Clustering data with hclust algorithm for Comprehensive Profiling by Non-targeted Stable Isotope Tracing Capillary Electrophoresis-Mass Spectrometry (Study ST001167)
CE-MS NEGATIVE ION MODE (Analysis AN001930)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Fructose 1,6-diphosphate_M+0 | ME279173 | 0.33 | 6.63 | 0.30 | 0.40 | 0.24 | 0.29 | 0.23 | 1.42 | 0.28 | 0.28 | 0.41 | 0.48 |
| Dihydroxyacetone phosphate_M+0 | ME279150 | 0.56 | 4.30 | 0.30 | 0.40 | 0.40 | NA | 0.51 | 1.49 | 0.23 | 0.21 | 0.39 | NA |
| Glucose 6-phosphate_M+0 | ME278828 | 0.45 | 4.61 | 0.31 | 0.62 | 0.26 | 0.10 | 0.38 | 2.62 | 0.25 | 0.28 | 0.35 | NA |
| N-Acetylaspartic acid_M+2 | ME279168 | NA | NA | 0.04 | 0.06 | 0.01 | 0.25 | 0.04 | 0.05 | 1.39 | 3.96 | 0.41 | 3.05 |
| Uric acid_M+0 | ME278629 | 0.50 | NA | 0.62 | NA | 3.66 | NA | 0.52 | 0.63 | NA | 0.64 | NA | 0.82 |
| 3-Hydroxybutyric acid_M+0 | ME278796 | 0.35 | 0.34 | 0.97 | 0.52 | NA | 0.46 | 1.85 | 0.44 | NA | NA | 2.27 | NA |
| Glyceraldehyde 3-phosphate_M+3 | ME279041 | 0.96 | NA | 0.34 | 1.15 | 0.39 | 0.36 | 0.91 | NA | NA | NA | 1.48 | NA |
| N-Acetylaspartic acid_M+0 | ME279166 | 0.02 | 0.07 | 0.04 | 0.03 | 0.02 | 0.13 | 1.95 | 2.56 | 1.25 | 2.00 | 1.47 | 1.97 |
| N-Acetylglutamic acid_M+0 | ME279158 | 0.17 | 0.41 | 0.22 | 0.21 | 0.17 | 0.18 | 1.74 | 2.34 | 0.94 | 1.78 | 1.14 | 1.68 |
| N-Acetyl-β-alanine_M+2 | ME278654 | 0.45 | 0.82 | 0.73 | 0.65 | NA | 0.13 | 1.94 | 1.87 | NA | 1.41 | NA | 0.85 |
| N-Acetyl-β-alanine_M+3 | ME278655 | 0.52 | 1.04 | 0.55 | 0.77 | 0.30 | 0.69 | 2.78 | 1.91 | 0.67 | 1.57 | 0.44 | 1.26 |
| CMP-N-acetylneuraminate_M+0 | ME278427 | 0.74 | 0.59 | 0.03 | 0.03 | 0.26 | NA | 1.91 | 4.71 | 0.04 | 0.03 | 0.21 | 0.03 |
| CMP-N-acetylneuraminate_M+1 | ME278428 | 0.53 | 0.85 | 0.11 | NA | 0.29 | NA | 1.46 | 3.44 | 0.08 | 0.06 | 0.50 | NA |
| GDP-mannose or GDP-galactose_M+2 | ME278512 | 0.30 | 0.48 | 0.02 | 0.01 | 0.07 | NA | 2.94 | 3.27 | 0.60 | 0.15 | 1.75 | NA |
| UDP-N-acetylglucosamine_M+0 | ME278544 | 0.30 | 0.48 | 0.02 | 0.01 | 0.07 | NA | 2.94 | 3.26 | 0.61 | 0.15 | 1.75 | NA |
| GDP-mannose or GDP-galactose_M+3 | ME278513 | 0.29 | 0.44 | 0.02 | NA | 0.05 | NA | 2.62 | 2.83 | 0.59 | 0.15 | 1.60 | NA |
| UDP-N-acetylglucosamine_M+1 | ME278545 | 0.29 | 0.44 | 0.02 | NA | 0.07 | NA | 2.61 | 2.81 | 0.59 | 0.16 | 1.59 | NA |
| N-Acetylneuraminic acid_M+0 | ME278298 | 0.43 | 0.18 | 0.15 | 0.12 | 0.23 | 0.06 | 1.89 | 2.10 | 1.67 | 1.74 | 2.32 | 0.32 |
| Hippuric acid_M+0 | ME278562 | 0.28 | 0.37 | 0.23 | 0.20 | 0.26 | 0.41 | 2.23 | 2.44 | 1.04 | 0.59 | 1.67 | 0.81 |
| FAD_divalent_M+0 | ME278378 | 0.40 | 0.43 | 0.30 | 0.29 | 0.46 | NA | 1.77 | 1.91 | 1.28 | 0.75 | 1.95 | NA |
| GDP-mannose or GDP-galactose_M+4 | ME278514 | 0.18 | 0.31 | 0.11 | 0.06 | 0.15 | NA | 2.32 | 2.19 | 1.35 | 0.74 | 1.93 | NA |
| UDP-N-acetylglucosamine_M+2 | ME278546 | 0.24 | 0.38 | 0.10 | 0.08 | 0.16 | NA | 2.28 | 2.47 | 1.27 | 0.73 | 1.88 | NA |
| UDP-glucuronic acid_M+0 | ME278957 | 1.20 | 1.48 | 0.02 | 0.02 | 0.25 | NA | 2.27 | 2.08 | 0.34 | 0.08 | 1.39 | NA |
| NADPH_divalent_M+0 | ME278984 | 0.74 | 0.90 | 0.30 | 0.11 | 0.68 | NA | 2.22 | 2.15 | 0.62 | 0.17 | 1.10 | NA |
| NAD+_M+0 | ME278239 | 0.85 | 1.16 | 0.34 | 0.11 | 0.74 | 0.01 | 2.16 | 2.40 | 0.59 | 0.16 | 1.64 | NA |
| NAD+_M+1 | ME278240 | 0.83 | 1.15 | 0.35 | 0.13 | 0.73 | NA | 2.07 | 2.31 | 0.59 | 0.15 | 1.58 | NA |
| GDP_M+1 | ME278910 | 1.04 | 1.33 | 0.19 | 0.28 | 0.53 | NA | 1.52 | 1.61 | 0.36 | NA | 0.93 | NA |
| GMP_M+0 | ME278665 | 1.15 | 1.57 | 0.31 | 0.57 | 0.41 | NA | 1.32 | 1.57 | 0.28 | 0.35 | 1.12 | NA |
