Clustering data with hclust algorithm for (Study ST002517)
HILIC NEGATIVE ION MODE (Analysis AN004146)| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Neg_Dodecyl sulfate_266.1549_1.118_ExRate1 | ME608274 | NA | 0.07 | 0.80 | 1.10 | 0.61 | 0.86 | 5.37 | 0.34 | 1.16 | 0.45 | 0.80 | 1.37 | NA | 0.38 | NA | 0.91 | 0.73 | NA | 1.42 | 0.59 | NA | 0.03 | NA | 0.24 | NA | NA | 1.12 | NA | NA | NA | NA | 2.38 | 0.39 | NA | 2.62 | 0.42 | 2.01 | 0.11 | NA | 1.51 | NA |
| Neg_L-Phenylalanine_165.0787_6.898_ExRate1 | ME608293 | 0.34 | 0.18 | NA | 3.14 | NA | 1.55 | 0.28 | 1.05 | 0.29 | 2.39 | 0.55 | 0.41 | 0.09 | NA | 0.28 | 0.34 | 0.27 | 1.39 | 0.41 | 0.62 | NA | 0.37 | 0.81 | NA | 0.41 | 0.28 | 7.58 | 0.19 | NA | NA | 0.41 | 1.00 | 2.03 | NA | 1.50 | 0.09 | NA | NA | 0.94 | NA | 1.07 |
| Neg_Thymidine_242.0901_2.694_ExRate0 | ME608316 | 0.05 | 1.69 | NA | 0.37 | 0.34 | 1.65 | NA | 0.72 | 0.10 | 2.24 | 0.17 | 1.62 | NA | 0.47 | 0.15 | 2.42 | 0.02 | 1.30 | 0.05 | 5.85 | NA | NA | NA | NA | NA | NA | 0.11 | NA | NA | NA | NA | 0.04 | 0.64 | NA | 0.13 | NA | 0.42 | NA | 0.06 | NA | 0.72 |
| Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTAZAXQPQHI-UHFFFAOYSA-N_132.0785_1.854_ExRate0 | ME608245 | 0.06 | 0.98 | 0.05 | 2.62 | 0.06 | 1.47 | 0.04 | 3.28 | 0.04 | 2.53 | 0.06 | 0.58 | 0.07 | 1.64 | 0.09 | 1.89 | 0.09 | 1.59 | 0.05 | 5.77 | NA | 0.06 | 0.03 | 0.04 | 0.23 | 0.05 | 0.56 | 0.03 | 0.05 | 0.03 | 0.06 | 0.07 | 0.74 | 0.05 | 3.86 | 0.06 | 0.98 | 0.02 | 2.01 | 0.05 | 1.66 |
| Neg_3-Phenyllactic acid_166.0628_2.249_ExRate0 | ME608248 | 0.01 | 1.56 | 0.02 | 2.41 | 0.04 | 1.43 | 0.01 | 2.81 | 0.08 | 1.55 | 0.03 | 0.91 | 0.06 | 1.42 | 0.05 | 1.34 | 0.04 | 1.44 | 0.01 | 5.20 | NA | 0.00 | NA | NA | 0.27 | 0.01 | 0.69 | 0.01 | NA | NA | 0.00 | 0.06 | 0.86 | 0.01 | 4.03 | 0.06 | 0.87 | 0.01 | 1.95 | 0.01 | 0.85 |
| Neg_Isoleucine_131.0943_7.219_ExRate1 | ME608281 | NA | 1.13 | NA | 0.68 | NA | 1.10 | NA | 1.59 | 0.25 | 1.13 | 0.28 | 0.47 | NA | 0.60 | NA | 0.79 | NA | 2.09 | 0.25 | 0.44 | NA | 0.24 | 0.81 | NA | 2.34 | NA | 1.15 | NA | NA | 0.26 | NA | NA | 1.42 | NA | 1.62 | NA | 0.93 | NA | 0.50 | NA | 0.91 |
