Clustering data with hclust algorithm for (Study ST002789)
(Analysis AN004538)| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Citrulline | ME724135 | 0.15 | 0.08 | 0.01 | 0.06 | 0.11 | 0.01 | 0.08 | 0.17 | 0.01 | 0.11 | 0.07 | 0.01 | 0.05 | 0.10 | 0.02 | 0.08 | 0.16 | 0.02 | 0.08 | 0.13 | 0.03 | 0.05 | 0.08 | 0.03 | 0.10 | 0.11 | 0.03 | 0.12 | 0.08 | 0.02 | 0.05 | 0.08 | 0.02 | 0.04 | 0.30 | 0.34 | 0.35 | 0.22 | 0.17 | 0.13 | 0.26 | 0.39 | 0.13 | 0.12 | 14.15 |
| Guanosine | ME724147 | 0.12 | 0.23 | 0.02 | 0.09 | 0.16 | 0.01 | 0.08 | 0.23 | 0.01 | 0.10 | 0.07 | 0.02 | 0.09 | 0.08 | 0.03 | 0.11 | 0.09 | 0.02 | 0.12 | 0.13 | 0.03 | 0.07 | 0.09 | 0.04 | 0.06 | 0.08 | 0.01 | 0.09 | 0.08 | 0.04 | 0.07 | 0.08 | 0.01 | 0.07 | 0.26 | 0.18 | 0.20 | 0.20 | 0.11 | 0.16 | 0.22 | 0.18 | 0.12 | 0.07 | 14.22 |
| Asparagine | ME724153 | 0.26 | 0.27 | 0.08 | 0.18 | 0.29 | 0.09 | 0.16 | 0.48 | 0.08 | 0.26 | 0.24 | 0.09 | 0.16 | 0.23 | 0.14 | 0.17 | 0.24 | 0.11 | 0.17 | 0.24 | 0.14 | 0.18 | 0.24 | 0.14 | 0.15 | 0.24 | 0.09 | 0.19 | 0.24 | 0.10 | 0.20 | 0.24 | 0.11 | 0.14 | 0.45 | 0.42 | 0.49 | 0.50 | 0.27 | 0.29 | 0.29 | 0.25 | 0.29 | 0.25 | 11.50 |
| Methionine sulfoxide | ME724163 | 0.13 | 0.13 | 0.19 | 0.44 | 0.15 | 0.25 | 0.73 | 0.24 | 0.20 | 0.53 | 0.15 | 0.23 | 0.40 | 0.17 | 0.15 | 0.65 | 0.15 | 0.12 | 0.43 | 0.15 | 0.14 | 0.61 | 0.24 | 0.11 | 0.60 | 0.24 | 0.32 | 0.63 | 0.18 | 0.10 | 0.63 | 0.22 | 0.21 | 0.59 | 0.11 | 0.05 | 0.11 | 0.09 | 0.02 | 0.03 | 0.01 | 0.01 | 0.04 | 0.02 | 12.33 |
| Serine | ME724166 | 0.74 | 0.88 | 0.49 | 0.67 | 0.80 | 0.63 | 0.52 | 0.85 | 0.51 | 0.77 | 0.66 | 0.49 | 0.64 | 0.77 | 0.53 | 0.73 | 0.64 | 0.51 | 0.72 | 1.20 | 0.55 | 0.70 | 0.68 | 0.70 | 0.68 | 0.73 | 0.51 | 0.71 | 0.74 | 0.64 | 0.74 | 0.77 | 0.52 | 0.64 | 0.42 | 0.33 | 0.42 | 0.45 | 0.32 | 0.33 | 0.25 | 0.24 | 0.22 | 0.31 | 4.46 |
| Arsenobetaine | ME724133 | 0.39 | 0.50 | 0.53 | 0.09 | 0.43 | 0.48 | 0.11 | 0.19 | 0.51 | 0.08 | 0.28 | 0.57 | 0.09 | 0.64 | 0.70 | 0.13 | 0.20 | 0.46 | 0.06 | 0.40 | 0.56 | 0.09 | 0.54 | 0.84 | 0.16 | 0.45 | 0.64 | 0.11 | 0.38 | 0.63 | 0.08 | 0.39 | 0.58 | 0.09 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 6.03 |