| UMP_M+0 | ME278835 | 0.94 | 1.91 | 0.42 | 0.24 | 0.55 | NA | 1.34 | 2.46 | 0.62 | 0.41 | 0.99 | NA |
| UMP_M+1 | ME278836 | 0.85 | 1.73 | 0.41 | 0.31 | 0.61 | NA | 1.53 | 2.07 | 0.59 | 0.43 | 0.85 | NA |
| ATP_M+0 | ME279073 | 1.22 | 1.64 | 0.67 | 0.39 | 1.16 | 0.02 | 2.04 | 2.10 | 0.85 | 0.46 | 1.49 | 0.06 |
| ATP_M+1 | ME279074 | 1.14 | 1.50 | 0.66 | 0.46 | 1.08 | 0.03 | 1.81 | 1.90 | 0.90 | 0.63 | 1.40 | 0.07 |
| AMP or dGMP_M+1 | ME278700 | 1.28 | 1.22 | 0.42 | 0.76 | 0.64 | NA | 1.57 | 1.51 | 0.55 | 0.49 | 1.30 | NA |
| AMP or dGMP_M+0 | ME278699 | 1.40 | 1.37 | 0.40 | 0.44 | 0.76 | NA | 1.69 | 1.68 | 0.46 | 0.40 | 1.43 | NA |
| ADP_M+0 | ME278940 | 1.13 | 1.45 | 0.48 | 0.36 | 0.90 | 0.02 | 1.72 | 1.85 | 0.58 | 0.39 | 1.39 | NA |
| ADP_M+1 | ME278941 | 1.07 | 1.34 | 0.50 | 0.42 | 0.86 | NA | 1.58 | 1.69 | 0.62 | 0.55 | 1.35 | NA |
| GDP_M+0 | ME278909 | 1.31 | 1.79 | 0.32 | 0.29 | 0.66 | NA | 1.83 | 1.99 | 0.43 | 0.27 | 1.09 | NA |
| GTP_M+0 | ME279027 | 1.25 | 1.73 | 0.38 | 0.29 | 0.78 | NA | 1.83 | 2.05 | 0.48 | 0.31 | 0.89 | NA |
| GTP_M+1 | ME279028 | 1.23 | 1.69 | 0.38 | 0.28 | 0.77 | NA | 1.80 | 1.96 | 0.54 | 0.46 | 0.90 | NA |
| UTP_M+0 | ME279137 | 1.13 | 1.69 | 0.38 | 0.23 | 0.76 | 0.01 | 2.14 | 2.18 | 0.82 | 0.35 | 1.28 | 0.01 |
| UTP_M+1 | ME279138 | 1.00 | 1.48 | 0.40 | 0.26 | 0.72 | NA | 1.83 | 1.88 | 0.79 | 0.46 | 1.12 | NA |
| UDP_M+0 | ME279042 | 1.05 | 1.44 | 0.27 | 0.25 | 0.56 | NA | 1.99 | 2.01 | 0.60 | 0.38 | 1.36 | NA |
| UDP_M+1 | ME279043 | 1.00 | 1.43 | 0.22 | 0.26 | 0.53 | NA | 1.94 | 2.01 | 0.62 | 0.49 | 1.38 | NA |
| CoA_divalent_M+0 | ME278887 | 0.53 | 0.88 | 0.35 | 0.33 | 0.71 | NA | 2.19 | 1.38 | 0.90 | 0.33 | 2.06 | NA |
| dTTP_M+0 | ME279088 | 0.50 | 0.84 | 0.41 | NA | 0.44 | NA | 1.68 | 1.51 | 1.19 | 0.37 | 1.27 | NA |
| N-Acetylglucosamine 1-phosphate_M+0 | ME278801 | 1.20 | 0.78 | 0.28 | NA | 0.50 | NA | 1.30 | 1.72 | 0.81 | 0.57 | 1.10 | NA |
| Glucuronic acid_M+0 | ME278420 | 0.77 | 1.24 | 0.78 | 0.68 | 0.90 | NA | 1.04 | 1.00 | 0.67 | NA | 1.32 | NA |
| CMP_M+0 | ME278810 | 0.84 | 1.04 | 0.36 | 0.52 | 1.08 | NA | 1.55 | 1.31 | 0.61 | 0.45 | 2.00 | NA |
| CDP_M+0 | ME279017 | 0.79 | 1.20 | 0.44 | 0.47 | 0.71 | NA | 1.64 | 1.69 | 0.76 | 0.51 | 1.67 | NA |
| NAD+_M+2 | ME278241 | 0.56 | 0.92 | 0.59 | 0.35 | 0.77 | NA | 1.61 | 1.82 | 1.03 | 0.47 | 1.70 | NA |
| CDP_M+1 | ME279018 | 0.69 | 1.09 | 0.58 | 0.64 | 0.77 | NA | 1.17 | 1.57 | 0.76 | 0.51 | 1.37 | NA |
| CTP_M+0 | ME279117 | 0.81 | 1.33 | 0.62 | 0.39 | 0.94 | NA | 1.51 | 1.58 | 0.94 | 0.46 | 1.37 | NA |
| CTP_M+1 | ME279118 | 0.89 | 1.33 | 0.66 | 0.44 | 1.03 | NA | 1.40 | 1.44 | 0.93 | 0.49 | 1.37 | NA |
| ADP-glucose or GDP-fucose_M+0 | ME278527 | 0.64 | 1.20 | NA | NA | 0.17 | NA | 1.37 | 1.50 | NA | NA | 0.41 | NA |
| UDP-glucose or UDP-galactose_M+1 | ME278607 | 0.45 | 1.46 | NA | NA | 0.06 | NA | 1.03 | 1.63 | NA | NA | 0.06 | NA |
| cAMP_M+0 | ME278322 | 0.09 | NA | NA | NA | NA | NA | 1.67 | 1.80 | 0.68 | 0.27 | 0.81 | NA |
| dTDP-glucose_M+0 | ME278589 | 0.16 | 0.26 | NA | NA | NA | NA | 1.93 | 2.02 | 0.41 | 0.12 | 1.23 | NA |
| NADP+_M+1 | ME278724 | 0.45 | 0.56 | NA | NA | 0.35 | NA | 1.26 | 1.63 | NA | NA | 0.85 | NA |
| UDP-glucuronic acid_M+1 | ME278958 | 0.97 | 1.18 | NA | NA | 0.16 | NA | 1.83 | 1.69 | 0.28 | 0.07 | 1.15 | NA |
| UDP-glucuronic acid_M+2 | ME278959 | 0.72 | 1.13 | NA | NA | 0.28 | NA | 1.81 | 1.70 | 0.30 | 0.14 | 1.03 | NA |
| NADH_M+0 | ME278473 | 0.43 | 0.79 | 0.25 | NA | 0.44 | NA | 1.62 | 1.69 | 0.42 | NA | 1.18 | NA |
| NADP+_M+0 | ME278723 | 0.44 | 0.62 | 0.24 | NA | 0.43 | NA | 1.76 | 2.12 | 0.45 | NA | 1.28 | NA |
