Clustering data with hclust algorithm for (Study ST003954)
Reversed phase NEGATIVE ION MODE (Analysis AN006500)| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| L-Cystine | ME1046057 | 1.07 | 0.87 | 1.16 | 1.40 | 1.16 | 1.17 | 1.10 | 1.31 | 0.93 | 0.84 | 1.49 | 1.06 | 0.97 | 0.72 | 0.80 | 0.75 | 1.49 | 0.81 | 0.95 | 0.82 | 0.89 | 0.75 | 1.00 | 0.84 | 0.99 | 1.21 | 0.77 | 0.83 | 1.30 | 1.24 | 0.94 | 1.23 | 1.03 | 1.41 | 0.93 | 0.82 | 0.95 | 1.45 | 0.82 | 1.13 | 0.96 | 0.59 | 0.86 | 0.78 | 0.72 | 0.82 | 0.83 | 0.88 | 0.84 | 0.84 | 1.07 | 1.00 | 1.41 | 0.62 | 1.24 | 0.66 | 0.93 | 1.15 | 0.89 | 0.70 | 0.97 | 1.15 |
| 2-Aminoethanesulfonic-Acid | ME1046054 | 0.86 | 0.71 | 1.06 | 0.86 | 1.76 | 0.82 | 1.01 | 1.09 | 0.86 | 0.99 | 0.93 | 0.84 | 1.36 | 1.13 | 1.03 | 0.75 | 0.85 | 1.20 | 1.40 | 1.12 | 1.24 | 0.46 | 0.84 | 1.09 | 1.12 | 0.99 | 0.76 | 1.07 | 0.90 | 1.34 | 1.09 | 0.82 | 0.78 | 1.18 | 0.82 | 1.13 | 1.06 | 0.96 | 1.22 | 1.13 | 0.71 | 0.73 | 0.82 | 1.50 | 1.03 | 1.18 | 1.18 | 1.13 | 1.38 | 0.89 | 1.03 | 1.11 | 0.86 | 1.17 | 0.77 | 0.76 | 1.22 | 1.13 | 1.12 | 0.87 | 1.22 | 0.80 |
| argininosuccinic-acid | ME1046060 | 1.21 | 1.07 | 0.97 | 1.32 | 1.00 | 0.89 | 0.90 | 1.08 | NA | 1.18 | 1.00 | 0.70 | 0.93 | 1.03 | 0.78 | 0.91 | 1.55 | 0.87 | NA | NA | 0.79 | NA | 0.89 | 0.82 | 1.01 | 0.85 | 0.76 | NA | 1.26 | 0.91 | 0.81 | 0.80 | 0.90 | 0.83 | 0.89 | 0.92 | 0.99 | 1.63 | NA | 1.53 | 0.91 | NA | NA | 1.09 | 0.84 | NA | NA | 1.04 | 0.64 | 0.98 | 1.06 | 0.79 | 0.95 | 0.80 | 0.84 | 0.72 | 1.18 | 0.94 | 1.00 | 0.68 | 1.03 | 0.90 |
| 1,3-Dimethyluric-Acid | ME1046053 | 1.52 | NA | 4.13 | NA | 0.46 | 0.05 | 4.13 | 0.12 | NA | NA | NA | NA | 0.05 | NA | 2.65 | NA | 0.86 | NA | 0.39 | NA | 0.75 | NA | 0.03 | 0.12 | 0.76 | 2.80 | NA | NA | 0.09 | NA | 0.95 | 3.38 | 0.50 | NA | 0.17 | NA | 0.36 | 0.00 | 1.21 | 0.19 | 0.47 | NA | 0.56 | 0.59 | NA | 2.20 | NA | 1.87 | 0.11 | 0.65 | 0.03 | NA | 1.13 | NA | NA | NA | 0.21 | 0.10 | 0.00 | 1.13 | 0.79 | 0.41 |
| N-Propionylglycine | ME1046059 | 0.74 | 1.18 | 0.41 | 0.88 | 1.45 | 1.20 | 0.47 | NA | 1.43 | 1.35 | 1.34 | NA | 0.80 | 1.04 | NA | NA | 0.99 | 1.22 | 0.64 | 1.11 | 1.85 | 2.37 | NA | 0.86 | 1.15 | 1.35 | 1.19 | 0.70 | 1.61 | 1.07 | 0.51 | 0.73 | 1.14 | 0.47 | 0.52 | 0.48 | 1.83 | NA | 0.98 | 0.62 | 0.62 | 1.26 | 1.09 | 0.80 | 2.00 | 0.70 | 1.22 | 1.78 | 0.66 | 0.92 | 0.79 | NA | 0.44 | 0.66 | NA | 0.79 | 0.78 | 0.65 | 1.92 | 0.47 | 1.13 | 0.97 |
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 |
