Clustering data with hclust algorithm for (Study ST003315)
Reversed phase POSITIVE ION MODE (Analysis AN005429)| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Serotonin | ME869763 | 0.09 | 1.20 | 0.10 | 3.09 | 1.54 | 0.07 | 0.19 | 0.13 | 0.14 | 0.09 | 0.12 | 1.01 | 0.12 | 0.15 | 0.07 | 0.06 | 1.13 | 5.20 | 0.37 | 1.43 | 0.08 | 0.06 | 0.14 | 0.06 | 0.15 | 0.13 | 0.11 | 3.53 | 0.06 | 9.42 | NA | 0.01 | 0.10 | NA | 0.02 | 2.76 | 0.27 | 0.16 | 0.07 | 0.01 | 0.02 | 0.08 |
| g-Oxalo-crotonate | ME869761 | 0.41 | 0.94 | 0.64 | 1.22 | 0.70 | 0.64 | 0.87 | 0.98 | 2.02 | 2.33 | 0.49 | 0.39 | 0.49 | 0.41 | 0.56 | 0.44 | 0.70 | 0.99 | 0.75 | 0.42 | 0.71 | 0.41 | 0.75 | 0.39 | 0.35 | 3.28 | 0.73 | 1.44 | 4.66 | 2.01 | 0.22 | 0.33 | 0.44 | 0.28 | 0.51 | 3.06 | 0.07 | 0.60 | 7.24 | 2.96 | 1.50 | 1.10 |
| Indole-3-acetate | ME869756 | 0.58 | 0.77 | 0.80 | 0.80 | 0.98 | 0.77 | 0.92 | 0.79 | 0.85 | 1.93 | 1.01 | 1.88 | 0.92 | 0.83 | 0.83 | 0.54 | 0.72 | 0.72 | 0.54 | 1.01 | 1.09 | 0.68 | 0.44 | 0.80 | 1.04 | 1.04 | 0.78 | 1.24 | 0.65 | 0.89 | 0.55 | 0.63 | 0.46 | 0.18 | 0.29 | 1.65 | 2.50 | 8.56 | 1.32 | 0.61 | 1.30 | 0.60 |
| Anthranilate | ME869759 | 0.83 | 1.65 | 0.14 | 1.87 | 0.32 | 0.69 | 0.41 | 0.88 | 0.27 | 0.98 | 1.07 | 0.82 | 0.64 | 2.31 | 1.92 | 1.84 | 0.59 | 0.74 | 0.31 | 0.88 | 0.46 | 0.27 | 0.08 | 0.05 | 2.74 | 3.45 | 1.03 | 1.02 | 3.74 | 1.09 | 0.51 | 0.28 | 2.97 | 0.68 | 0.70 | 0.32 | 0.00 | 0.01 | 0.34 | 0.72 | 3.14 | 4.37 |
| 4-Acetamidobutanoate | ME869749 | 1.36 | 0.55 | 0.17 | 0.80 | 1.36 | 0.48 | 0.53 | 0.63 | 0.75 | 0.72 | 0.83 | 1.07 | 1.73 | 1.10 | 0.53 | 0.66 | 0.71 | 0.54 | 0.45 | 1.35 | 2.02 | 0.41 | 0.23 | 1.34 | 2.39 | 2.74 | 0.21 | 0.95 | 0.30 | 5.43 | 0.32 | 0.40 | 0.25 | 0.25 | 0.19 | 0.57 | 0.85 | 0.10 | 3.55 | 0.46 | 1.01 | 0.35 |
| acyl-C4-OH | ME869772 | 1.12 | 0.74 | 0.88 | 1.16 | 1.40 | 0.90 | 1.86 | 0.72 | 1.07 | 1.08 | 0.45 | 0.83 | 0.47 | 0.70 | 0.30 | 0.31 | 0.89 | 2.35 | 0.55 | 2.88 | 1.10 | 0.35 | 1.75 | 1.68 | 4.55 | 3.31 | 1.17 | 0.11 | 0.81 | 0.20 | 0.61 | 0.19 | 0.37 | 0.10 | 0.06 | 0.20 | 0.34 | 0.08 | 1.26 | 0.84 | 1.18 | 0.14 |
| ITP | ME869734 | 0.94 | 1.28 | 0.83 | 0.68 | 0.94 | 1.49 | 1.17 | 1.46 | 0.86 | 1.06 | 1.42 | 0.50 | 0.72 | 0.74 | 1.33 | 0.64 | 0.86 | 0.68 | 0.75 | 0.68 | 1.08 | 0.10 | 1.26 | NA | 0.85 | 0.29 | NA | 0.83 | 0.64 | 1.31 | NA | 1.34 | NA | 1.25 | 0.48 | 1.43 | 2.04 | 1.66 | 2.28 | 2.05 | 0.51 | 0.59 |
| L-octanoylcarnitine (acyl-C8) | ME869775 | 0.92 | 0.76 | 0.52 | 0.86 | 1.37 | 2.43 | 0.39 | 0.73 | 0.97 | 0.47 | 1.03 | 2.19 | 0.40 | 0.71 | 2.19 | 0.45 | 0.87 | 0.59 | 0.42 | 0.77 | 0.70 | 0.53 | 1.00 | 0.18 | 1.43 | 2.15 | 3.00 | 1.09 | 1.19 | 0.95 | 0.59 | 0.32 | 0.71 | 1.04 | 1.01 | 0.85 | 0.72 | 0.45 | 1.47 | 0.64 | 0.30 | 0.42 |
| hexanoyl-L-carnitine (acyl-C6) | ME869774 | 0.98 | 0.89 | 0.68 | 0.70 | 1.21 | 3.11 | 0.41 | 0.85 | 0.93 | 0.67 | 1.02 | 1.39 | 0.67 | 0.59 | 1.28 | 0.50 | 0.78 | 0.80 | 0.52 | 0.70 | 0.85 | 0.86 | 0.84 | 0.58 | 1.09 | 1.42 | 2.44 | 1.09 | 1.37 | 1.08 | 0.66 | 0.48 | 0.44 | 1.19 | 0.86 | 0.97 | 1.12 | 1.14 | 1.16 | 1.16 | 0.29 | 0.51 |