| 5-Oxoproline_M+5 | ME278766 | NA | 0.53 | NA | 0.83 | 0.82 | 0.55 | 1.79 | 0.88 | 1.24 | NA | 1.73 | 0.75 |
| CMP-N-acetylneuraminate_M+2 | ME278429 | NA | 0.55 | 0.44 | 0.34 | 0.48 | 0.26 | 1.13 | 2.25 | 1.67 | NA | 1.56 | 0.49 |
| Lactic acid_M+0 | ME278920 | 0.35 | 2.37 | 0.46 | 0.69 | 0.39 | 0.33 | 0.66 | 3.36 | 0.77 | 1.18 | 0.80 | 0.31 |
| Lactic acid_M+1 | ME278921 | 0.37 | 1.76 | 0.62 | 1.03 | 0.41 | 0.36 | 0.63 | 2.44 | 0.95 | 1.91 | 0.79 | 0.43 |
| Glucose 1-phosphate_M+0 | ME278870 | 1.04 | 2.48 | 0.28 | 0.46 | 0.36 | 0.33 | 1.80 | 2.36 | 0.33 | 0.37 | 0.39 | NA |
| UDP-glucose or UDP-galactose_M+0 | ME278606 | 0.88 | 2.87 | 0.04 | 0.02 | 0.11 | NA | 2.04 | 3.27 | 0.09 | 0.02 | 0.16 | NA |
| Sedoheptulose 7-phosphate_M+0 | ME278820 | 0.90 | 2.16 | 0.52 | NA | 0.75 | NA | 0.55 | 1.11 | NA | NA | 0.31 | NA |
| 2,3-Diphosphoglyceric acid_M+0 | ME279214 | 0.21 | 2.98 | 0.35 | 0.27 | 0.44 | NA | 0.31 | 1.71 | NA | NA | 0.24 | NA |
| Fructose 6-phosphate_M+0 | ME278863 | 0.49 | 2.47 | 0.20 | 0.61 | NA | 0.26 | 0.44 | 1.73 | 0.25 | 0.22 | 0.28 | NA |
| 3-Phosphoglyceric acid_M+0 | ME279218 | NA | 1.61 | 0.26 | NA | NA | NA | 0.21 | 1.89 | 0.27 | 0.51 | 0.32 | NA |
| 6-Phosphogluconic acid_M+0 | ME279180 | 0.28 | 2.19 | 0.25 | 0.36 | NA | NA | 0.28 | 2.59 | 0.30 | 0.35 | 0.24 | NA |
| GDP-mannose or GDP-galactose_M+8 | ME278518 | 0.07 | NA | 0.27 | 0.21 | 0.58 | 0.03 | 0.07 | NA | 3.24 | 1.95 | 3.16 | 0.09 |
| UDP-N-acetylglucosamine_M+6 | ME278550 | 0.08 | NA | 0.27 | 0.22 | 0.58 | 0.03 | 0.07 | NA | 3.22 | 1.93 | 3.14 | 0.11 |
| GDP-mannose or GDP-galactose_M+11 | ME278521 | NA | NA | 0.42 | 0.38 | 0.13 | 0.08 | NA | NA | 2.40 | 3.31 | 0.14 | 0.09 |
| UDP-N-acetylglucosamine_M+9 | ME278553 | NA | NA | 0.43 | 0.52 | 0.32 | NA | NA | NA | 1.90 | 2.61 | 0.92 | 0.13 |
| UDP-N-acetylglucosamine_M+4 | ME278548 | 0.48 | NA | 0.19 | 0.30 | 0.23 | NA | 0.23 | 0.20 | 2.16 | 2.58 | 1.93 | NA |
| GDP-mannose or GDP-galactose_M+7 | ME278517 | NA | NA | 0.22 | 0.19 | 0.29 | 0.05 | NA | NA | 2.62 | 2.29 | 1.90 | 0.25 |
| UDP-N-acetylglucosamine_M+5 | ME278549 | NA | NA | 0.23 | 0.21 | 0.29 | 0.07 | NA | NA | 2.59 | 2.28 | 1.90 | 0.26 |
| GDP-mannose or GDP-galactose_M+10 | ME278520 | NA | NA | 0.40 | 0.37 | 0.40 | 0.02 | NA | NA | 2.33 | 2.18 | 1.35 | 0.06 |
| UDP-N-acetylglucosamine_M+8 | ME278552 | 0.02 | NA | 0.45 | 0.42 | 0.46 | 0.02 | NA | NA | 2.66 | 2.47 | 1.54 | 0.09 |
| GDP-mannose or GDP-galactose_M+9 | ME278519 | NA | NA | 0.32 | 0.38 | 0.32 | 0.04 | NA | NA | 2.28 | 2.62 | 1.52 | 0.11 |
| UDP-N-acetylglucosamine_M+7 | ME278551 | 0.03 | NA | 0.38 | 0.43 | 0.40 | 0.04 | 0.02 | NA | 2.44 | 2.83 | 1.70 | 0.13 |
| GDP-mannose or GDP-galactose_M+6 | ME278516 | 0.53 | NA | 0.16 | 0.16 | 0.40 | NA | 0.69 | 0.19 | 1.84 | 2.69 | 0.60 | NA |
| N-Acetylneuraminic acid_M+3 | ME278301 | 0.34 | NA | 0.40 | NA | 0.36 | NA | 0.38 | NA | 1.40 | 2.09 | 1.26 | NA |
| 5-Oxoproline_M+4 | ME278765 | NA | 1.42 | 2.26 | 1.15 | NA | 0.88 | NA | 0.59 | 1.32 | 0.39 | 1.77 | 0.68 |
| 5-Oxohexanoic acid_M+3 | ME278661 | 0.76 | NA | 0.46 | 2.34 | 0.38 | 1.16 | NA | NA | NA | 0.33 | 0.42 | 0.32 |
| N-Acetyl-β-alanine_M+4 | ME278656 | NA | 0.26 | 1.65 | 2.87 | NA | 1.78 | 0.39 | 0.28 | 1.10 | 0.26 | 0.72 | 0.24 |
| 5-Oxohexanoic acid_M+0 | ME278658 | NA | 0.61 | 0.99 | NA | 0.93 | 1.03 | 0.68 | 1.07 | NA | 1.71 | 1.63 | 0.77 |
| NAD+_M+19 | ME278258 | NA | NA | 2.27 | NA | 0.98 | 1.07 | NA | 0.75 | NA | 0.81 | 0.72 | 0.64 |
| 3@4-Methyl-2-oxovaleric acid_M+2 | ME278769 | NA | 0.77 | NA | NA | NA | 1.49 | 0.68 | 0.72 | 0.95 | 1.42 | 1.04 | 1.07 |