| (Dimethylsulfonio)acetate | ME724139 | 0.22 | 0.28 | 0.01 | 0.43 | 0.30 | 0.01 | 0.44 | 0.75 | 0.01 | 0.44 | 0.35 | 0.01 | 0.25 | 0.24 | 0.01 | 0.46 | 0.56 | 0.02 | 0.32 | 0.15 | 0.02 | 0.25 | 0.22 | 0.02 | 0.41 | 0.27 | 0.02 | 0.37 | 0.18 | 0.02 | 0.37 | 0.32 | 0.02 | 0.33 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 6.65 |
| Nicotinic acid | ME724175 | 0.48 | 0.63 | 0.30 | 0.52 | 0.56 | 0.16 | 0.73 | 0.84 | 0.23 | 0.64 | 0.52 | 0.25 | 0.50 | 0.59 | 0.27 | 0.50 | 0.57 | 0.25 | 0.46 | 0.25 | 0.21 | 0.41 | 0.44 | 0.12 | 0.49 | 0.35 | 0.29 | 0.35 | 0.40 | 0.24 | 0.56 | 0.52 | 0.24 | 0.56 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 5.36 |
| Sarcosine | ME724178 | 0.45 | 1.42 | 0.08 | 0.54 | 0.61 | 0.11 | 0.53 | 1.45 | 0.15 | 1.12 | 0.50 | 0.22 | 0.40 | 0.47 | 0.12 | 0.40 | 0.58 | 0.14 | 0.54 | 0.57 | 0.21 | 0.29 | 0.44 | 0.21 | 0.62 | 0.29 | 0.09 | 0.36 | 0.72 | 0.20 | 0.35 | 0.62 | 0.15 | 0.54 | 0.37 | 0.37 | 0.41 | 0.52 | 0.26 | 0.26 | 0.18 | 0.16 | 0.19 | 0.19 | 5.58 |
| Cytidine | ME724137 | 0.04 | 0.04 | 0.01 | 0.05 | 0.04 | 0.01 | 0.04 | 0.07 | 0.01 | 0.04 | 0.06 | 0.02 | 0.03 | 0.04 | 0.01 | 0.07 | 0.05 | 0.01 | 0.04 | 0.03 | 0.01 | 0.04 | 0.03 | 0.01 | 0.04 | 0.03 | 0.01 | 0.04 | 0.04 | 0.01 | 0.04 | 0.04 | 0.01 | 0.04 | 0.06 | 0.05 | 0.07 | 0.05 | 0.03 | 0.05 | 0.04 | 0.04 | 0.03 | 0.02 | 11.13 |
| Proline | ME724165 | 0.01 | 0.02 | 0.00 | 0.01 | 0.02 | 0.00 | 0.01 | 0.04 | 0.00 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.03 | 0.02 | 0.04 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 9.64 |
| Tyrosine | ME724168 | 0.02 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.04 | 0.04 | 0.05 | 0.03 | 0.02 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 9.64 |
| Deoxyadenosine | ME724138 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.00 | 0.02 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 10.33 |
| Ornithine | ME724164 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 10.20 |
| Adenine | ME724131 | 0.07 | 0.06 | 0.02 | 0.07 | 0.06 | 0.02 | 0.07 | 0.10 | 0.02 | 0.05 | 0.08 | 0.02 | 0.06 | 0.07 | 0.03 | 0.06 | 0.09 | 0.02 | 0.06 | 0.05 | 0.03 | 0.06 | 0.07 | 0.03 | 0.07 | 0.07 | 0.04 | 0.08 | 0.07 | 0.01 | 0.07 | 0.06 | 0.02 | 0.06 | 0.09 | 0.08 | 0.10 | 0.08 | 0.05 | 0.07 | 0.07 | 0.09 | 0.08 | 0.05 | 6.95 |