| Neg_5-Aminovaleric acid_117.0787_7.79_ExRate1 | ME608255 | NA | 1.06 | NA | 0.35 | 0.08 | 1.15 | NA | 0.31 | NA | 1.56 | NA | 0.29 | NA | 0.34 | NA | 0.21 | NA | 0.29 | NA | 2.37 | NA | 0.08 | NA | NA | 0.67 | NA | 3.98 | NA | NA | NA | 3.37 | 0.16 | 0.52 | NA | 0.99 | NA | 0.03 | NA | 1.50 | NA | 0.53 |
| Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_173.105_2.095_ExRate0 | ME608302 | 0.33 | 1.46 | 0.32 | 1.25 | 0.46 | 1.55 | 0.27 | 1.08 | 0.43 | 1.68 | 0.33 | 1.21 | 0.26 | 0.79 | 0.45 | 1.68 | 0.79 | 0.91 | 0.32 | 1.60 | NA | 0.74 | 1.67 | 0.68 | 1.17 | 0.20 | 2.00 | 0.41 | 2.08 | 0.63 | 3.29 | 0.40 | 1.68 | 0.31 | 1.40 | 0.75 | 1.58 | 0.48 | 1.56 | 0.34 | 1.34 |
| Neg_Uracil_112.0271_2.425_ExRate0 | ME608336 | 0.03 | 1.56 | 0.03 | 1.56 | 0.06 | 1.20 | 0.04 | 2.03 | 0.10 | 1.68 | 0.03 | 1.28 | 0.03 | 1.28 | 0.10 | 1.35 | 0.07 | 1.11 | 0.04 | 2.48 | NA | 0.05 | 2.11 | 0.03 | 2.77 | 0.04 | 4.24 | 0.05 | 3.29 | 0.08 | 2.85 | 0.05 | 2.01 | 0.03 | 2.84 | 0.11 | 1.06 | 0.04 | 1.98 | 0.03 | 1.77 |
| Neg_Leucine_131.0943_7.039_ExRate0 | ME608297 | NA | 1.69 | 0.01 | 1.52 | 0.02 | 0.99 | 0.02 | 1.68 | 0.04 | 1.71 | NA | 1.14 | 0.01 | 1.07 | 0.03 | 1.15 | 0.02 | 1.01 | 0.01 | 2.74 | NA | 0.00 | 1.91 | 0.01 | 2.00 | 0.00 | 3.65 | 0.00 | 2.68 | 0.03 | 2.34 | 0.00 | 2.02 | 0.00 | 2.73 | 0.04 | 0.85 | 0.01 | 1.67 | 0.00 | 1.42 |
| Neg_DL-Tryptophan_204.0896_6.867_ExRate0 | ME608270 | 0.01 | 1.82 | 0.02 | 1.54 | 0.05 | 1.01 | 0.01 | 1.62 | 0.07 | 1.81 | 0.01 | 1.14 | 0.02 | 1.13 | 0.06 | 1.16 | 0.05 | 0.94 | 0.02 | 3.48 | NA | 0.03 | 2.28 | 0.01 | 2.45 | 0.01 | 3.83 | 0.01 | 3.05 | 0.05 | 2.90 | 0.02 | 2.42 | 0.02 | 2.75 | 0.07 | 0.85 | 0.03 | 1.75 | 0.01 | 1.40 |
| Neg_L-Phenylalanine_165.0787_6.898_ExRate0 | ME608292 | 0.05 | 1.99 | 0.02 | 1.74 | 0.04 | 1.05 | 0.02 | 1.66 | 0.09 | 1.98 | 0.01 | 1.17 | 0.02 | 1.14 | 0.07 | 1.31 | 0.05 | 1.03 | 0.03 | 3.33 | NA | 0.03 | 2.11 | 0.03 | 2.51 | 0.01 | 3.65 | 0.01 | 3.05 | 0.06 | 2.74 | 0.03 | 2.34 | 0.03 | 3.17 | 0.08 | 0.90 | 0.03 | 1.94 | 0.02 | 1.54 |