| N-Acetylaspartic acid_M+1 | ME279167 | NA | NA | NA | NA | NA | 0.17 | 0.77 | 1.03 | 0.75 | 1.70 | 0.66 | 1.52 |
| N-Acetylglutamic acid_M+1 | ME279159 | NA | NA | NA | NA | NA | NA | 0.67 | 0.84 | 0.62 | 1.53 | 0.57 | 1.36 |
| 3@4-Methyl-2-oxovaleric acid_M+6 | ME278773 | NA | NA | 0.86 | 0.77 | 0.70 | 1.66 | NA | NA | 0.69 | 0.99 | 1.28 | 1.26 |
| 5-Oxohexanoic acid_M+6 | ME278664 | NA | NA | 1.09 | 0.67 | 0.78 | 1.19 | NA | NA | 0.56 | NA | 1.08 | 1.17 |
| Ribose 5-phosphate_M+5 | ME278886 | 0.38 | NA | 0.68 | 0.45 | 1.44 | 0.93 | 1.16 | NA | 0.62 | 1.18 | 1.83 | 1.40 |
| cGMP_M+0 | ME278343 | NA | NA | NA | 1.03 | NA | 0.52 | 0.67 | 0.42 | NA | 0.93 | 1.29 | 2.36 |
| Hippuric acid_M+2 | ME278564 | NA | NA | 0.47 | 0.53 | 0.22 | 0.77 | 0.43 | NA | 1.76 | 1.37 | 1.65 | 1.55 |
| Glycerol 3-phosphate_M+3 | ME279087 | 0.74 | NA | 0.72 | 1.12 | 0.52 | 0.65 | 0.88 | NA | 0.91 | 1.34 | 0.99 | 1.95 |
| Phosphoenolpyruvic acid_M+3 | ME279225 | 0.54 | NA | 0.82 | 0.79 | NA | 0.58 | 0.74 | NA | 1.00 | 1.07 | 1.20 | 1.76 |
| Glucose 1-phosphate_M+6 | ME278876 | 0.41 | NA | 0.83 | 1.40 | 0.69 | 0.54 | 0.45 | NA | 1.02 | 1.06 | 0.96 | 2.41 |
| Pyruvic acid_M+3 | ME279157 | NA | NA | 0.67 | 0.94 | 0.63 | 0.63 | 0.62 | NA | 0.88 | 1.20 | 1.30 | 2.12 |
| Malic acid_M+2 | ME279233 | 0.11 | 0.11 | 1.59 | 1.95 | 0.64 | 1.02 | 0.13 | 0.14 | 1.16 | 2.68 | 0.56 | 1.58 |
| trans-Cinnamic acid?_M+1 | ME278636 | 0.08 | 0.07 | 1.64 | 2.29 | 0.51 | 1.00 | 0.11 | 0.10 | 1.17 | 2.72 | 0.53 | 1.44 |
| 5-Oxoproline_M+2 | ME278763 | 0.24 | 0.30 | 0.83 | 1.32 | 0.43 | 0.47 | 0.38 | 0.48 | 0.97 | 3.47 | 0.62 | 1.49 |
| Lactic acid_M+2 | ME278922 | 0.37 | 0.21 | 0.98 | 1.73 | 0.56 | 0.46 | 0.57 | 0.28 | 1.28 | 3.20 | 0.81 | 1.28 |
| Lactic acid_M+3 | ME278923 | 0.30 | NA | 0.89 | 1.54 | 0.51 | 0.40 | 0.50 | 0.00 | 1.13 | 2.71 | 0.72 | 1.25 |
| GDP-mannose or GDP-galactose_M+12 | ME278522 | NA | NA | 0.37 | 0.58 | 0.21 | 0.12 | NA | NA | 1.61 | 2.88 | 0.54 | 1.50 |
| UDP-N-acetylglucosamine_M+10 | ME278554 | NA | NA | 0.41 | 0.60 | 0.22 | 0.17 | NA | NA | 1.56 | 2.81 | 0.58 | 1.45 |
| N-Acetylglutamic acid_M+2 | ME279160 | NA | NA | 0.15 | 0.23 | NA | 0.21 | NA | NA | 0.90 | 2.86 | 0.35 | 2.30 |
| GDP-mannose or GDP-galactose_M+13 | ME278523 | NA | NA | 0.27 | 0.36 | 0.21 | 0.27 | NA | NA | 1.33 | 2.13 | 0.52 | 2.71 |
| UDP-N-acetylglucosamine_M+11 | ME278555 | NA | NA | 0.27 | 0.36 | 0.21 | 0.27 | NA | NA | 1.33 | 2.13 | 0.53 | 2.71 |
| GDP-mannose or GDP-galactose_M+16 | ME278526 | NA | NA | 0.35 | 0.54 | 0.05 | 0.68 | NA | NA | 0.56 | 2.47 | 0.08 | 3.01 |
| UDP-N-acetylglucosamine_M+14 | ME278558 | NA | NA | 0.38 | 0.56 | 0.06 | 0.67 | NA | NA | 0.61 | 2.44 | 0.12 | 2.93 |
| GDP-mannose or GDP-galactose_M+15 | ME278525 | NA | NA | 0.39 | 0.56 | 0.12 | 0.39 | NA | NA | 0.91 | 2.48 | 0.21 | 2.72 |
| UDP-N-acetylglucosamine_M+13 | ME278557 | NA | NA | 0.39 | 0.56 | 0.12 | 0.39 | NA | NA | 0.91 | 2.48 | 0.22 | 2.71 |
| GDP-mannose or GDP-galactose_M+14 | ME278524 | NA | NA | 0.28 | 0.44 | 0.09 | 0.39 | NA | NA | 0.97 | 2.53 | 0.27 | 2.81 |
| UDP-N-acetylglucosamine_M+12 | ME278556 | NA | NA | 0.30 | 0.45 | 0.12 | 0.38 | NA | NA | 0.96 | 2.50 | 0.29 | 2.78 |
| NAD+_M+9 | ME278248 | NA | NA | 0.44 | 1.24 | NA | 0.53 | NA | NA | 1.17 | 2.38 | 0.27 | 0.97 |
| GDP_M+7 | ME278916 | NA | NA | 0.41 | 0.61 | NA | 0.37 | NA | NA | 0.62 | 2.26 | 0.46 | 1.26 |
| NADH_M+10 | ME278483 | NA | NA | 0.40 | 0.82 | NA | 0.29 | NA | NA | 0.62 | 1.79 | NA | 1.10 |
| Threonic acid_M+4 | ME278698 | NA | NA | 0.61 | 0.86 | 0.26 | 0.67 | 0.07 | NA | 1.03 | 2.52 | 0.74 | 1.36 |