| Ectoine | ME724141 | 0.23 | 0.21 | 0.07 | 0.07 | 0.19 | 0.06 | 0.09 | 0.25 | 0.06 | 0.09 | 0.13 | 0.11 | 0.07 | 0.24 | 0.07 | 0.10 | 0.28 | 0.14 | 0.23 | 0.25 | 0.13 | 0.12 | 0.20 | 0.09 | 0.11 | 0.28 | 0.11 | 0.12 | 0.21 | 0.08 | 0.09 | 0.23 | 0.07 | 0.07 | 0.36 | 0.34 | 0.43 | 0.43 | 0.33 | 0.44 | 0.37 | 0.33 | 0.38 | 0.29 | 7.20 |
| Arginine | ME724152 | 0.20 | 0.20 | 0.02 | 0.10 | 0.13 | 0.03 | 0.10 | 0.28 | 0.04 | 0.15 | 0.16 | 0.04 | 0.06 | 0.09 | 0.04 | 0.10 | 0.21 | 0.05 | 0.09 | 0.14 | 0.04 | 0.10 | 0.13 | 0.06 | 0.15 | 0.09 | 0.03 | 0.05 | 0.11 | 0.05 | 0.06 | 0.12 | 0.03 | 0.06 | 0.51 | 0.43 | 0.76 | 0.53 | 0.32 | 0.42 | 0.26 | 0.18 | 0.28 | 0.20 | 8.32 |
| Adenosine | ME724132 | 0.15 | 0.23 | 0.06 | 0.12 | 0.18 | 0.03 | 0.23 | 0.42 | 0.04 | 0.15 | 0.19 | 0.06 | 0.14 | 0.11 | 0.07 | 0.15 | 0.32 | 0.06 | 0.19 | 0.14 | 0.06 | 0.13 | 0.14 | 0.06 | 0.18 | 0.14 | 0.07 | 0.15 | 0.16 | 0.04 | 0.16 | 0.13 | 0.04 | 0.10 | 0.15 | 0.12 | 0.20 | 0.17 | 0.08 | 0.15 | 0.14 | 0.20 | 0.08 | 0.07 | 8.46 |
| CAR 2:0 | ME724176 | 0.12 | 0.10 | 0.10 | 0.08 | 0.11 | 0.07 | 0.09 | 0.15 | 0.04 | 0.07 | 0.08 | 0.07 | 0.04 | 0.13 | 0.16 | 0.10 | 0.09 | 0.06 | 0.06 | 0.09 | 0.10 | 0.05 | 0.09 | 0.28 | 0.08 | 0.07 | 0.22 | 0.05 | 0.07 | 0.14 | 0.05 | 0.08 | 0.12 | 0.06 | 0.16 | 0.13 | 0.17 | 0.15 | 0.12 | 0.20 | 0.12 | 0.10 | 0.22 | 0.31 | 7.86 |
| Histidine | ME724157 | 0.03 | 0.03 | 0.01 | 0.03 | 0.03 | 0.01 | 0.02 | 0.05 | 0.01 | 0.03 | 0.03 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.01 | 0.02 | 0.03 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | 0.01 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.02 | 0.02 | 0.04 | 0.03 | 0.05 | 0.03 | 0.03 | 0.04 | 0.03 | 0.02 | 0.02 | 0.02 | 8.65 |
| Methionine | ME724162 | 0.01 | 0.03 | 0.00 | 0.02 | 0.02 | 0.00 | 0.02 | 0.05 | 0.00 | 0.02 | 0.03 | 0.00 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.01 | 0.01 | 0.00 | 0.01 | 0.02 | 0.01 | 0.02 | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.01 | 0.03 | 0.02 | 0.04 | 0.02 | 0.02 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 8.62 |