| Neg_L-Histidine_155.0692_9.495_ExRate0 | ME608289 | NA | 1.40 | NA | 1.32 | NA | 0.49 | NA | 0.79 | 0.17 | 1.51 | NA | 0.62 | NA | 0.37 | NA | 0.49 | NA | 0.31 | NA | 1.08 | NA | NA | 1.02 | NA | 0.95 | NA | 1.96 | NA | 1.50 | NA | 1.79 | NA | 0.94 | NA | 1.28 | NA | 0.39 | NA | 1.63 | NA | 1.39 |
| Neg_L-Cystine_240.0236_9.945_ExRate0 | ME608287 | NA | 1.43 | 0.00 | 0.98 | NA | 0.84 | NA | 0.90 | 0.08 | 1.60 | NA | 0.95 | 0.01 | 0.35 | NA | 0.84 | 0.05 | 0.37 | NA | 1.94 | NA | NA | 1.59 | 0.01 | 0.59 | NA | 4.02 | NA | 1.71 | NA | 2.17 | NA | 1.61 | 0.01 | 1.22 | 0.02 | 0.55 | 0.02 | 1.10 | NA | 1.19 |
| Neg_Ornithine_132.0896_9.477_ExRate0 | ME608308 | NA | 1.68 | NA | 1.51 | 0.01 | 1.05 | 0.01 | 1.12 | 0.14 | 1.45 | 0.01 | 1.22 | 0.01 | 0.63 | 0.01 | 0.77 | 0.01 | 0.50 | NA | 1.29 | NA | NA | 1.82 | NA | 1.65 | NA | 3.43 | NA | 2.24 | NA | 2.66 | NA | 1.80 | 0.00 | 1.63 | 0.09 | 0.90 | 0.00 | 1.45 | 0.00 | 1.21 |
| Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate0 | ME608299 | NA | 1.22 | NA | 1.00 | 0.04 | 0.93 | 0.02 | 1.41 | 0.15 | 1.47 | NA | 0.82 | 0.01 | 0.71 | 0.09 | 1.28 | 0.03 | 0.96 | 0.05 | 3.21 | NA | NA | 1.23 | NA | 1.35 | NA | 2.85 | NA | 1.85 | 0.03 | 1.60 | 0.01 | 1.54 | 0.01 | 2.18 | 0.09 | 1.01 | 0.02 | 1.34 | 0.05 | 1.59 |
| Neg_L-Tyrosine_181.0737_7.698_ExRate0 | ME608295 | NA | 1.07 | NA | 1.02 | 0.01 | 0.67 | 0.01 | 1.78 | 0.04 | 0.99 | NA | 0.73 | 0.01 | 0.58 | 0.01 | 0.68 | 0.01 | 0.56 | 0.01 | 2.62 | NA | 0.01 | 1.27 | NA | 1.63 | NA | 3.53 | NA | 1.98 | 0.01 | 1.61 | NA | 1.44 | NA | 2.51 | 0.02 | 0.45 | NA | 1.22 | NA | 0.90 |
| Neg_5-Aminovaleric acid_117.0787_7.79_ExRate0 | ME608254 | NA | 0.90 | NA | 0.88 | 0.00 | 0.54 | NA | 1.35 | 0.04 | 0.96 | NA | 0.68 | NA | 0.56 | 0.00 | 0.48 | NA | 0.49 | NA | 2.02 | NA | 0.00 | 1.51 | NA | 1.39 | NA | 2.79 | NA | 1.94 | NA | 1.39 | 0.00 | 1.33 | NA | 1.89 | 0.02 | 0.49 | NA | 0.91 | NA | 0.82 |
| Neg_Isoleucine_131.0943_7.219_ExRate0 | ME608280 | NA | 0.92 | NA | 0.93 | NA | 0.40 | NA | 1.20 | 0.01 | 0.87 | 0.00 | 0.49 | NA | 0.44 | 0.00 | 0.50 | NA | 0.36 | 0.00 | 2.19 | NA | 0.00 | 1.30 | NA | 1.63 | NA | 3.43 | NA | 2.19 | 0.00 | 1.65 | NA | 1.48 | NA | 2.12 | NA | 0.35 | NA | 0.84 | NA | 0.76 |