| GTP_M+7 | ME279034 | NA | NA | 0.47 | 0.70 | 0.19 | 0.52 | NA | NA | 0.90 | 2.35 | 0.51 | 1.71 |
| GDP_M+6 | ME278915 | NA | NA | 0.58 | 1.11 | 0.23 | 0.56 | NA | NA | 0.87 | 2.35 | 0.55 | 1.55 |
| GTP_M+6 | ME279033 | NA | NA | 0.69 | 0.99 | 0.26 | 0.65 | NA | NA | 1.07 | 2.10 | 0.47 | 1.59 |
| ADP_M+7 | ME278947 | NA | NA | 0.36 | 0.82 | 0.12 | 0.54 | NA | NA | 0.73 | 2.41 | 0.35 | 2.44 |
| ATP_M+6 | ME279079 | NA | NA | 0.62 | 1.00 | 0.23 | 0.71 | 0.02 | NA | 1.09 | 2.19 | 0.43 | 2.27 |
| ADP_M+6 | ME278946 | NA | NA | 0.46 | 1.03 | 0.18 | 0.63 | NA | NA | 0.78 | 2.13 | 0.42 | 2.16 |
| ATP_M+7 | ME279080 | NA | NA | 0.49 | 0.76 | 0.18 | 0.61 | NA | NA | 0.91 | 2.19 | 0.38 | 2.27 |
| AMP or dGMP_M+6 | ME278705 | NA | NA | 0.33 | 1.18 | 0.19 | 0.52 | NA | NA | 0.70 | 1.89 | 0.46 | 1.91 |
| NAD+_M+10 | ME278249 | NA | NA | 0.45 | 1.06 | 0.08 | 1.01 | NA | NA | 1.03 | 1.98 | 0.30 | 1.87 |
| dTTP_M+5 | ME279093 | NA | NA | 0.47 | 0.53 | NA | 0.43 | NA | NA | 1.08 | 1.46 | 0.44 | 2.08 |
| AMP or dGMP_M+7 | ME278706 | NA | NA | 0.37 | 0.60 | NA | 0.48 | NA | NA | 0.38 | 1.62 | 0.32 | 1.62 |
| NADPH_divalent_M+5 | ME278989 | NA | NA | 0.43 | 0.98 | NA | 0.67 | NA | NA | 0.97 | 1.43 | 0.29 | 1.71 |
| CoA_divalent_M+3 | ME278890 | NA | NA | NA | 0.60 | NA | 0.38 | NA | NA | 0.88 | 1.46 | 0.33 | 1.62 |
| NADP+_M+10 | ME278733 | NA | NA | 0.26 | 0.66 | NA | 0.59 | NA | NA | 0.74 | 1.52 | 0.23 | 1.87 |
| N-Acetylneuraminic acid_M+9 | ME278307 | NA | NA | 0.50 | 0.56 | 0.46 | 1.00 | NA | NA | 0.67 | 1.76 | 0.36 | 2.23 |
| CMP-N-acetylneuraminate_M+14 | ME278441 | NA | NA | 0.54 | 0.82 | NA | 0.68 | NA | NA | 0.57 | 1.46 | NA | 1.93 |
| N-Acetylneuraminic acid_M+11 | ME278309 | NA | NA | 0.65 | 0.78 | 0.26 | 0.93 | NA | NA | 0.41 | 1.57 | NA | 1.88 |
| UDP-N-acetylglucosamine_M+16 | ME278560 | NA | NA | 0.15 | 0.30 | NA | 0.90 | NA | NA | 0.26 | 1.62 | NA | 2.38 |
| NAD+_M+11 | ME278250 | NA | NA | 0.27 | 0.71 | NA | 0.76 | NA | NA | 0.74 | 2.05 | 0.19 | 2.29 |
| NAD+_M+12 | ME278251 | NA | NA | 0.16 | 0.51 | NA | 0.58 | NA | NA | 0.54 | 2.00 | 0.14 | 2.43 |
| UDP-N-acetylglucosamine_M+15 | ME278559 | NA | NA | 0.34 | 0.53 | 0.05 | 0.70 | NA | NA | 0.45 | 2.03 | 0.04 | 2.42 |
| dTDP-glucose_M+13 | ME278602 | NA | NA | 0.30 | 0.27 | NA | 0.23 | NA | NA | 0.68 | 1.71 | NA | 1.88 |
| ATP_M+8 | ME279081 | NA | NA | 0.21 | 0.31 | NA | 0.26 | NA | NA | 0.53 | 2.38 | 0.15 | 2.33 |
| N-Acetylaspartic acid_M+4 | ME279170 | NA | NA | NA | 0.08 | NA | 0.28 | NA | NA | 0.41 | 2.18 | 0.08 | 1.82 |
| Citric acid_M+5 | ME279252 | NA | NA | 1.15 | 1.74 | 0.13 | 1.74 | NA | NA | 0.18 | 1.01 | 0.06 | 0.64 |
| Citric acid_M+3 | ME279250 | NA | NA | 1.29 | 1.79 | 0.35 | 1.17 | NA | NA | 0.43 | 1.42 | 0.13 | 0.83 |
| Citric acid_M+4 | ME279251 | NA | NA | 1.39 | 2.01 | 0.28 | 1.30 | NA | NA | 0.34 | 1.18 | 0.07 | 0.78 |
| p-Toluic acid-M+0 | ME278676 | 0.09 | 0.07 | 0.97 | 1.82 | 0.10 | 1.24 | 0.08 | 0.07 | 0.96 | 2.36 | 0.71 | 0.99 |
| trans-Cinnamic acid?_M+2 | ME278637 | 0.02 | NA | 1.04 | 1.84 | 0.21 | 1.38 | 0.05 | 0.05 | 0.58 | 2.36 | 0.24 | 1.16 |
| trans-Cinnamic acid?_M+3 | ME278638 | NA | 0.01 | 1.19 | 1.79 | 0.13 | 1.61 | NA | NA | 0.40 | 1.84 | 0.10 | 0.97 |
| Gluconic acid_M+6 | ME278464 | NA | NA | 1.03 | 1.75 | 0.17 | 1.17 | NA | NA | 0.42 | 1.85 | 0.32 | 1.09 |
| Malic acid_M+3 | ME279234 | NA | NA | 1.11 | 1.38 | 0.25 | 1.17 | 0.05 | NA | 0.68 | 1.89 | 0.42 | 1.15 |
| CTP_M+6 | ME279123 | NA | NA | 1.00 | 1.26 | 0.26 | 1.15 | NA | NA | 0.39 | 1.09 | NA | 1.48 |