| Turicine | ME724181 | 0.06 | 0.05 | 0.02 | 0.07 | 0.11 | 0.02 | 0.11 | 0.12 | 0.01 | 0.08 | 0.08 | 0.02 | 0.07 | 0.06 | 0.03 | 0.07 | 0.09 | 0.02 | 0.06 | 0.07 | 0.03 | 0.07 | 0.07 | 0.03 | 0.12 | 0.08 | 0.04 | 0.09 | 0.06 | 0.02 | 0.06 | 0.06 | 0.03 | 0.07 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 7.95 |
| 5-Hydroxyectoine | ME724129 | 0.07 | 0.03 | 0.03 | 0.04 | 0.02 | 0.03 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.09 | 0.02 | 0.04 | 0.04 | 0.02 | 0.09 | 0.10 | 0.09 | 0.06 | 0.07 | 0.07 | 0.04 | 0.04 | 0.06 | 0.05 | 0.06 | 0.18 | 0.03 | 0.02 | 0.04 | 0.03 | 0.03 | 0.03 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 8.15 |
| Melamine | ME724170 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.02 | 0.03 | 0.02 | 0.05 | 0.04 | 0.02 | 0.07 | 0.04 | 0.03 | 0.04 | 0.05 | 0.04 | 0.04 | 0.03 | 0.03 | 0.02 | 0.02 | 0.04 | 0.03 | 0.09 | 0.03 | 0.05 | 0.04 | 0.05 | 0.04 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 8.26 |
| Glutamine | ME724156 | 0.55 | 0.30 | 0.08 | 0.53 | 0.43 | 0.07 | 0.55 | 0.79 | 0.06 | 0.50 | 0.38 | 0.11 | 0.47 | 0.44 | 0.14 | 0.53 | 0.98 | 0.10 | 0.57 | 0.31 | 0.13 | 0.75 | 0.35 | 0.11 | 0.89 | 0.48 | 0.13 | 0.80 | 0.30 | 0.07 | 0.58 | 0.29 | 0.10 | 0.57 | 0.90 | 1.06 | 1.57 | 0.82 | 0.55 | 0.62 | 0.84 | 1.38 | 0.44 | 0.34 | 7.81 |
| Threonine | ME724167 | 0.49 | 0.66 | 0.15 | 0.36 | 0.55 | 0.14 | 0.36 | 0.75 | 0.09 | 0.30 | 0.88 | 0.24 | 0.29 | 0.65 | 0.27 | 0.35 | 0.48 | 0.17 | 0.26 | 0.82 | 0.30 | 0.31 | 0.40 | 0.18 | 0.28 | 0.32 | 0.15 | 0.30 | 0.42 | 0.12 | 0.24 | 0.69 | 0.13 | 0.26 | 0.33 | 0.30 | 0.45 | 0.57 | 0.34 | 0.58 | 0.23 | 0.32 | 0.55 | 0.27 | 8.13 |
| Guanine | ME724146 | 0.83 | 1.17 | 0.28 | 0.63 | 1.00 | 0.23 | 0.70 | 1.51 | 0.16 | 0.61 | 1.26 | 0.28 | 0.47 | 0.77 | 0.29 | 0.68 | 1.20 | 0.22 | 0.87 | 0.91 | 0.61 | 0.57 | 0.82 | 0.55 | 0.72 | 0.92 | 0.47 | 0.73 | 1.32 | 0.22 | 0.68 | 1.03 | 0.29 | 0.74 | 1.22 | 0.87 | 1.26 | 1.00 | 0.70 | 1.03 | 0.92 | 0.92 | 0.97 | 0.88 | 3.02 |
| Proline betaine | ME724177 | 0.80 | 0.64 | 0.22 | 0.90 | 1.08 | 0.19 | 0.90 | 0.98 | 0.20 | 1.38 | 0.70 | 0.22 | 0.71 | 0.68 | 0.30 | 0.98 | 0.63 | 0.23 | 0.94 | 0.67 | 0.32 | 0.79 | 0.60 | 0.41 | 0.79 | 0.66 | 0.32 | 0.87 | 0.64 | 0.35 | 0.74 | 1.01 | 0.26 | 0.77 | 1.63 | 1.56 | 2.54 | 1.19 | 1.00 | 1.10 | 1.21 | 1.01 | 1.12 | 0.87 | 2.56 |
