 0.94 | 1.08 | 0.65 | 0.82 | 0.87 | 0.90 |
| S-(5-Adenosyl)-L-Homocysteine | ME1046037 | 1.34 | 0.85 | 0.93 | 1.22 | 1.48 | 0.93 | 0.98 | 1.03 | 0.79 | 1.07 | 0.93 | 0.82 | 0.84 | 0.88 | 0.86 | 0.80 | 0.93 | 1.05 | 0.87 | 0.88 | 0.90 | 0.70 | 0.94 | 1.01 | 1.05 | 0.95 | 0.92 | 0.80 | 1.02 | 1.03 | 0.83 | 0.93 | 0.91 | 0.83 | 0.90 | 0.91 | 0.88 | 0.95 | 0.89 | 1.09 | 0.90 | 0.73 | 0.81 | 0.87 | 0.97 | 0.99 | 1.03 | 1.22 | 0.77 | 0.81 | 1.25 | 0.95 | 1.01 | 0.90 | 0.88 | 1.02 | 1.08 | 1.09 | 0.93 | 0.94 | 0.94 | 0.89 |
| Gln | ME1045995 | 1.00 | 1.04 | 1.00 | 1.02 | 1.13 | 1.19 | 0.99 | 1.09 | 0.97 | 0.84 | 0.95 | 0.89 | 1.00 | 0.89 | 1.14 | 1.16 | 0.90 | 1.03 | 0.86 | 0.86 | 1.05 | 0.64 | 1.05 | 1.11 | 1.16 | 1.05 | 1.08 | 1.06 | 0.96 | 1.06 | 1.08 | 1.04 | 1.00 | 1.03 | 1.03 | 0.86 | 1.01 | 1.06 | 0.98 | 1.04 | 1.02 | 1.06 | 0.96 | 0.97 | 1.00 | 0.87 | 0.91 | 0.96 | 0.95 | 1.10 | 0.87 | 0.93 | 1.21 | 0.79 | 1.05 | 0.95 | 1.00 | 1.13 | 1.02 | 0.96 | 1.01 | 1.00 |
| His | ME1046002 | 1.03 | 0.95 | 0.95 | 1.36 | 1.22 | 1.24 | 1.14 | 0.98 | 0.54 | 1.23 | 0.84 | 0.75 | 0.97 | 0.86 | 1.01 | 1.04 | 0.93 | 0.87 | 0.91 | 1.03 | 1.01 | 0.48 | 1.04 | 1.09 | 1.09 | 0.94 | 1.03 | 1.04 | 1.00 | 1.13 | 0.96 | 1.20 | 0.98 | 0.97 | 0.93 | 0.86 | 0.93 | 1.20 | 0.96 | 1.01 | 0.83 | 1.05 | 0.88 | 0.91 | 0.96 | 0.89 | 1.02 | 1.00 | 0.94 | 0.99 | 0.89 | 1.14 | 1.18 | 0.85 | 1.00 | 1.19 | 0.91 | 1.21 | 1.13 | 0.99 | 1.02 | 1.06 |
Factors:
| F1 | Sample source:serum | Group1:HC | Group2:1 |
| F2 | Sample source:serum | Group1:IBS-C-10 | Group2:1 |
| F3 | Sample source:serum | Group1:IBS-C-11 | Group2:1 |
| F4 | Sample source:serum | Group1:IBS-C-12 | Group2:1 |
| F5 | Sample source:serum | Group1:IBS-C-13 | Group2:1 |
| F6 | Sample source:serum | Group1:IBS-C-14 | Group2:1 |
| F7 | Sample source:serum | Group1:IBS-C-15 | Group2:1 |
| F8 | Sample source:serum | Group1:IBS-C-16 | Group2:1 |
| F9 | Sample source:serum | Group1:IBS-C-1 | Group2:1 |
| F10 | Sample source:serum | Group1:IBS-C-2 | Group2:1 |
| F11 | Sample source:serum | Group1:IBS-C-3 | Group2:1 |
| F12 | Sample source:serum | Group1:IBS-C-4 | Group2:1 |
| F13 | Sample source:serum | Group1:IBS-C-5 | Group2:1 |
| F14 | Sample source:serum | Group1:IBS-C-6 | Group2:1 |
| F15 | Sample source:serum | Group1:IBS-C-7 | Group2:1 |
| F16 | Sample source:serum | Group1:IBS-C-8 | Group2:1 |
| F17 | Sample source:serum | Group1:IBS-C-9 | Group2:1 |
| F18 | Sample source:serum | Group1:IBS-D-10 | Group2:1 |
| F19 | Sample source:serum | Group1:IBS-D-11 | Group2:1 |