| Neg_Isophthalic acid_166.0264_1.78_ExRate0 | ME608283 | 0.68 | 0.76 | 0.57 | 0.68 | 0.59 | 0.60 | 2.45 | 2.32 | 1.08 | 1.57 | 0.75 | 0.66 | 0.66 | 0.67 | 1.01 | 0.75 | 0.81 | 0.75 | 0.65 | 1.27 | NA | 0.92 | 0.68 | 5.80 | 0.72 | 0.53 | 1.15 | 1.05 | 0.96 | 0.62 | 0.82 | 0.91 | 0.77 | 0.55 | 1.29 | 0.53 | 0.74 | 0.86 | 0.68 | 0.66 | 1.57 |
| Neg_N-Acetylvaline_159.0893_2.433_ExRate1 | ME608306 | NA | 0.09 | 1.92 | 0.82 | 0.94 | 1.68 | 1.08 | 0.88 | 2.91 | 0.37 | NA | 0.72 | 0.90 | 0.54 | 1.85 | 0.57 | 1.14 | 0.36 | 0.19 | NA | NA | NA | NA | NA | 0.16 | 0.68 | 0.86 | NA | NA | 0.51 | 0.91 | 1.56 | 0.49 | 0.48 | NA | NA | 0.70 | 2.75 | 0.62 | NA | 1.17 |
| Neg_Isophthalic acid_166.0264_1.78_ExRate2 | ME608285 | 0.32 | 0.45 | 1.38 | 0.58 | 0.83 | 0.88 | 0.86 | NA | 0.33 | 0.40 | 0.46 | 0.64 | 1.56 | 0.92 | 0.70 | 0.79 | 1.08 | 0.94 | 0.98 | 2.05 | NA | 0.47 | 0.46 | 1.67 | NA | NA | NA | NA | NA | NA | NA | 0.24 | 0.80 | 0.81 | 1.01 | 0.82 | 0.43 | 3.85 | 0.61 | 1.23 | 0.65 |
| Neg_N-Acetylvaline_159.0893_2.433_ExRate0 | ME608305 | 2.48 | 1.25 | 0.23 | 0.98 | 0.00 | 0.96 | 0.48 | 1.00 | 0.32 | 0.98 | 1.28 | 0.96 | 0.71 | 0.65 | 0.45 | 0.68 | 1.30 | 0.91 | 1.32 | 2.07 | NA | 1.33 | 1.18 | 1.32 | 0.45 | 0.00 | 2.77 | NA | 1.39 | 0.21 | 1.81 | 0.00 | 1.77 | 0.86 | 1.43 | 1.20 | 0.56 | 0.44 | 1.54 | 1.77 | 1.39 |
| Neg_Dodecyl sulfate_266.1549_1.118_ExRate0 | ME608273 | 0.76 | 0.68 | 0.41 | 0.90 | 0.89 | 2.18 | 2.95 | 1.05 | 0.79 | 0.74 | 1.35 | 0.70 | 0.78 | 0.77 | 0.83 | 0.95 | 1.12 | 0.61 | 1.14 | 0.67 | NA | 1.06 | 0.63 | 1.18 | 1.36 | 0.77 | 0.70 | 0.99 | 0.83 | 1.09 | 0.87 | 0.91 | 0.92 | 0.93 | 1.08 | 1.03 | 0.91 | 1.56 | 0.51 | 1.31 | 0.89 |
| Neg_Glutaric acid_132.0421_2.865_ExRate0 | ME608278 | 0.75 | 1.28 | 0.75 | 0.98 | 0.67 | 0.61 | 1.41 | 1.21 | 0.93 | 1.77 | 0.90 | 0.89 | 0.73 | 1.09 | 0.79 | 0.68 | 0.95 | 0.73 | 0.78 | 1.01 | NA | 0.75 | 1.29 | 0.94 | 1.32 | 0.76 | 1.86 | 0.73 | 1.95 | 0.79 | 1.07 | 0.93 | 0.99 | 0.74 | 2.13 | 0.60 | 0.51 | 0.94 | 1.03 | 0.82 | 1.42 |