| O-Decenoyl-L-carnitine (acyl-C10:1) | ME869777 | 0.92 | 0.75 | 0.55 | 1.31 | 1.25 | 2.31 | 0.42 | 1.02 | 1.07 | 0.62 | 0.87 | 1.73 | 0.46 | 0.80 | 1.45 | 0.42 | 1.02 | 0.85 | 0.53 | 0.91 | 0.70 | 0.74 | 0.99 | 0.27 | 0.99 | 1.22 | 2.85 | 1.03 | 1.01 | 1.09 | 0.62 | 0.53 | 0.70 | 1.35 | 0.91 | 0.89 | 1.09 | 0.66 | 1.36 | 1.24 | 0.33 | 0.44 |
| octenoyl-l-carnitine (acyl-C8:1) | ME869776 | 1.37 | 1.08 | 0.77 | 1.26 | 0.87 | 1.50 | 0.45 | 1.53 | 1.17 | 0.73 | 0.89 | 0.96 | 0.55 | 0.82 | 0.72 | 0.37 | 1.03 | 1.05 | 0.77 | 0.69 | 1.14 | 1.23 | 0.52 | 0.45 | 0.63 | 0.43 | 1.14 | 1.24 | 0.63 | 1.45 | 2.42 | 1.48 | 0.58 | 1.74 | 1.44 | 0.67 | 1.95 | 1.11 | 1.83 | 1.55 | 0.78 | 0.81 |
| L-Homocysteine | ME869743 | 1.00 | 0.93 | 0.54 | 1.54 | 0.95 | 0.98 | 0.60 | 0.80 | 0.85 | 1.00 | 1.57 | 2.02 | 0.62 | 0.82 | 1.25 | 0.72 | 1.22 | 0.94 | 0.97 | 0.89 | 1.08 | 0.98 | 0.43 | 0.28 | 0.56 | 1.08 | 0.33 | 0.75 | 2.06 | 0.78 | 1.11 | 2.33 | 1.38 | 0.35 | 0.54 | 1.02 | 0.83 | 0.44 | 0.81 | 1.37 | 0.83 | 0.59 |
| acyl-C5:1 | ME869773 | 0.62 | 0.96 | 1.18 | 1.28 | 0.89 | 0.97 | 0.65 | 1.34 | 1.19 | 1.09 | 1.58 | 0.85 | 0.87 | 1.86 | 1.24 | 0.75 | 0.75 | 0.56 | 0.56 | 1.13 | 1.62 | 0.83 | 1.71 | 0.83 | 1.06 | 0.84 | 0.50 | 0.89 | 0.32 | 1.34 | 1.09 | 0.35 | 0.90 | 0.68 | 0.45 | 1.43 | 1.32 | 0.87 | 0.91 | 0.68 | 1.62 | NA |
| glycine | ME869722 | 0.79 | 0.81 | 0.69 | 0.95 | 0.95 | 1.12 | 0.94 | 0.98 | 0.79 | 0.72 | 0.97 | 1.19 | 0.84 | 1.15 | 0.86 | 0.67 | 1.01 | 1.37 | 0.88 | 1.45 | 0.72 | 0.64 | 1.13 | 1.01 | 1.80 | 1.67 | 1.61 | 0.82 | 1.77 | 0.83 | 0.53 | 0.62 | 1.09 | 0.82 | 0.65 | 0.79 | 1.08 | 1.40 | 1.19 | 1.85 | 0.79 | 0.65 |
| Guanidinoacetate | ME869750 | 1.18 | 0.87 | 0.84 | 1.44 | 0.96 | 0.75 | 0.85 | 0.89 | 1.14 | 1.01 | 0.88 | 1.05 | 0.93 | 1.16 | 0.87 | 0.96 | 0.91 | 1.52 | 0.89 | 1.25 | 0.74 | 0.63 | 0.82 | 0.70 | 1.32 | 1.17 | 1.12 | 1.02 | 1.57 | 1.10 | 0.89 | 0.35 | 1.65 | 0.36 | 0.37 | 0.77 | 1.62 | 1.85 | 1.35 | 1.05 | 1.11 | 0.77 |
| N-Methylethanolamine phosphate | ME869764 | 1.12 | 1.19 | 0.90 | 1.30 | 0.87 | 0.90 | 0.79 | 1.18 | 1.75 | 1.26 | 0.84 | 1.08 | 0.55 | 0.98 | 0.91 | 0.79 | 1.11 | 0.99 | 1.06 | 0.90 | 0.69 | 0.45 | 1.09 | 0.49 | 1.12 | 1.26 | 0.76 | 0.82 | 0.77 | 1.00 | 1.84 | 1.12 | 0.93 | 0.61 | 0.62 | 1.35 | 0.90 | 0.68 | 1.61 | 0.89 | 0.76 | 0.76 |
| serine | ME869729 | 0.83 | 1.15 | 0.67 | 1.01 | 1.04 | 1.18 | 0.77 | 0.91 | 0.98 | 0.67 | 0.89 | 1.42 | 0.75 | 1.12 | 1.10 | 0.82 | 0.92 | 1.18 | 0.92 | 1.29 | 0.76 | 0.75 | 1.15 | 1.12 | 1.05 | 0.90 | 1.11 | 0.83 | 1.46 | 0.82 | 1.14 | 0.98 | 0.70 | 0.69 | 0.83 | 1.49 | 1.34 | 1.42 | 0.96 | 1.41 | 0.90 | 0.87 |
| acetyl-carnitine (acyl-C2) | ME869769 | 0.79 | 1.07 | 0.94 | 1.14 | 1.02 | 1.00 | 0.81 | 1.09 | 1.01 | 0.99 | 1.29 | 1.01 | 1.03 | 0.85 | 0.92 | 0.78 | 0.97 | 0.94 | 0.95 | 0.83 | 0.88 | 1.34 | 1.81 | 1.24 | 0.85 | 0.75 | 1.03 | 1.00 | 1.38 | 0.89 | 0.72 | 0.70 | 0.77 | 0.76 | 0.80 | 1.00 | 1.59 | 1.21 | 1.85 | 1.33 | 0.70 | 1.10 |
