Clustering data with hclust algorithm for (Study ST001480)
HILIC POSITIVE ION MODE (Analysis AN002456)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| Choline | ME356717 | 0.66 | 7.99 | 0.01 | 0.70 | 0.17 | 0.07 | 0.13 | 0.07 |
| Histidine | ME356727 | 2.94 | 2.60 | 0.89 | 0.59 | 0.33 | 0.44 | 0.41 | 0.80 |
| N(e)-Acetyl-Lysine | ME356734 | 2.39 | 1.58 | 0.28 | 0.24 | 0.36 | 1.07 | 0.45 | 2.05 |
| Glucosylglycerol | ME356722 | 0.27 | 0.82 | 0.26 | 4.49 | 0.79 | 0.56 | 0.96 | 0.72 |
| Alanine | ME356708 | 5.00 | 3.24 | 0.64 | 0.30 | 0.20 | 0.13 | 0.18 | 0.15 |
| Glycine | ME356725 | 2.68 | 3.12 | 1.24 | 0.61 | 0.33 | 0.31 | 0.38 | 0.47 |
| Ectoine | ME356721 | 5.32 | 2.55 | 0.67 | 0.47 | 0.21 | 0.16 | 0.20 | 0.20 |
| Gonyol | ME356726 | NA | NA | NA | NA | 0.38 | 2.10 | 0.31 | 1.21 |
| Homarine | ME356728 | 3.52 | 3.97 | NA | 0.01 | NA | 0.00 | 0.00 | 0.00 |
| Carnitine | ME356716 | 1.41 | 5.94 | 0.12 | 0.98 | 0.25 | 0.43 | 0.15 | 0.50 |
| Homoserine | ME356729 | 4.30 | 3.90 | NA | 0.25 | 0.12 | 0.04 | 0.16 | 0.04 |
| Hydroxyectoine | ME356730 | NA | NA | 0.61 | 2.42 | 0.75 | 0.69 | NA | NA |
| Hypotaurine | ME356731 | NA | NA | NA | NA | 0.26 | 1.72 | 0.22 | 1.81 |
| Lysine | ME356732 | 8.38 | 0.61 | 0.10 | 0.14 | 0.19 | 0.20 | 0.21 | 0.22 |
| Tyrosine | ME356745 | 8.92 | 0.30 | 0.03 | 0.14 | 0.04 | 0.25 | 0.03 | 0.42 |
| Betaine | ME356714 | 2.09 | 1.46 | NA | 1.13 | 0.59 | 0.59 | 0.68 | 1.02 |
| (Iso)leucine | ME356705 | 2.45 | NA | 0.90 | NA | NA | 0.28 | NA | 0.37 |
| Arginine | ME356710 | 2.63 | 2.03 | 1.35 | 0.59 | 0.62 | 0.50 | 0.57 | 0.45 |
| Aspartic acid | ME356713 | 3.28 | 3.70 | 0.26 | 1.06 | 0.50 | 0.24 | 0.38 | 0.26 |
| Dimethylsulfonioacetate (DMS-Ac) | ME356719 | 0.04 | 0.09 | NA | 3.55 | 0.50 | 0.94 | 0.63 | 1.48 |
| Serine | ME356738 | 4.61 | 3.03 | 0.36 | 0.63 | 0.30 | 0.25 | 0.28 | 0.29 |
| Asparagine | ME356712 | 2.84 | 1.98 | 0.72 | 0.54 | 0.40 | 0.71 | 0.52 | 1.07 |
| Trimethylammonium Propionate (TMAP) | ME356744 | NA | NA | NA | 4.16 | 0.54 | 0.51 | 0.34 | 0.50 |
| Threonine | ME356740 | 4.98 | 4.23 | 0.16 | 0.32 | 0.11 | 0.10 | 0.11 | 0.16 |
| Glutamine | ME356724 | 1.92 | 4.46 | 0.44 | 0.86 | 0.41 | 0.44 | 0.42 | 0.46 |
| Sarcosine | ME356737 | 4.93 | 2.75 | NA | 0.31 | 0.11 | 0.19 | 0.16 | 0.22 |
| Adenosyl Methionine | ME356707 | 3.51 | 3.28 | 0.13 | 0.71 | 0.20 | 0.48 | 0.23 | 0.96 |
| (3-Carboxypropyl)trimethylammonium (TMAB) | ME356704 | 4.42 | 4.84 | 0.05 | 0.31 | 0.12 | 0.10 | 0.16 | 0.19 |
| Stachydrine hydrochloride | ME356739 | 1.97 | 2.38 | NA | 0.59 | NA | 0.26 | 0.32 | 0.49 |
| Methionine | ME356733 | 7.72 | 2.21 | 0.10 | 0.12 | 0.05 | 0.04 | 0.07 | 0.04 |
| Betonicine | ME356715 | NA | NA | NA | 1.56 | 1.25 | 0.61 | 1.03 | 0.74 |
| Proline | ME356736 | 1.23 | 6.12 | 0.84 | 0.48 | 0.17 | 0.10 | 0.40 | 0.28 |
| Ornithine | ME356735 | 9.44 | 0.59 | 0.13 | 0.06 | 0.04 | 0.04 | 0.04 | 0.02 |
| trans Hydroxyl proline | ME356741 | 1.79 | 4.21 | 1.36 | 0.44 | 0.19 | 0.18 | 0.47 | 0.50 |
| DMSP | ME356720 | 1.41 | 2.61 | NA | 1.57 | 0.67 | 0.40 | 0.58 | 0.62 |
| Glutamic acid | ME356723 | 3.52 | 4.77 | 0.26 | 0.57 | 0.27 | 0.19 | 0.19 | 0.18 |
| Adenosyl Homocysteine | ME356706 | 2.35 | 2.06 | 1.16 | NA | NA | 0.09 | 0.02 | 0.23 |
Factors:
| F1 | Species:Fragilariopsis cylindrus | Salinity:31 | Temp_degC:-1 |
| F2 | Species:Navicula cf. perminuta | Salinity:31 | Temp_degC:-1 |
| F3 | Species:Navicula pelliculosa | Salinity:35 | Temp_degC:13 |
| F4 | Species:Nitzschia lecointei | Salinity:31 | Temp_degC:-1 |
| F5 | Species:Nitzschia lecointei | Salinity:32 | Temp_degC:-1 |
| F6 | Species:Nitzschia lecointei | Salinity:32 | Temp_degC:4 |
| F7 | Species:Nitzschia lecointei | Salinity:41 | Temp_degC:-1 |
| F8 | Species:Nitzschia lecointei | Salinity:41 | Temp_degC:4 |