| Neg_Azelaic acid_188.1046_1.448_ExRate0 | ME608257 | 0.73 | 1.01 | 0.67 | 0.89 | 0.72 | 0.64 | 2.47 | 0.93 | 0.83 | 1.16 | 0.95 | 1.32 | 0.71 | 0.89 | 0.76 | 0.80 | 1.21 | 0.54 | 0.83 | 1.44 | NA | 1.18 | 1.46 | 1.03 | 1.43 | 0.72 | 0.91 | 0.81 | 1.47 | 0.92 | 1.16 | 0.94 | 1.41 | 0.63 | 1.35 | 0.58 | 1.15 | 1.01 | 0.67 | 0.97 | 1.05 |
| Neg_Suberic acid_174.089_1.606_ExRate0 | ME608315 | 0.67 | 1.22 | 0.66 | 0.59 | 0.83 | 0.59 | 2.06 | 0.93 | 0.87 | 1.01 | 1.11 | 1.44 | 0.77 | 1.24 | 1.00 | 0.89 | 1.06 | 0.53 | 1.01 | 1.02 | NA | 1.12 | 1.57 | 1.25 | 1.08 | 1.01 | 0.81 | 0.89 | 1.15 | 1.10 | 1.17 | 1.15 | 1.36 | 0.55 | 1.21 | 0.73 | 0.92 | 0.86 | 0.76 | 0.97 | 1.19 |
| Neg_Pimelic acid_160.0734_1.786_ExRate0 | ME608314 | 1.09 | 1.25 | 0.95 | 0.82 | 0.88 | 0.59 | 1.68 | 0.78 | 1.07 | 1.39 | 1.44 | 1.09 | 1.22 | 0.81 | 0.92 | 0.75 | 1.26 | 0.64 | 0.99 | 1.10 | NA | 1.03 | 0.92 | 0.83 | 0.83 | 1.05 | 1.16 | 1.07 | 0.99 | 1.06 | 1.14 | 1.15 | 1.14 | 0.80 | 1.08 | 0.87 | 0.58 | 0.92 | 0.58 | 1.09 | 1.03 |
| Neg_Citraconic acid_130.0265_1.682_ExRate0 | ME608259 | 1.01 | 1.50 | 0.94 | 0.86 | 0.94 | 0.83 | 1.04 | 1.03 | 1.13 | 1.19 | 0.99 | 1.20 | 0.96 | 0.86 | 1.14 | 0.99 | 1.12 | 0.79 | 0.98 | 0.90 | NA | 1.06 | 0.82 | 1.00 | 0.78 | 1.05 | 1.38 | 1.00 | 0.91 | 1.03 | 0.96 | 1.19 | 0.93 | 0.81 | 0.92 | 1.01 | 0.95 | 1.02 | 0.83 | 1.00 | 0.94 |
| Neg_Fumaric acid_116.0107_1.713_ExRate0 | ME608276 | 1.16 | 1.43 | 1.01 | 0.78 | 0.95 | 0.82 | 1.27 | 0.92 | 1.25 | 1.01 | 1.10 | 1.01 | 0.94 | 0.78 | 1.14 | 0.90 | 1.28 | 0.68 | 1.07 | 0.74 | NA | 1.11 | 0.72 | 1.03 | 0.81 | 1.12 | 1.32 | 1.16 | 0.91 | 1.07 | 0.76 | 1.30 | 0.89 | 0.86 | 0.89 | 1.03 | 0.82 | 1.21 | 0.82 | 1.04 | 0.90 |
Factors:
| F1 | Strain:2243 | AcetateGroup:0 | TimePoint:TP3 | Time:23 |
| F2 | Strain:2243 | AcetateGroup:0 | TimePoint:TP5 | Time:39 |
| F3 | Strain:2243 | AcetateGroup:10L | TimePoint:TP3 | Time:23 |
| F4 | Strain:2243 | AcetateGroup:10L | TimePoint:TP5 | Time:39 |
| F5 | Strain:2243 | AcetateGroup:10 | TimePoint:TP3 | Time:23 |
| F6 | Strain:2243 | AcetateGroup:10 | TimePoint:TP5 | Time:39 |
| F7 | Strain:2243 | AcetateGroup:1L | TimePoint:TP3 | Time:23 |
| F8 | Strain:2243 | AcetateGroup:1L | TimePoint:TP5 | Time:39 |
| F9 | Strain:2243 | AcetateGroup:1 | TimePoint:TP3 | Time:23 |