| Dimethylglycine | ME869744 | 0.80 | 0.94 | 1.10 | 0.95 | 0.90 | 1.18 | 0.85 | 1.03 | 1.23 | 1.19 | 0.91 | 1.03 | 0.98 | 1.08 | 0.90 | 0.77 | 1.00 | 0.88 | 0.83 | 0.87 | 0.99 | 0.93 | 1.59 | 1.18 | 0.83 | 0.94 | 1.04 | 0.95 | 0.88 | 0.92 | 1.16 | 0.81 | 0.70 | 0.75 | 1.21 | 1.18 | 1.70 | 1.90 | 1.24 | 1.55 | 0.86 | 0.98 |
| IDP | ME869735 | 0.87 | 0.91 | 0.49 | 0.90 | 1.23 | 0.93 | 0.87 | 1.04 | 1.04 | 0.92 | 1.27 | 1.62 | 0.94 | 0.81 | 0.90 | 0.86 | 0.62 | 1.19 | 0.60 | 0.65 | 1.57 | 0.70 | 1.12 | 0.67 | 1.28 | 0.89 | 0.61 | 1.16 | 0.84 | 0.85 | 1.03 | 1.59 | 1.24 | 1.22 | 2.10 | 1.24 | 0.60 | 1.42 | 1.85 | 1.13 | 0.88 | 1.05 |
| L-Cysteate | ME869753 | 0.85 | 1.00 | 0.99 | 1.03 | 1.09 | 0.89 | 1.08 | 0.91 | 1.39 | 1.19 | 1.11 | 1.14 | 0.98 | 0.91 | 1.04 | 0.82 | 0.86 | 1.12 | 0.87 | 0.81 | 0.97 | 0.97 | 1.04 | 0.80 | 0.94 | 0.86 | 0.97 | 0.85 | 1.04 | 1.03 | 1.73 | 1.50 | 0.94 | 1.16 | 1.42 | 1.10 | 0.66 | 0.90 | 1.21 | 0.80 | 0.82 | 0.83 |
| 2-Oxoglutarate | ME869741 | 0.80 | 1.04 | 0.69 | 0.80 | 1.19 | 0.97 | 0.90 | 0.98 | 1.36 | 0.96 | 1.27 | 1.39 | 0.96 | 0.93 | 0.87 | 0.80 | 0.80 | 0.97 | 0.72 | 0.70 | 1.10 | 0.93 | 1.26 | 0.91 | 1.15 | 0.96 | 1.04 | 1.12 | 0.91 | 0.75 | 1.22 | 1.34 | 0.96 | 1.67 | 1.65 | 0.93 | 0.69 | 1.40 | 1.15 | 1.04 | 0.81 | 1.08 |
| Picolinic acid | ME869760 | 0.80 | 0.86 | 1.15 | 1.22 | 1.21 | 0.97 | 1.06 | 0.95 | 1.36 | 1.01 | 1.12 | 1.33 | 1.01 | 0.70 | 0.80 | 0.94 | 0.60 | 0.98 | 0.84 | 0.65 | 1.12 | 0.93 | 1.10 | 0.94 | 1.10 | 0.64 | 0.64 | 1.01 | 1.05 | 0.96 | 1.60 | 1.08 | 1.00 | 1.45 | 1.68 | 1.07 | 1.06 | 1.30 | 1.17 | 1.46 | 0.51 | 1.05 |
| Sphingosine | ME869765 | 0.81 | 1.20 | 0.97 | 0.88 | 1.02 | 0.87 | 1.14 | 0.85 | 1.16 | 0.79 | 1.25 | 0.75 | 1.27 | 0.80 | 1.40 | 1.53 | 0.79 | 1.32 | 0.68 | 0.87 | 1.30 | 0.96 | 1.02 | 0.79 | 0.84 | 1.17 | 1.08 | 1.13 | 1.38 | 1.11 | 0.75 | 0.51 | 0.81 | 1.17 | 0.98 | 1.23 | 0.23 | 0.82 | 1.58 | 1.49 | 1.03 | 1.52 |
| Nicotinamide | ME869740 | 0.98 | 0.90 | 0.83 | 1.02 | 0.95 | 2.01 | 1.08 | 1.09 | 0.87 | 1.25 | 0.88 | 0.74 | 1.25 | 0.78 | 1.06 | 0.86 | 0.97 | 1.05 | 0.57 | 0.89 | 0.79 | 0.86 | 0.70 | 0.80 | 0.79 | 0.85 | 1.62 | 1.16 | 1.30 | 1.07 | 0.64 | 0.98 | 0.96 | 0.38 | 1.29 | 0.88 | 0.58 | 1.06 | 1.10 | 0.91 | 0.84 | 1.04 |
| IMP | ME869736 | 1.24 | 1.30 | 1.06 | 1.00 | 1.19 | 0.93 | 1.02 | 0.85 | 1.13 | 1.11 | 1.04 | 0.72 | 1.09 | 1.02 | 1.39 | 0.55 | 0.76 | 1.19 | 0.96 | 1.71 | 0.59 | 1.13 | 0.57 | 1.23 | 1.32 | 1.18 | 0.90 | 1.10 | 1.16 | 0.51 | 0.91 | 1.06 | 1.26 | 0.91 | 0.90 | 0.86 | 0.32 | 1.02 | 0.87 | 0.70 | 0.63 | 0.86 |
| butanoyl-l-carnitine (acyl-C4) | ME869771 | 0.78 | 1.16 | 0.99 | 1.24 | 1.33 | 1.42 | 0.74 | 1.25 | 0.75 | 0.67 | 1.17 | 0.90 | 0.92 | 1.18 | 0.90 | 0.66 | 0.88 | 0.90 | 0.60 | 1.27 | 1.12 | 0.90 | 0.84 | 0.71 | 1.00 | 1.24 | 0.50 | 0.86 | 0.60 | 1.14 | 0.86 | 0.66 | 1.09 | 0.65 | 0.62 | 1.51 | 1.08 | 1.11 | 1.07 | 0.54 | 2.17 | 0.66 |
