Clustering data with hclust algorithm for (Study ST002789)
HILIC NEGATIVE ION MODE (Analysis AN004539)| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sucrose | ME724190 | 0.73 | 2.25 | 0.02 | 2.14 | 2.61 | 0.02 | 1.78 | 0.72 | 0.11 | 0.90 | 1.63 | 0.05 | 1.40 | 3.19 | 0.06 | 2.83 | 1.66 | 0.04 | 1.40 | 1.21 | 0.10 | 0.61 | 1.34 | 0.04 | 2.10 | 1.97 | 0.06 | 1.67 | 0.17 | 0.03 | 0.38 | 1.32 | 0.04 | 0.88 | 0.03 | 0.08 | 0.13 | 0.06 | 0.02 | 0.02 | 0.01 | 0.11 | 0.03 | 0.07 | 2.82 |
| AMP | ME724187 | 0.45 | 1.40 | NA | 0.55 | 1.85 | 0.02 | 0.84 | 1.65 | 0.13 | 1.52 | 0.60 | 0.03 | 0.52 | 0.86 | 0.03 | 1.00 | 0.54 | 0.07 | 0.48 | 0.68 | 0.08 | 0.48 | 0.46 | 0.07 | 1.79 | 0.42 | 0.07 | 0.64 | 0.68 | 0.07 | 0.61 | 0.83 | 0.02 | 0.50 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 4.21 |
| Pyroglutamic acid | ME724186 | 1.17 | 1.37 | 0.24 | 0.82 | 1.34 | 0.25 | 1.14 | 3.97 | 0.28 | 0.98 | 1.36 | 0.25 | 0.88 | 0.71 | 0.31 | 1.34 | 1.56 | 0.47 | 0.69 | 1.39 | 0.46 | 1.23 | 0.80 | 0.43 | 1.34 | 0.88 | 0.42 | 0.90 | 0.96 | 0.30 | 0.84 | 0.75 | 0.33 | 0.68 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | 2.09 |
| Taurine | ME724191 | 0.28 | 0.73 | 0.09 | 0.42 | 0.47 | 0.09 | 4.89 | 0.94 | 0.12 | 0.37 | 0.63 | 0.13 | 0.21 | 0.48 | 0.13 | 0.36 | 0.57 | 0.11 | 0.22 | 0.43 | 0.16 | 0.23 | 0.45 | 0.13 | 0.37 | 0.33 | 0.11 | 0.19 | 0.43 | 0.14 | 0.23 | 0.55 | 0.12 | 0.24 | 0.26 | 0.23 | 0.37 | 0.28 | 0.16 | 0.32 | 0.11 | 0.08 | 0.10 | 0.08 | 7.56 |
| (2R)-3-sulfopropanediol | ME724185 | 0.61 | 1.04 | 0.04 | 0.21 | 1.27 | 0.03 | 0.20 | 2.66 | 0.01 | 0.45 | 0.89 | 0.04 | 0.12 | 0.91 | 0.09 | 0.26 | 0.60 | 0.02 | 0.30 | 1.04 | 0.16 | 0.13 | 0.42 | 0.08 | 0.14 | 0.56 | 0.05 | 0.28 | 0.64 | 0.08 | 0.23 | 0.91 | 0.04 | 0.18 | 1.18 | 1.09 | 0.77 | 2.03 | 1.35 | 0.59 | 0.42 | 0.32 | 0.72 | 0.46 | 7.70 |
| 2-Hydroxyethanesulfonate | ME724188 | 0.26 | 0.33 | 0.04 | 0.22 | 0.37 | 0.04 | 0.18 | 1.08 | 0.03 | 0.31 | 0.41 | 0.08 | 0.13 | 0.23 | 0.05 | 0.21 | 0.51 | 0.07 | 0.19 | 0.25 | 0.07 | 0.13 | 0.22 | 0.05 | 0.19 | 0.18 | 0.04 | 0.17 | 0.30 | 0.08 | 0.18 | 0.30 | 0.05 | 0.16 | 0.50 | 0.43 | 0.52 | 0.66 | 0.47 | 0.21 | 0.12 | 0.11 | 0.16 | 0.13 | 8.99 |
| Malic acid | ME724189 | 0.04 | 0.03 | 0.01 | 0.03 | 0.03 | 0.01 | 0.02 | 0.04 | 0.01 | 0.03 | 0.02 | 0.01 | 0.04 | 0.02 | 0.01 | 0.03 | 0.03 | 0.01 | 0.04 | 0.04 | 0.01 | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.01 | 0.02 | 0.03 | 0.01 | 0.03 | 0.02 | 0.01 | 0.02 | 0.09 | 0.09 | 0.11 | 0.09 | 0.06 | 0.08 | 0.06 | 0.07 | 0.06 | 0.05 | 8.56 |
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 |