| F10 | Strain:2243 | AcetateGroup:1 | TimePoint:TP5 | Time:39 |
| F11 | Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP3 | Time:23 |
| F12 | Strain:AB8n2 | AcetateGroup:0 | TimePoint:TP5 | Time:39 |
| F13 | Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP3 | Time:23 |
| F14 | Strain:AB8n2 | AcetateGroup:10L | TimePoint:TP5 | Time:39 |
| F15 | Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP3 | Time:23 |
| F16 | Strain:AB8n2 | AcetateGroup:10 | TimePoint:TP5 | Time:39 |
| F17 | Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP3 | Time:23 |
| F18 | Strain:AB8n2 | AcetateGroup:1L | TimePoint:TP5 | Time:39 |
| F19 | Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP3 | Time:23 |
| F20 | Strain:AB8n2 | AcetateGroup:1 | TimePoint:TP5 | Time:39 |
| F21 | Strain:- | AcetateGroup:- | TimePoint:- | Time:- |
| F22 | Strain:c | AcetateGroup:0 | TimePoint:TP3 | Time:23 |
| F23 | Strain:c | AcetateGroup:0 | TimePoint:TP5 | Time:39 |
| F24 | Strain:c | AcetateGroup:10L | TimePoint:TP3 | Time:23 |
| F25 | Strain:c | AcetateGroup:10L | TimePoint:TP5 | Time:39 |
| F26 | Strain:c | AcetateGroup:10 | TimePoint:TP3 | Time:23 |
| F27 | Strain:c | AcetateGroup:10 | TimePoint:TP5 | Time:39 |
| F28 | Strain:c | AcetateGroup:1L | TimePoint:TP3 | Time:23 |
| F29 | Strain:c | AcetateGroup:1L | TimePoint:TP5 | Time:39 |
| F30 | Strain:c | AcetateGroup:1 | TimePoint:TP3 | Time:23 |
| F31 | Strain:c | AcetateGroup:1 | TimePoint:TP5 | Time:39 |
| F32 | Strain:Valencia | AcetateGroup:0 | TimePoint:TP3 | Time:23 |
| F33 | Strain:Valencia | AcetateGroup:0 | TimePoint:TP5 | Time:39 |
| F34 | Strain:Valencia | AcetateGroup:10L | TimePoint:TP3 | Time:23 |
| F35 | Strain:Valencia | AcetateGroup:10L | TimePoint:TP5 | Time:39 |
| F36 | Strain:Valencia | AcetateGroup:10 | TimePoint:TP3 | Time:23 |
| F37 | Strain:Valencia | AcetateGroup:10 | TimePoint:TP5 | Time:39 |
| F38 | Strain:Valencia | AcetateGroup:1L | TimePoint:TP3 | Time:23 |
| F39 | Strain:Valencia | AcetateGroup:1L | TimePoint:TP5 | Time:39 |
| F40 | Strain:Valencia | AcetateGroup:1 | TimePoint:TP3 | Time:23 |
| F41 | Strain:Valencia | AcetateGroup:1 | TimePoint:TP5 | Time:39 |