| propionyl-carnitine (acyl-C3) | ME869770 | 0.74 | 1.05 | 0.88 | 1.12 | 1.18 | 1.45 | 0.77 | 1.23 | 0.98 | 1.05 | 0.93 | 0.89 | 0.98 | 1.04 | 0.92 | 0.69 | 0.88 | 0.87 | 0.65 | 1.17 | 1.14 | 1.67 | 0.66 | 0.63 | 1.11 | 1.08 | 0.72 | 1.10 | 0.62 | 1.06 | 0.83 | 0.93 | 0.97 | 0.62 | 1.04 | 1.46 | 0.66 | 0.54 | 1.16 | 0.71 | 2.60 | 0.74 |
| proline | ME869728 | 1.08 | 1.11 | 0.95 | 0.89 | 1.05 | 0.96 | 0.78 | 0.83 | 1.03 | 0.87 | 0.79 | 1.12 | 0.85 | 1.15 | 1.29 | 0.80 | 1.01 | 1.10 | 0.85 | 1.48 | 1.93 | 1.04 | 0.77 | 0.93 | 0.84 | 1.06 | 0.76 | 0.83 | 0.59 | 1.11 | 1.50 | 0.95 | 1.13 | 1.53 | 1.26 | 1.14 | 1.40 | 1.05 | 0.82 | 0.84 | 1.54 | 0.69 |
| L-Methionine S-oxide | ME869754 | 1.05 | 1.08 | 0.78 | 0.82 | 0.86 | 0.95 | 0.91 | 0.73 | 1.01 | 1.10 | 0.89 | 1.19 | 1.08 | 1.03 | 1.25 | 0.98 | 1.05 | 1.09 | 0.79 | 1.62 | 1.43 | 1.30 | 0.70 | 1.11 | 0.69 | 1.03 | 0.53 | 0.92 | 0.97 | 0.96 | 0.92 | 1.00 | 1.48 | 1.05 | 1.33 | 1.63 | 0.48 | 1.08 | 1.08 | 1.20 | 0.87 | 0.59 |
| Allantoate | ME869738 | 1.04 | 1.02 | 0.93 | 1.55 | 1.01 | 1.01 | 0.83 | 0.78 | 1.27 | 1.13 | 0.75 | 1.10 | 0.73 | 0.90 | 1.00 | 1.02 | 1.11 | 1.29 | 0.82 | 1.23 | 1.33 | 0.81 | 0.68 | 0.60 | 0.92 | 1.10 | 1.29 | 1.16 | 0.67 | 1.10 | 0.58 | 0.65 | 1.28 | 0.85 | 1.28 | 1.13 | 0.72 | 0.95 | 1.12 | 0.67 | 1.78 | 1.10 |
| gamma-Glutamyl-Se-methylselenocysteine | ME869742 | 1.23 | 1.20 | 1.00 | 1.49 | 1.05 | 0.96 | 0.84 | 0.88 | 1.51 | 1.12 | 0.70 | 1.03 | 0.66 | 0.90 | 1.37 | 0.95 | 1.06 | 1.25 | 0.81 | 1.30 | 1.30 | 0.78 | 0.65 | 0.49 | 0.85 | 1.15 | 1.05 | 0.90 | 0.77 | 0.96 | 0.72 | 0.75 | 1.15 | 0.80 | 1.06 | 1.18 | 0.86 | 1.12 | 1.01 | 0.61 | 1.63 | 0.88 |
| Ornithine | ME869745 | 1.08 | 1.07 | 0.95 | 1.39 | 1.09 | 0.93 | 0.90 | 0.83 | 1.62 | 1.10 | 0.77 | 1.10 | 0.71 | 0.96 | 1.15 | 0.87 | 1.04 | 1.30 | 0.80 | 1.22 | 1.49 | 0.96 | 0.64 | 0.56 | 0.92 | 1.06 | 1.05 | 0.98 | 0.80 | 1.16 | 0.83 | 0.76 | 1.01 | 0.68 | 1.15 | 1.02 | 0.81 | 1.09 | 0.84 | 0.69 | 1.56 | 0.94 |
| leucine/isoleucine | ME869724 | 0.94 | 0.97 | 0.94 | 0.73 | 1.00 | 0.97 | 0.90 | 0.90 | 1.62 | 1.33 | 0.87 | 1.24 | 0.89 | 1.11 | 1.33 | 0.74 | 0.91 | 1.06 | 0.73 | 1.21 | 1.69 | 1.61 | 0.72 | 0.76 | 0.65 | 0.78 | 0.69 | 0.93 | 0.76 | 1.03 | 0.94 | 0.81 | 1.06 | 0.80 | 1.30 | 1.63 | 1.14 | 1.18 | 0.70 | 0.73 | 1.14 | 1.20 |
| lysine | ME869725 | 0.94 | 1.04 | 1.00 | 0.96 | 1.00 | 0.97 | 0.85 | 0.98 | 1.50 | 1.06 | 0.86 | 1.21 | 0.87 | 1.19 | 1.25 | 0.81 | 1.00 | 0.99 | 0.76 | 1.05 | 1.50 | 1.19 | 0.54 | 0.51 | 0.86 | 0.92 | 0.96 | 1.02 | 0.91 | 1.12 | 0.98 | 0.91 | 1.10 | 0.95 | 1.30 | 1.18 | 0.88 | 1.00 | 0.74 | 0.80 | 1.34 | 1.12 |
| valine | ME869733 | 0.98 | 1.09 | 1.12 | 0.89 | 1.01 | 0.99 | 0.97 | 0.96 | 1.38 | 1.30 | 0.91 | 1.06 | 0.86 | 1.12 | 1.18 | 0.83 | 1.00 | 0.94 | 0.83 | 1.08 | 1.24 | 1.00 | 0.72 | 0.65 | 0.80 | 0.86 | 0.78 | 0.94 | 0.82 | 1.04 | 1.25 | 0.93 | 1.12 | 0.77 | 1.27 | 1.51 | 0.96 | 1.05 | 0.78 | 0.68 | 1.26 | 0.81 |