| Carnitine | ME724134 | 0.70 | 0.76 | 0.23 | 0.82 | 0.52 | 0.16 | 0.90 | 0.86 | 0.13 | 0.87 | 0.62 | 0.20 | 0.58 | 0.68 | 0.28 | 0.92 | 0.41 | 0.15 | 0.68 | 0.60 | 0.34 | 0.79 | 0.48 | 0.30 | 0.86 | 0.47 | 0.33 | 0.74 | 0.50 | 0.30 | 0.81 | 0.62 | 0.21 | 0.75 | 1.21 | 1.24 | 1.55 | 1.13 | 0.81 | 1.06 | 0.91 | 0.93 | 0.89 | 0.66 | 3.61 |
| Glutamic acid | ME724155 | 0.89 | 0.66 | 0.25 | 0.68 | 0.93 | 0.26 | 0.94 | 1.45 | 0.21 | 0.93 | 0.80 | 0.32 | 0.68 | 0.87 | 0.42 | 0.79 | 0.79 | 0.28 | 0.59 | 0.70 | 0.40 | 0.83 | 0.60 | 0.34 | 0.80 | 0.78 | 0.40 | 1.02 | 0.65 | 0.22 | 0.63 | 0.60 | 0.32 | 0.65 | 1.50 | 1.51 | 1.72 | 1.64 | 1.31 | 0.99 | 1.26 | 1.59 | 1.12 | 0.82 | 3.75 |
| Lysine | ME724161 | 0.59 | 0.58 | 0.20 | 0.42 | 0.49 | 0.21 | 0.32 | 0.70 | 0.22 | 0.43 | 0.50 | 0.21 | 0.36 | 0.47 | 0.25 | 0.48 | 0.42 | 0.20 | 0.36 | 0.50 | 0.26 | 0.33 | 0.40 | 0.34 | 0.39 | 0.39 | 0.21 | 0.31 | 0.40 | 0.33 | 0.35 | 0.43 | 0.21 | 0.32 | 1.17 | 0.91 | 1.23 | 0.90 | 0.77 | 1.10 | 0.69 | 0.53 | 0.64 | 0.51 | 5.54 |
| sn-Glycero-3-phosphocholine | ME724142 | 0.53 | 0.98 | 0.06 | 0.34 | 0.59 | 0.05 | 0.61 | 1.67 | 0.04 | 0.56 | 0.90 | 0.06 | 0.26 | 0.83 | 0.08 | 0.47 | 0.49 | 0.05 | 0.32 | 0.70 | 0.11 | 0.43 | 0.40 | 0.11 | 0.28 | 0.24 | 0.07 | 0.48 | 0.44 | 0.08 | 0.37 | 0.66 | 0.05 | 0.53 | 1.35 | 0.80 | 0.93 | 1.27 | 0.75 | 0.77 | 0.55 | 0.49 | 0.48 | 0.34 | 6.02 |
| 4-Aminopentanoic acid | ME724128 | 0.89 | 0.36 | 0.28 | 0.35 | 0.41 | 0.33 | 0.44 | 0.51 | 0.32 | 0.39 | 0.40 | 0.33 | 0.40 | 0.36 | 0.30 | 0.39 | 0.48 | 0.38 | 0.35 | 0.38 | 0.37 | 0.52 | 0.43 | 0.27 | 0.37 | 0.41 | 0.33 | 0.52 | 0.35 | 0.22 | 0.38 | 0.36 | 0.32 | 0.49 | 2.18 | 1.63 | 1.27 | 1.27 | 1.56 | 1.53 | 1.78 | 1.59 | 1.31 | 1.30 | 5.92 |
| Aspartic acid | ME724154 | 0.86 | 0.70 | 0.11 | 0.54 | 0.97 | 0.09 | 0.92 | 1.28 | 0.05 | 1.00 | 0.68 | 0.17 | 0.43 | 0.63 | 0.16 | 0.68 | 0.76 | 0.13 | 0.82 | 0.74 | 0.23 | 0.47 | 0.51 | 0.17 | 1.07 | 0.69 | 0.13 | 0.71 | 0.69 | 0.14 | 0.56 | 0.64 | 0.12 | 0.50 | 1.50 | 1.46 | 1.49 | 1.38 | 1.19 | 1.17 | 1.39 | 1.67 | 0.86 | 0.60 | 5.10 |