| CTP_M+7 | ME279124 | NA | NA | 0.86 | 1.20 | 0.17 | 1.28 | NA | NA | 0.35 | 1.08 | NA | 1.43 |
| UDP_M+8 | ME279050 | NA | NA | 0.39 | 1.01 | NA | 1.03 | NA | NA | 0.35 | 1.02 | NA | 1.25 |
| CDP_M+6 | ME279023 | NA | NA | 0.72 | 1.22 | 0.31 | 0.69 | NA | NA | 0.54 | 1.33 | NA | 1.48 |
| UMP_M+6 | ME278841 | NA | NA | 0.90 | 1.05 | NA | 0.65 | NA | NA | 0.44 | 1.19 | 0.30 | 1.54 |
| UMP_M+7 | ME278842 | NA | NA | 0.84 | 1.09 | NA | 0.65 | NA | NA | 0.37 | 1.13 | NA | 1.61 |
| CDP_M+7 | ME279024 | NA | NA | 0.59 | 1.03 | NA | 0.70 | NA | NA | 0.45 | 1.02 | NA | 1.41 |
| CMP-N-acetylneuraminate_M+16 | ME278443 | NA | NA | 0.61 | 1.14 | NA | 0.74 | NA | NA | 0.31 | 1.12 | NA | 1.56 |
| N-Acetyl-β-alanine_M+5 | ME278657 | NA | NA | 0.69 | 1.14 | NA | 0.82 | 0.41 | NA | 0.60 | 1.86 | 0.25 | 1.37 |
| UDP-glucuronic acid_M+13 | ME278970 | NA | NA | 0.80 | 1.22 | 0.16 | 1.24 | NA | NA | 0.30 | 1.63 | 0.13 | 1.87 |
| UDP-glucuronic acid_M+12 | ME278969 | NA | NA | 0.85 | 1.25 | 0.24 | 1.03 | NA | NA | 0.49 | 1.73 | 0.20 | 1.83 |
| UDP_M+7 | ME279049 | NA | NA | 0.76 | 1.50 | 0.23 | 1.06 | NA | NA | 0.51 | 1.69 | 0.25 | 1.81 |
| UTP_M+6 | ME279143 | 0.04 | NA | 1.18 | 1.33 | 0.47 | 1.02 | 0.03 | NA | 0.83 | 1.69 | 0.41 | 1.66 |
| UDP-glucose or UDP-galactose_M+13 | ME278619 | NA | NA | 0.96 | 1.47 | 0.26 | 1.46 | NA | NA | 0.54 | 1.36 | 0.21 | 1.55 |
| UDP-glucose or UDP-galactose_M+12 | ME278618 | NA | NA | 0.97 | 1.49 | 0.32 | 1.13 | NA | NA | 0.65 | 1.41 | 0.36 | 1.51 |
| UTP_M+7 | ME279144 | NA | NA | 1.06 | 1.24 | 0.29 | 1.25 | NA | NA | 0.61 | 1.53 | 0.27 | 1.57 |
| ADP-glucose or GDP-fucose_M+11 | ME278538 | NA | NA | 0.82 | 1.28 | 0.47 | 0.84 | NA | NA | 1.01 | 1.26 | 0.58 | 1.52 |
| CTP_M+5 | ME279122 | NA | NA | 1.07 | 1.35 | 0.44 | 0.70 | NA | NA | 0.96 | 1.41 | 0.39 | 1.54 |
| UDP-glucuronic acid_M+11 | ME278968 | NA | NA | 0.88 | 1.16 | 0.53 | 0.59 | NA | NA | 0.81 | 1.85 | 0.34 | 1.71 |
| CDP_M+5 | ME279022 | NA | NA | 0.78 | 1.58 | 0.37 | 0.50 | NA | NA | 0.80 | 1.57 | 0.48 | 1.76 |
| UDP_M+6 | ME279048 | NA | NA | 0.78 | 1.47 | 0.31 | 0.78 | NA | NA | 0.60 | 1.75 | 0.44 | 1.70 |
| 3-Hydroxy-3-methylglutaric acid_M+4 | ME279192 | NA | NA | 0.69 | 0.54 | NA | 0.99 | NA | NA | 0.92 | 1.36 | NA | 0.83 |
| Fumaric acid_M+3 | ME279245 | NA | NA | 0.82 | 1.05 | NA | 1.10 | NA | NA | 0.62 | 1.27 | NA | 0.87 |
| Malic acid_M+4 | ME279235 | NA | NA | 0.81 | 1.05 | 0.23 | 1.57 | NA | NA | 0.43 | 1.31 | NA | 0.87 |
| p-Toluic acid-M+1 | ME278677 | NA | NA | 0.68 | 0.99 | NA | 1.84 | NA | NA | 0.40 | 0.92 | 0.27 | 0.75 |
| trans-Cinnamic acid?_M+4 | ME278639 | NA | NA | 0.58 | 1.06 | NA | 2.08 | NA | 0.07 | 0.42 | 1.41 | 0.16 | 0.86 |
| UDP-glucose or UDP-galactose_M+14 | ME278620 | NA | NA | 0.49 | 0.70 | NA | 1.88 | NA | NA | 0.33 | 0.84 | NA | 1.43 |
| UTP_M+8 | ME279145 | NA | NA | 0.70 | 1.00 | 0.13 | 1.72 | NA | NA | 0.34 | 1.33 | 0.14 | 1.64 |
| CTP_M+4 | ME279121 | NA | NA | 1.15 | 1.48 | NA | 0.35 | NA | NA | 0.91 | 0.88 | 0.36 | 0.77 |
| Isocitric acid_M+2 | ME279257 | NA | NA | 1.29 | 1.66 | 0.46 | 0.62 | NA | NA | 0.54 | 0.98 | NA | 0.72 |
| UMP_M+5 | ME278840 | 0.07 | NA | 1.31 | 1.44 | 0.49 | 0.37 | 0.05 | NA | 0.82 | 1.71 | 0.55 | 2.14 |
| GDP_M+5 | ME278914 | 0.04 | NA | 1.22 | 1.68 | 0.78 | 0.83 | 0.07 | NA | 1.06 | 1.28 | 0.89 | 1.16 |
| GTP_M+5 | ME279032 | 0.04 | NA | 1.41 | 1.62 | 0.95 | 0.95 | 0.05 | NA | 1.21 | 1.50 | 0.76 | 1.26 |
| N-Acetylmethionine_M+2 | ME278467 | 0.23 | NA | 1.10 | 1.78 | 0.46 | 0.49 | 0.24 | 0.37 | 1.08 | 1.95 | 0.74 | 1.69 |
| UTP_M+5 | ME279142 | 0.06 | NA | 1.24 | 1.38 | 0.80 | 0.65 | 0.11 | NA | 1.29 | 1.69 | 0.82 | 1.67 |