| methionine | ME869726 | 0.88 | 0.97 | 0.73 | 0.86 | 1.03 | 1.00 | 0.84 | 0.89 | 1.25 | 1.09 | 0.84 | 1.23 | 0.88 | 1.33 | 1.48 | 0.81 | 1.03 | 1.30 | 0.68 | 1.54 | 0.88 | 1.09 | 0.72 | 0.80 | 0.83 | 0.83 | 0.77 | 0.89 | 0.80 | 1.03 | 0.84 | 0.68 | 1.30 | 0.76 | 1.10 | 1.44 | 1.20 | 1.08 | 0.72 | 0.73 | 1.58 | 1.04 |
| threonine | ME869730 | 1.06 | 0.96 | 0.89 | 0.99 | 0.91 | 1.14 | 0.81 | 0.90 | 0.99 | 0.72 | 0.86 | 1.12 | 0.89 | 1.12 | 1.34 | 0.97 | 1.15 | 1.23 | 0.95 | 1.34 | 1.07 | 1.00 | 0.81 | 1.08 | 0.93 | 0.91 | 0.95 | 0.89 | 1.10 | 1.02 | 0.79 | 0.77 | 1.01 | 0.93 | 0.99 | 1.19 | 1.27 | 1.51 | 0.72 | 0.72 | 1.17 | 0.76 |
| kynurenine | ME869758 | 0.78 | 0.94 | 1.07 | 1.00 | 1.00 | 1.02 | 1.15 | 1.02 | 0.78 | 0.87 | 1.15 | 1.02 | 1.31 | 1.05 | 1.02 | 0.98 | 0.83 | 0.91 | 0.63 | 1.45 | 1.42 | 1.20 | 0.52 | 0.71 | 0.92 | 0.92 | 1.01 | 1.22 | 0.84 | 1.13 | 1.08 | 1.06 | 0.93 | 1.01 | 1.15 | 0.98 | 0.59 | 0.58 | 0.98 | 0.68 | 1.54 | 1.40 |
| Choline | ME869767 | 0.98 | 1.06 | 0.87 | 1.10 | 1.05 | 0.98 | 1.20 | 0.99 | 1.10 | 1.18 | 0.81 | 0.83 | 1.04 | 1.03 | 1.01 | 0.74 | 0.96 | 1.07 | 1.00 | 0.87 | 0.99 | 0.87 | 1.20 | 1.01 | 1.07 | 1.10 | 1.08 | 1.14 | 1.04 | 1.10 | 1.27 | 1.08 | 1.25 | 0.63 | 0.79 | 1.07 | 0.51 | 0.77 | 1.16 | 0.57 | 1.13 | 0.97 |
| alanine | ME869719 | 1.02 | 1.03 | 1.07 | 0.95 | 1.06 | 1.15 | 0.90 | 1.03 | 1.16 | 1.00 | 0.78 | 0.98 | 0.91 | 0.97 | 1.15 | 0.87 | 0.92 | 0.97 | 0.91 | 1.23 | 1.17 | 0.99 | 0.84 | 0.79 | 1.06 | 0.90 | 0.93 | 1.00 | 0.90 | 1.15 | 1.37 | 1.14 | 1.40 | 1.49 | 1.30 | 0.89 | 0.71 | 0.74 | 0.91 | 0.79 | 1.28 | 0.66 |
| glutamine | ME869721 | 1.13 | 1.06 | 1.02 | 0.96 | 1.07 | 0.97 | 1.03 | 1.01 | 0.96 | 1.00 | 0.83 | 1.02 | 0.92 | 1.05 | 1.07 | 0.93 | 0.96 | 1.06 | 1.03 | 1.26 | 0.82 | 0.80 | 0.83 | 0.99 | 1.13 | 1.04 | 1.14 | 0.87 | 1.29 | 0.85 | 1.03 | 1.07 | 1.26 | 1.08 | 0.92 | 1.01 | 0.92 | 1.04 | 0.76 | 0.89 | 1.02 | 0.88 |
| histidine | ME869723 | 0.77 | 0.98 | 0.86 | 0.97 | 1.17 | 1.05 | 1.38 | 0.97 | 0.94 | 0.99 | 0.90 | 1.03 | 0.98 | 1.15 | 0.94 | 0.89 | 0.97 | 1.14 | 0.89 | 1.06 | 0.98 | 1.05 | 0.75 | 0.78 | 0.95 | 0.91 | 0.87 | 0.95 | 0.82 | 0.91 | 0.98 | 1.08 | 1.27 | 0.98 | 1.14 | 1.11 | 0.93 | 1.04 | 0.86 | 0.79 | 1.02 | 0.97 |
| L-Adrenaline | ME869762 | 0.99 | 1.02 | 1.08 | 1.15 | 1.12 | 1.06 | 0.96 | 0.98 | 0.79 | 0.87 | 1.06 | 1.08 | 0.83 | 0.89 | 0.81 | 0.84 | 0.98 | 1.26 | 0.86 | 1.20 | 1.16 | 1.08 | 0.86 | 0.69 | 1.05 | 0.93 | 0.98 | 1.03 | 0.81 | 1.21 | 0.92 | 0.93 | 1.04 | 1.17 | 0.96 | 1.01 | 1.02 | 0.82 | 1.08 | 1.08 | 1.20 | 1.10 |
| L-Carnitine | ME869768 | 0.81 | 1.09 | 1.01 | 1.14 | 1.19 | 1.12 | 0.94 | 1.10 | 0.92 | 0.92 | 0.90 | 0.98 | 0.92 | 1.05 | 1.08 | 0.75 | 0.91 | 1.11 | 0.89 | 1.23 | 1.08 | 1.01 | 0.79 | 0.64 | 1.04 | 0.89 | 1.07 | 0.93 | 1.10 | 1.13 | 1.00 | 0.81 | 1.05 | 0.93 | 0.89 | 1.05 | 0.79 | 0.78 | 1.31 | 1.01 | 1.38 | 0.74 |
| Acetylcholine | ME869766 | 0.98 | 1.02 | 0.88 | 1.05 | 1.09 | 1.04 | 0.91 | 1.10 | 0.98 | 0.85 | 0.96 | 1.08 | 0.98 | 1.21 | 1.23 | 0.98 | 1.01 | 1.09 | 1.04 | 1.06 | 1.01 | 1.24 | 0.98 | 0.74 | 0.83 | 0.91 | 0.87 | 0.92 | 1.06 | 0.79 | 0.83 | 0.73 | 1.11 | 0.80 | 0.90 | 1.05 | 0.98 | 0.79 | 1.11 | 0.89 | 0.91 | 0.83 |