| Betaine | ME724144 | 1.08 | 1.39 | 0.50 | 0.80 | 1.32 | 0.41 | 0.73 | 1.51 | 0.37 | 1.03 | 1.27 | 0.49 | 0.65 | 1.39 | 0.56 | 0.99 | 1.08 | 0.43 | 0.77 | 1.17 | 0.65 | 0.81 | 1.03 | 0.76 | 0.94 | 1.10 | 0.54 | 0.75 | 1.15 | 0.74 | 0.70 | 1.30 | 0.50 | 0.72 | 1.58 | 1.54 | 2.54 | 1.66 | 1.57 | 1.64 | 1.24 | 1.05 | 1.33 | 1.13 | 0.79 |
| Trimethylamine N-oxide | ME724180 | 1.98 | 1.00 | 0.24 | 0.68 | 3.21 | 0.21 | 0.49 | 1.83 | 0.37 | 1.10 | 1.08 | 0.50 | 0.55 | 0.84 | 0.39 | 0.62 | 1.20 | 0.73 | 0.40 | 1.13 | 0.36 | 0.41 | 0.93 | 0.62 | 2.29 | 0.84 | 0.22 | 1.43 | 0.93 | 0.64 | 0.30 | 0.88 | 0.30 | 0.33 | 0.82 | 0.68 | 1.16 | 0.90 | 0.73 | 1.31 | 0.30 | 0.32 | 0.56 | 0.45 | 1.45 |
| Dimethylsulfoniopropionate | ME724140 | 0.86 | 0.51 | 0.28 | 1.89 | 0.61 | 0.21 | 1.28 | 0.45 | 0.15 | 1.76 | 0.68 | 0.29 | 0.93 | 0.79 | 0.29 | 2.37 | 0.80 | 0.22 | 0.81 | 0.60 | 0.28 | 0.95 | 0.58 | 0.34 | 1.26 | 0.80 | 0.26 | 1.89 | 0.54 | 0.42 | 1.20 | 0.79 | 0.28 | 2.19 | 1.59 | 3.09 | 3.32 | 1.48 | 1.51 | 0.85 | 0.80 | 0.80 | 0.74 | 0.60 | 1.37 |
| Glycine | ME724143 | 1.00 | 1.10 | 0.09 | 0.60 | 0.62 | 0.09 | 0.47 | 1.78 | 0.13 | 0.89 | 0.87 | 0.19 | 0.43 | 0.71 | 0.22 | 0.52 | 0.98 | 0.26 | 0.46 | 0.97 | 0.26 | 0.50 | 0.68 | 0.89 | 0.65 | 0.48 | 0.14 | 0.40 | 0.73 | 0.23 | 0.35 | 0.69 | 0.15 | 0.38 | 2.75 | 2.40 | 3.36 | 2.95 | 1.70 | 1.73 | 1.25 | 0.87 | 1.01 | 0.95 | 2.66 |
| Homarine | ME724148 | 1.16 | 0.88 | 0.12 | 0.57 | 1.77 | 0.13 | 0.46 | 3.12 | 0.33 | 0.95 | 1.01 | 0.26 | 0.51 | 0.67 | 0.12 | 0.73 | 1.15 | 0.32 | 0.47 | 0.64 | 0.20 | 0.53 | 0.60 | 0.23 | 1.67 | 0.51 | 0.31 | 0.87 | 0.70 | 0.32 | 0.34 | 0.79 | 0.20 | 0.55 | 3.69 | 2.99 | 4.96 | 3.18 | 2.26 | 1.24 | 1.11 | 0.89 | 1.04 | 0.70 | 0.68 |
| Trigonelline | ME724179 | 1.10 | 0.94 | 0.22 | 0.60 | 1.34 | 0.18 | 0.50 | 1.92 | 0.29 | 0.81 | 0.70 | 0.28 | 0.46 | 0.57 | 0.24 | 0.62 | 1.10 | 0.38 | 0.55 | 0.56 | 0.31 | 0.43 | 0.54 | 0.39 | 0.91 | 0.51 | 0.22 | 0.59 | 0.56 | 0.36 | 0.50 | 0.65 | 0.26 | 0.63 | 3.08 | 2.85 | 4.37 | 3.05 | 2.30 | 1.52 | 1.16 | 1.00 | 1.22 | 0.97 | 1.28 |