| ATP_M+5 | ME279078 | 0.02 | NA | 1.14 | 1.53 | 0.54 | 0.95 | 0.05 | NA | 1.38 | 1.65 | 0.73 | 1.65 |
| UDP-glucose or UDP-galactose_M+11 | ME278617 | 0.01 | NA | 1.17 | 1.68 | 0.79 | 0.83 | 0.01 | NA | 1.19 | 1.56 | 0.82 | 1.64 |
| ADP_M+5 | ME278945 | 0.02 | NA | 0.97 | 1.77 | 0.49 | 0.92 | 0.05 | NA | 1.10 | 1.80 | 0.79 | 1.72 |
| UDP_M+5 | ME279047 | 0.06 | NA | 0.92 | 1.61 | 0.64 | 0.54 | 0.12 | NA | 1.06 | 1.92 | 0.93 | 1.87 |
| CMP-N-acetylneuraminate_M+4 | ME278431 | NA | NA | 1.09 | 1.05 | NA | 0.57 | NA | NA | 0.74 | 1.72 | 0.75 | 0.95 |
| UDP-glucuronic acid_M+10 | ME278967 | NA | NA | 0.86 | 1.32 | 0.58 | 0.47 | NA | NA | 0.94 | 2.15 | 0.30 | 1.27 |
| Fumaric acid_M+2 | ME279244 | NA | NA | 1.12 | 1.46 | 0.49 | 0.79 | NA | NA | 0.70 | 1.84 | 0.18 | 0.96 |
| N-Acetylglucosamine 1-phosphate_M+8 | ME278809 | NA | NA | 0.85 | 1.26 | 0.42 | 0.53 | NA | NA | 0.63 | 1.78 | NA | 0.97 |
| CMP-N-acetylneuraminate_M+5 | ME278432 | NA | NA | 0.94 | 1.00 | 0.45 | 0.79 | NA | NA | 1.39 | 1.59 | 0.56 | 0.74 |
| UDP-glucose or UDP-galactose_M+10 | ME278616 | NA | NA | 1.03 | 1.52 | 0.66 | 0.52 | NA | NA | 1.03 | 1.47 | 0.67 | 1.02 |
| ADP_M+4 | ME278944 | NA | NA | 0.80 | 1.66 | 0.42 | 0.50 | NA | NA | 1.04 | 1.88 | 0.65 | 0.90 |
| UDP_M+4 | ME279046 | NA | NA | 0.96 | 1.63 | 0.40 | 0.30 | NA | NA | 0.91 | 1.82 | 0.68 | 0.98 |
| GTP_M+4 | ME279031 | NA | NA | 1.19 | 1.63 | 0.65 | 0.44 | NA | NA | 1.08 | 1.79 | 0.62 | 0.53 |
| ATP_M+4 | ME279077 | 0.02 | NA | 1.12 | 1.58 | 0.53 | 0.58 | 0.07 | NA | 1.44 | 1.90 | 0.70 | 0.96 |
| UTP_M+4 | ME279141 | NA | NA | 1.30 | 1.52 | 0.83 | 0.41 | 0.11 | NA | 1.26 | 1.81 | 0.77 | 0.95 |
| AMP or dGMP_M+4 | ME278703 | NA | NA | 0.70 | 1.50 | 0.49 | 0.56 | NA | NA | 1.04 | 1.53 | 1.44 | 0.91 |
| GMP_M+5 | ME278670 | NA | NA | 0.84 | 1.98 | 0.55 | 0.45 | NA | NA | 0.75 | 1.28 | 0.89 | 1.03 |
| AMP or dGMP_M+5 | ME278704 | NA | NA | 0.67 | 1.91 | 0.38 | 0.72 | 0.07 | NA | 0.77 | 1.59 | 0.80 | 1.47 |
| CMP_M+5 | ME278815 | NA | NA | 0.62 | 1.62 | 0.55 | 0.40 | NA | NA | 0.75 | 1.48 | 0.60 | 1.45 |
| Citric acid_M+2 | ME279249 | 0.23 | 0.03 | 1.94 | 2.70 | 0.76 | 1.04 | 0.06 | NA | 0.72 | 1.68 | 0.26 | 1.09 |
| Quinic acid_M+1 | ME278503 | 0.40 | NA | 1.61 | 2.13 | 0.48 | 0.49 | 0.30 | 0.22 | 1.20 | 1.60 | 0.83 | 1.06 |
| Sedoheptulose 7-phosphate_M+7 | ME278827 | 0.32 | NA | 1.43 | 2.19 | 0.74 | 0.87 | 0.40 | NA | 0.79 | 1.03 | 0.84 | 0.98 |
| Citric acid_M+1 | ME279248 | 0.35 | 1.23 | 1.24 | 1.51 | 0.58 | 0.83 | 0.09 | 0.31 | 0.92 | 2.17 | 0.35 | 1.46 |
| 3@4-Methyl-2-oxovaleric acid_M+0 | ME278767 | 0.47 | 0.68 | 1.15 | 2.02 | 0.68 | 0.67 | 0.51 | 0.70 | 1.23 | 2.02 | 0.81 | 0.86 |
| 3@4-Methyl-2-oxovaleric acid_M+1 | ME278768 | NA | 0.73 | 1.07 | 1.81 | 0.59 | 0.85 | 0.52 | 0.52 | 1.17 | 1.58 | 0.85 | 0.79 |
| N-Acetylmuramic acid_M+7 | ME278317 | NA | NA | 1.09 | 0.76 | 1.26 | NA | 1.03 | NA | 0.80 | NA | NA | 0.96 |
| 3@4-Methyl-2-oxovaleric acid_M+5 | ME278772 | 0.55 | NA | NA | 0.90 | 1.78 | 1.19 | 0.66 | 0.75 | 2.09 | NA | 1.11 | 0.53 |
| 5-Oxohexanoic acid_M+5 | ME278663 | 0.58 | NA | 1.19 | 0.63 | 1.86 | 1.08 | 0.88 | 0.78 | 1.45 | 0.39 | 1.32 | 0.55 |
| UDP-glucose or UDP-galactose_M+5 | ME278611 | 0.24 | NA | 1.03 | 1.39 | 1.03 | NA | 0.19 | NA | 1.35 | 1.33 | 1.25 | NA |
| UDP-glucose or UDP-galactose_M+8 | ME278614 | 0.25 | NA | 1.10 | 1.68 | 0.98 | NA | 0.17 | NA | 1.21 | 1.32 | 1.10 | NA |
| ATP_M+3 | ME279076 | 0.17 | 0.10 | 1.53 | 2.21 | 0.89 | NA | 0.28 | 0.14 | 1.56 | 1.81 | 0.86 | NA |