| phenylalanine | ME869727 | 0.86 | 0.92 | 0.80 | 0.92 | 1.02 | 1.07 | 0.77 | 1.04 | 1.19 | 1.11 | 0.94 | 1.36 | 1.00 | 1.19 | 1.30 | 0.82 | 0.87 | 1.07 | 0.77 | 1.22 | 1.12 | 1.05 | 0.86 | 0.82 | 0.91 | 0.95 | 0.70 | 0.99 | 0.87 | 1.01 | 0.80 | 0.93 | 1.20 | 0.81 | 1.13 | 1.24 | 0.75 | 0.86 | 0.98 | 1.04 | 1.29 | 0.92 |
| Indolepyruvate | ME869757 | 0.72 | 1.03 | 1.00 | 0.86 | 1.11 | 0.89 | 0.86 | 0.88 | 1.36 | 1.21 | 0.85 | 0.99 | 1.08 | 1.18 | 1.72 | 1.37 | 0.81 | 0.73 | 0.73 | 1.21 | 1.15 | 1.48 | 0.46 | 1.06 | 1.13 | 1.09 | 0.14 | 1.15 | 0.82 | 0.96 | 0.92 | 1.16 | 1.20 | 0.91 | 1.06 | 1.36 | 0.57 | 1.23 | 0.83 | 0.66 | 2.24 | 1.06 |
| tyrosine | ME869732 | 0.76 | 1.04 | 0.80 | 0.86 | 1.08 | 0.88 | 0.83 | 0.86 | 1.23 | 1.25 | 0.86 | 0.98 | 1.08 | 1.22 | 1.38 | 1.19 | 0.83 | 0.94 | 0.76 | 1.25 | 1.25 | 1.36 | 0.65 | 0.88 | 1.15 | 1.21 | 0.75 | 0.97 | 0.90 | 0.99 | 0.80 | 1.12 | 1.29 | 0.93 | 1.11 | 1.27 | 0.60 | 1.07 | 0.90 | 1.04 | 2.23 | 1.14 |
| 3-Methyleneoxindole | ME869755 | 1.04 | 0.88 | 0.81 | 0.76 | 1.09 | 0.83 | 1.08 | 1.04 | 1.47 | 0.82 | 1.00 | 1.17 | 0.89 | 1.14 | 1.19 | 0.79 | 0.95 | 1.15 | 0.63 | 1.47 | 1.32 | 1.07 | 0.36 | 0.77 | 0.60 | 1.27 | 0.98 | 0.64 | 1.20 | 0.75 | 0.80 | 1.43 | 1.08 | 0.41 | 0.70 | 2.27 | 0.38 | 0.78 | 1.50 | 1.23 | 1.75 | 1.04 |
| Pyridoxamine 5^-phosphate | ME869739 | 0.73 | 1.03 | 0.78 | 0.93 | 1.20 | 1.06 | 0.89 | 0.93 | 1.12 | 1.16 | 0.87 | 0.97 | 1.07 | 1.22 | 1.21 | 0.90 | 0.98 | 1.01 | 0.74 | 1.34 | 1.33 | 0.81 | 0.53 | 1.03 | 0.93 | 1.03 | 0.20 | 0.97 | 0.77 | 0.87 | 0.78 | 1.11 | 1.69 | 0.58 | 0.88 | 1.88 | 0.63 | 0.84 | 1.20 | 0.93 | 1.43 | 1.21 |
| tryptophan | ME869731 | 0.87 | 0.92 | 0.89 | 0.84 | 1.13 | 1.11 | 0.97 | 0.80 | 1.17 | 1.19 | 0.87 | 1.06 | 0.99 | 1.02 | 1.25 | 0.97 | 0.91 | 1.16 | 0.72 | 1.43 | 1.43 | 0.85 | 0.53 | 0.74 | 0.86 | 1.00 | 1.13 | 0.91 | 1.17 | 0.88 | 0.92 | 1.27 | 1.28 | 0.58 | 0.95 | 1.67 | 0.66 | 0.72 | 1.30 | 0.87 | 1.43 | 1.31 |
| Creatine | ME869747 | 0.70 | 1.17 | 0.69 | 1.02 | 1.10 | 1.47 | 0.94 | 1.23 | 0.99 | 1.68 | 0.72 | 1.03 | 0.97 | 1.11 | 0.96 | 0.53 | 0.79 | 1.26 | 0.81 | 1.15 | 1.98 | 1.88 | 1.02 | 1.00 | 0.72 | 0.65 | 0.55 | 0.71 | 0.61 | 0.87 | 0.97 | 0.72 | 0.30 | 0.87 | 1.24 | 0.97 | 1.42 | 1.76 | 0.93 | 0.75 | 0.48 | 0.50 |
| L-Citrulline | ME869746 | 1.27 | 1.12 | 1.12 | 1.21 | 0.96 | 1.04 | 0.78 | 1.14 | 0.94 | 0.84 | 1.03 | 1.06 | 0.91 | 1.10 | 0.99 | 0.84 | 1.34 | 0.87 | 1.01 | 1.13 | 0.90 | 1.13 | 0.87 | 0.58 | 1.03 | 1.09 | 0.64 | 0.88 | 0.58 | 1.01 | 0.30 | 0.21 | 0.96 | 0.16 | 0.25 | 0.66 | 1.86 | 1.56 | 0.94 | 0.88 | 1.64 | 0.83 |
| trans-4-Hydroxy-L-proline | ME869751 | 0.84 | 0.97 | 0.84 | 1.11 | 0.82 | 1.03 | 0.84 | 0.97 | 0.70 | 1.15 | 1.10 | 1.12 | 1.44 | 0.95 | 1.15 | 1.17 | 1.02 | 1.03 | 1.08 | 1.42 | 1.18 | 1.17 | 0.66 | 0.59 | 0.98 | 0.91 | 0.72 | 0.74 | 0.80 | 0.78 | 0.51 | 0.65 | 0.99 | 0.78 | 0.86 | 0.76 | 1.40 | 2.72 | 0.78 | 0.72 | 0.57 | 1.01 |