| Hydroxyisoleucine | ME724149 | 0.71 | 0.63 | 0.22 | 0.80 | 1.11 | 0.23 | 2.89 | 1.57 | 0.18 | 1.05 | 1.03 | 0.27 | 0.73 | 0.75 | 0.38 | 0.80 | 1.07 | 0.24 | 0.67 | 0.71 | 0.34 | 0.85 | 0.96 | 0.33 | 1.18 | 1.02 | 0.42 | 0.99 | 0.83 | 0.19 | 0.68 | 0.77 | 0.28 | 0.70 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 2.86 |
| Gonyol | ME724145 | 1.53 | 1.21 | 0.09 | 1.58 | 0.56 | 0.07 | 1.73 | 1.81 | 0.06 | 1.60 | 0.73 | 0.06 | 2.18 | 0.77 | 0.10 | 2.52 | 0.59 | 0.06 | 1.40 | 0.59 | 0.16 | 2.04 | 0.30 | 0.11 | 1.71 | 0.45 | 0.10 | 1.43 | 0.64 | 0.10 | 1.71 | 0.68 | 0.06 | 2.17 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.54 |
| Leucine | ME724160 | 0.99 | 1.06 | 0.47 | 1.52 | 0.86 | 0.41 | 1.60 | 1.19 | 0.40 | 1.60 | 1.00 | 0.44 | 1.41 | 1.24 | 0.56 | 1.86 | 0.77 | 0.41 | 1.34 | 0.99 | 0.57 | 1.36 | 0.93 | 0.69 | 1.16 | 1.02 | 0.53 | 1.51 | 1.00 | 0.64 | 1.44 | 1.12 | 0.51 | 1.43 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 1.00 |
| Creatine | ME724136 | 1.00 | 0.59 | 0.10 | 0.23 | 3.71 | 0.08 | 1.57 | 0.85 | 0.05 | 0.32 | 0.49 | 0.09 | 0.58 | 0.53 | 0.18 | 0.41 | 0.23 | 0.05 | 0.17 | 0.49 | 0.15 | 0.11 | 0.21 | 0.14 | 2.42 | 0.16 | 0.08 | 1.51 | 0.34 | 0.15 | 0.24 | 0.53 | 0.07 | 0.24 | 0.30 | 0.31 | 0.55 | 0.36 | 0.10 | 0.18 | 0.10 | 0.06 | 0.10 | 0.06 | 5.32 |
| 2-O-alpha-D-Glucosylglycerol | ME724127 | 0.47 | 1.74 | NA | 0.18 | 1.70 | NA | 0.39 | 3.68 | NA | 0.35 | 2.21 | NA | 0.09 | 1.01 | 0.02 | 0.28 | 1.69 | 0.02 | 0.48 | 0.84 | 0.06 | 0.13 | 0.49 | 0.03 | 0.14 | 0.38 | 0.01 | 0.19 | 0.70 | 0.01 | 0.23 | 1.04 | 0.01 | 0.19 | 0.63 | 0.33 | 0.32 | 0.68 | 0.34 | 0.24 | 0.21 | 0.18 | 0.15 | 0.05 | 5.59 |
| Alanine | ME724151 | 0.91 | 1.94 | 0.21 | 1.14 | 2.62 | 0.24 | 1.15 | 3.75 | 0.22 | 0.76 | 1.93 | 0.35 | 0.96 | 1.65 | 0.42 | 1.07 | 1.50 | 0.32 | 0.78 | 1.37 | 0.41 | 0.71 | 1.01 | 0.34 | 1.24 | 1.05 | 0.31 | 1.29 | 1.14 | 0.18 | 0.56 | 1.31 | 0.27 | 1.52 | 0.24 | 0.20 | 0.29 | 0.23 | 0.19 | 0.20 | 0.14 | 0.11 | 0.10 | 0.09 | 3.37 |
Factors:
| F1 | Sample_type:QC Pooled | Station:NA | Depth:NA |
| F2 | Sample_type:Sample | Station:10 | Depth:DCM |
| F3 | Sample_type:Sample | Station:10 | Depth:Deep |
| F4 | Sample_type:Sample | Station:10 | Depth:Surface |
| F5 | Sample_type:Sample | Station:11 | Depth:DCM |
| F6 | Sample_type:Sample | Station:11 | Depth:Deep |