| F20 | Sample source:serum | Group1:IBS-D-12 | Group2:1 |
| F21 | Sample source:serum | Group1:IBS-D-13 | Group2:1 |
| F22 | Sample source:serum | Group1:IBS-D-14 | Group2:1 |
| F23 | Sample source:serum | Group1:IBS-D-15 | Group2:1 |
| F24 | Sample source:serum | Group1:IBS-D-16 | Group2:1 |
| F25 | Sample source:serum | Group1:IBS-D-17 | Group2:1 |
| F26 | Sample source:serum | Group1:IBS-D-18 | Group2:1 |
| F27 | Sample source:serum | Group1:IBS-D-19 | Group2:1 |
| F28 | Sample source:serum | Group1:IBS-D-1 | Group2:1 |
| F29 | Sample source:serum | Group1:IBS-D-20 | Group2:1 |
| F30 | Sample source:serum | Group1:IBS-D-21 | Group2:1 |
| F31 | Sample source:serum | Group1:IBS-D-22 | Group2:1 |
| F32 | Sample source:serum | Group1:IBS-D-23 | Group2:1 |
| F33 | Sample source:serum | Group1:IBS-D-24 | Group2:1 |
| F34 | Sample source:serum | Group1:IBS-D-25 | Group2:1 |
| F35 | Sample source:serum | Group1:IBS-D-26 | Group2:1 |
| F36 | Sample source:serum | Group1:IBS-D-27 | Group2:1 |
| F37 | Sample source:serum | Group1:IBS-D-28 | Group2:1 |
| F38 | Sample source:serum | Group1:IBS-D-29 | Group2:1 |
| F39 | Sample source:serum | Group1:IBS-D-2 | Group2:1 |
| F40 | Sample source:serum | Group1:IBS-D-30 | Group2:1 |
| F41 | Sample source:serum | Group1:IBS-D-31 | Group2:1 |
| F42 | Sample source:serum | Group1:IBS-D-3 | Group2:1 |
| F43 | Sample source:serum | Group1:IBS-D-4 | Group2:1 |
| F44 | Sample source:serum | Group1:IBS-D-5 | Group2:1 |
| F45 | Sample source:serum | Group1:IBS-D-6 | Group2:1 |
| F46 | Sample source:serum | Group1:IBS-D-7 | Group2:1 |
| F47 | Sample source:serum | Group1:IBS-D-8 | Group2:1 |
| F48 | Sample source:serum | Group1:IBS-D-9 | Group2:1 |
| F49 | Sample source:serum | Group1:IBS-M-10 | Group2:1 |
| F50 | Sample source:serum | Group1:IBS-M-11 | Group2:1 |
| F51 | Sample source:serum | Group1:IBS-M-12 | Group2:1 |
| F52 | Sample source:serum | Group1:IBS-M-13 | Group2:1 |
| F53 | Sample source:serum | Group1:IBS-M-14 | Group2:1 |
| F54 | Sample source:serum | Group1:IBS-M-1 | Group2:1 |
| F55 | Sample source:serum | Group1:IBS-M-2 | Group2:1 |
| F56 | Sample source:serum | Group1:IBS-M-3 | Group2:1 |
| F57 | Sample source:serum | Group1:IBS-M-4 | Group2:1 |
| F58 | Sample source:serum | Group1:IBS-M-5 | Group2:1 |
| F59 | Sample source:serum | Group1:IBS-M-6 | Group2:1 |
| F60 | Sample source:serum | Group1:IBS-M-7 | Group2:1 |
| F61 | Sample source:serum | Group1:IBS-M-8 | Group2:1 |
| F62 | Sample source:serum | Group1:IBS-M-9 | Group2:1 |