| arginine | ME869720 | 1.08 | 1.06 | 0.75 | 0.94 | 0.73 | 1.05 | 0.67 | 1.06 | 1.04 | 0.81 | 0.94 | 1.48 | 0.95 | 1.24 | 1.02 | 0.79 | 1.16 | 0.97 | 1.01 | 1.21 | 1.06 | 1.27 | 0.54 | 0.90 | 1.26 | 1.20 | 0.60 | 0.83 | 0.82 | 0.88 | 1.06 | 0.93 | 1.16 | 0.57 | 0.43 | 1.01 | 1.49 | 1.58 | 0.77 | 0.71 | 0.63 | 0.89 |
| Creatinine | ME869748 | 0.96 | 0.86 | 1.31 | 0.88 | 1.08 | 0.97 | 0.98 | 0.93 | 0.80 | 1.02 | 0.99 | 1.12 | 0.94 | 0.87 | 1.06 | 0.87 | 1.15 | 0.95 | 1.03 | 1.13 | 1.56 | 1.58 | 0.71 | 0.69 | 0.87 | 0.93 | 0.84 | 0.99 | 0.97 | 0.96 | 0.96 | 0.92 | 1.10 | 0.64 | 0.82 | 0.75 | 1.71 | 1.93 | 1.08 | 0.86 | 1.07 | 0.79 |
| Taurine | ME869752 | 1.16 | 1.17 | 0.73 | 1.33 | 1.20 | 0.98 | 1.14 | 0.72 | 1.24 | 1.13 | 0.83 | 0.83 | 0.88 | 0.80 | 1.25 | 0.71 | 1.16 | 1.46 | 0.81 | 1.11 | 0.67 | 0.93 | 0.60 | 0.49 | 1.29 | 0.70 | 1.20 | 0.92 | 2.79 | 0.96 | 0.38 | 1.14 | 0.62 | 0.46 | 1.12 | 1.12 | 0.18 | 0.87 | 0.97 | 1.42 | 1.73 | 0.77 |
| Xanthine | ME869737 | 1.27 | 1.13 | 1.20 | 1.23 | 1.10 | 0.58 | 1.20 | 0.66 | 1.68 | 1.53 | 0.83 | 0.70 | 0.97 | 0.72 | 1.07 | 0.58 | 0.69 | 1.34 | 0.70 | 1.13 | 0.69 | 0.71 | 0.71 | 0.63 | 0.63 | 1.07 | 1.35 | 1.33 | 1.71 | 1.48 | 0.47 | 0.67 | 0.42 | 1.57 | 2.26 | 1.63 | 0.12 | 0.72 | 1.72 | 0.30 | 1.98 | 1.66 |
Factors:
| F1 | Histology :Ductal | Lab Ki67 Group :High BL, High W5 | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F2 | Histology :Ductal | Lab Ki67 Group :High BL, High W5 | PEPI Score :>0 | Visit :Baseline | Arm :Fulvestrant |
| F3 | Histology :Ductal | Lab Ki67 Group :High BL, High W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Combination |
| F4 | Histology :Ductal | Lab Ki67 Group :High BL, High W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Fulvestrant |
| F5 | Histology :Ductal | Lab Ki67 Group :High BL, Low W5 | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F6 | Histology :Ductal | Lab Ki67 Group :High BL, Low W5 | PEPI Score :>0 | Visit :Baseline | Arm :Fulvestrant |
| F7 | Histology :Ductal | Lab Ki67 Group :High BL, Low W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Combination |
| F8 | Histology :Ductal | Lab Ki67 Group :High BL, Low W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Fulvestrant |
| F9 | Histology :Ductal | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :0 | Visit :Baseline | Arm :Combination |
| F10 | Histology :Ductal | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :0 | Visit :C4D1 | Arm :Combination |
| F11 | Histology :Ductal | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F12 | Histology :Ductal | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :>0 | Visit :Baseline | Arm :Fulvestrant |
| F13 | Histology :Ductal | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Combination |
| F14 | Histology :Ductal | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Fulvestrant |
| F15 | Histology :Ductal | Lab Ki67 Group :not available | PEPI Score :0 | Visit :Baseline | Arm :Combination |