| F7 | Sample_type:Sample | Station:11 | Depth:Surface |
| F8 | Sample_type:Sample | Station:12 | Depth:DCM |
| F9 | Sample_type:Sample | Station:12 | Depth:Deep |
| F10 | Sample_type:Sample | Station:12 | Depth:Surface |
| F11 | Sample_type:Sample | Station:13 | Depth:DCM |
| F12 | Sample_type:Sample | Station:13 | Depth:Deep |
| F13 | Sample_type:Sample | Station:13 | Depth:Surface |
| F14 | Sample_type:Sample | Station:14 | Depth:DCM |
| F15 | Sample_type:Sample | Station:14 | Depth:Deep |
| F16 | Sample_type:Sample | Station:14 | Depth:Surface |
| F17 | Sample_type:Sample | Station:4 | Depth:DCM |
| F18 | Sample_type:Sample | Station:4 | Depth:Deep |
| F19 | Sample_type:Sample | Station:4 | Depth:Surface |
| F20 | Sample_type:Sample | Station:5 | Depth:DCM |
| F21 | Sample_type:Sample | Station:5 | Depth:Deep |
| F22 | Sample_type:Sample | Station:5 | Depth:Surface |
| F23 | Sample_type:Sample | Station:6 | Depth:DCM |
| F24 | Sample_type:Sample | Station:6 | Depth:Deep |
| F25 | Sample_type:Sample | Station:6 | Depth:Surface |
| F26 | Sample_type:Sample | Station:7 | Depth:DCM |
| F27 | Sample_type:Sample | Station:7 | Depth:Deep |
| F28 | Sample_type:Sample | Station:7 | Depth:Surface |
| F29 | Sample_type:Sample | Station:8 | Depth:DCM |
| F30 | Sample_type:Sample | Station:8 | Depth:Deep |
| F31 | Sample_type:Sample | Station:8 | Depth:Surface |
| F32 | Sample_type:Sample | Station:9 | Depth:DCM |
| F33 | Sample_type:Sample | Station:9 | Depth:Deep |
| F34 | Sample_type:Sample | Station:9 | Depth:Surface |
| F35 | Sample_type:Sample | Station:L1 | Depth:DCM |
| F36 | Sample_type:Sample | Station:L1 | Depth:DCMless10m |
| F37 | Sample_type:Sample | Station:L1 | Depth:DCMless20m |
| F38 | Sample_type:Sample | Station:L1 | Depth:DCMplus10m |
| F39 | Sample_type:Sample | Station:L1 | Depth:DCMplus20m |
| F40 | Sample_type:Sample | Station:L2 | Depth:DCM |
| F41 | Sample_type:Sample | Station:L2 | Depth:DCMless10m |
| F42 | Sample_type:Sample | Station:L2 | Depth:DCMless20m |
| F43 | Sample_type:Sample | Station:L2 | Depth:DCMplus10m |
| F44 | Sample_type:Sample | Station:L2 | Depth:DCMplus20m |
| F45 | Sample_type:Standard mix | Station:NA | Depth:NA |