| F16 | Histology :Ductal | Lab Ki67 Group :not available | PEPI Score :0 | Visit :C4D1 | Arm :Combination |
| F17 | Histology :Ductal | Lab Ki67 Group :not available | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F18 | Histology :Ductal | Lab Ki67 Group :not available | PEPI Score :>0 | Visit :Baseline | Arm :Fulvestrant |
| F19 | Histology :Ductal | Lab Ki67 Group :not available | PEPI Score :>0 | Visit :C4D1 | Arm :Combination |
| F20 | Histology :Ductal | Lab Ki67 Group :not available | PEPI Score :>0 | Visit :C4D1 | Arm :Fulvestrant |
| F21 | Histology :Lobular | Lab Ki67 Group :High BL, High W5 | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F22 | Histology :Lobular | Lab Ki67 Group :High BL, High W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Combination |
| F23 | Histology :Lobular | Lab Ki67 Group :High BL, Low W5 | PEPI Score :0 | Visit :Baseline | Arm :Combination |
| F24 | Histology :Lobular | Lab Ki67 Group :High BL, Low W5 | PEPI Score :0 | Visit :C4D1 | Arm :Combination |
| F25 | Histology :Lobular | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :0 | Visit :Baseline | Arm :Fulvestrant |
| F26 | Histology :Lobular | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :0 | Visit :C4D1 | Arm :Fulvestrant |
| F27 | Histology :Lobular | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F28 | Histology :Lobular | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :>0 | Visit :Baseline | Arm :Fulvestrant |
| F29 | Histology :Lobular | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Combination |
| F30 | Histology :Lobular | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Fulvestrant |
| F31 | Histology :Lobular | Lab Ki67 Group :not available | PEPI Score :0 | Visit :Baseline | Arm :Combination |
| F32 | Histology :Lobular | Lab Ki67 Group :not available | PEPI Score :0 | Visit :C4D1 | Arm :Combination |
| F33 | Histology :Lobular | Lab Ki67 Group :not available | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F34 | Histology :Lobular | Lab Ki67 Group :not available | PEPI Score :>0 | Visit :Baseline | Arm :Fulvestrant |
| F35 | Histology :Lobular | Lab Ki67 Group :not available | PEPI Score :>0 | Visit :C4D1 | Arm :Fulvestrant |
| F36 | Histology :not available | Lab Ki67 Group :not available | PEPI Score :not available | Visit :Baseline | Arm :not enrolled, baseline only |
| F37 | Histology :Other | Lab Ki67 Group :High BL, High W5 | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F38 | Histology :Other | Lab Ki67 Group :High BL, High W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Combination |
| F39 | Histology :Other | Lab Ki67 Group :High BL, Low W5 | PEPI Score :>0 | Visit :Baseline | Arm :Combination |
| F40 | Histology :Other | Lab Ki67 Group :High BL, Low W5 | PEPI Score :>0 | Visit :C4D1 | Arm :Combination |
| F41 | Histology :Other | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :0 | Visit :Baseline | Arm :Combination |
| F42 | Histology :Other | Lab Ki67 Group :Low BL, Low W5 | PEPI Score :0 | Visit :C4D1 | Arm :Combination |