| UTP_M+3 | ME279140 | 0.22 | 0.08 | 1.58 | 1.89 | 1.11 | NA | 0.38 | 0.10 | 1.31 | 1.49 | 0.76 | NA |
| NAD+_M+7 | ME278246 | NA | NA | 0.62 | 1.26 | 0.16 | NA | NA | NA | 1.30 | 1.83 | 0.62 | NA |
| NAD+_M+8 | ME278247 | NA | NA | 0.56 | 1.32 | 0.09 | NA | NA | NA | 1.19 | 2.04 | 0.34 | NA |
| ADP_M+3 | ME278943 | 0.20 | 0.09 | 1.08 | 2.07 | 0.63 | NA | 0.23 | 0.13 | 1.02 | 1.60 | 0.74 | NA |
| UDP_M+3 | ME279045 | 0.29 | NA | 0.93 | 1.83 | 0.61 | NA | 0.32 | NA | 0.81 | 1.32 | 0.66 | NA |
| AMP or dGMP_M+3 | ME278702 | NA | NA | 0.57 | 1.82 | 0.45 | NA | NA | NA | 0.53 | 1.16 | 0.67 | NA |
| UMP_M+3 | ME278838 | NA | NA | 1.03 | 1.35 | 0.47 | NA | NA | NA | 0.65 | 0.91 | 0.67 | NA |
| GTP_M+3 | ME279030 | NA | NA | 1.08 | 1.65 | 0.62 | NA | NA | NA | 0.83 | 1.12 | 0.47 | NA |
| UDP-glucose or UDP-galactose_M+9 | ME278615 | NA | NA | 1.02 | 1.60 | 0.73 | NA | NA | NA | 0.86 | 1.17 | 0.56 | NA |
| GDP_M+3 | ME278912 | NA | NA | 0.83 | 1.37 | 0.65 | 0.26 | NA | NA | 0.82 | 1.34 | NA | NA |
| GDP_M+4 | ME278913 | NA | NA | 0.90 | 1.33 | 0.63 | NA | NA | NA | 0.85 | 1.40 | 0.64 | 0.60 |
| UDP-glucuronic acid_M+5 | ME278962 | NA | NA | 0.73 | 0.93 | 0.88 | NA | NA | NA | 1.09 | 1.65 | 0.68 | NA |
| UDP-glucuronic acid_M+8 | ME278965 | NA | NA | 0.87 | 1.24 | 0.67 | NA | NA | NA | 0.93 | 1.61 | 0.58 | NA |
| UDP-glucuronic acid_M+9 | ME278966 | NA | NA | 1.02 | 1.43 | 0.63 | NA | NA | NA | 0.85 | 1.65 | 0.33 | NA |
| PRPP_M+2 | ME279210 | NA | NA | 0.52 | 1.01 | 1.06 | NA | 1.03 | NA | 1.70 | 1.44 | 0.61 | NA |
| CMP-N-acetylneuraminate_M+9 | ME278436 | NA | NA | 0.63 | 0.65 | 1.23 | NA | NA | NA | 1.41 | 1.10 | 0.88 | NA |
| UDP-glucuronic acid_M+7 | ME278964 | NA | NA | 0.55 | 0.57 | 1.14 | NA | NA | NA | 1.29 | 1.20 | 1.28 | NA |
| NAD+_M+5 | ME278244 | NA | NA | 0.83 | 0.79 | 0.48 | NA | 0.04 | NA | 1.83 | 1.34 | 1.55 | NA |
| NAD+_M+4 | ME278243 | NA | NA | 0.75 | 0.70 | 0.33 | NA | NA | NA | 1.62 | 0.99 | 1.08 | NA |
| NAD+_M+6 | ME278245 | NA | NA | 0.65 | 0.71 | 0.37 | NA | NA | NA | 1.54 | 1.41 | 1.15 | NA |
| CMP-N-acetylneuraminate_M+20 | ME278447 | NA | NA | 1.09 | NA | 0.84 | NA | NA | NA | 1.10 | 0.79 | 0.76 | 1.54 |
| Ethanolamine phosphate_M+2 | ME278419 | NA | NA | 1.09 | NA | NA | NA | 0.63 | 0.78 | 1.30 | 1.28 | 0.72 | 0.92 |
| Threonic acid_M+3 | ME278697 | NA | NA | 0.62 | 0.76 | NA | NA | NA | 0.50 | 1.07 | 1.57 | 0.65 | 0.69 |
| 3-Phosphoglyceric acid_M+3 | ME279221 | NA | NA | 1.26 | 0.93 | NA | NA | 0.60 | NA | 0.97 | 1.15 | 0.87 | 1.13 |
| 6-Phosphogluconic acid_M+5 | ME279185 | NA | NA | 0.86 | 0.90 | NA | NA | 0.59 | NA | 1.30 | 1.65 | 0.77 | 1.05 |
| N-Acetylmuramic acid_M+6 | ME278316 | 0.62 | NA | 0.66 | NA | NA | NA | 1.14 | NA | 1.13 | 1.19 | 1.33 | 0.52 |
| Ribulose 5-phosphate_M+3 | ME278954 | NA | NA | 0.83 | 0.86 | NA | NA | 1.11 | NA | 1.10 | 1.05 | 0.83 | NA |
| CDP_M+2 | ME279019 | 0.71 | NA | NA | 1.36 | NA | NA | 0.66 | 0.69 | 0.93 | 0.95 | 0.88 | NA |
| N-Acetylneuraminic acid_M+1 | ME278299 | 0.23 | 0.33 | NA | NA | NA | NA | 1.01 | 1.16 | 0.93 | 0.95 | 1.31 | NA |
| UDP-glucuronic acid_M+3 | ME278960 | 0.65 | NA | NA | 0.69 | 0.89 | NA | 1.26 | 0.87 | 1.02 | 0.96 | 1.33 | NA |
| NAD+_M+3 | ME278242 | 0.21 | NA | 0.84 | 0.83 | 0.80 | NA | 0.60 | 0.45 | 1.58 | 0.96 | 2.08 | NA |
| UDP-glucose or UDP-galactose_M+6 | ME278612 | 1.01 | NA | 0.67 | 0.53 | 1.44 | 0.03 | 0.90 | NA | 1.35 | 0.61 | 2.33 | 0.01 |
| UDP-glucose or UDP-galactose_M+7 | ME278613 | 0.77 | NA | 0.66 | 0.74 | 1.18 | NA | 0.67 | NA | 1.26 | 0.90 | 1.81 | NA |
| ADP-glucose or GDP-fucose_M+6 | ME278533 | NA | NA | 0.60 | 0.57 | 0.95 | NA | NA | NA | 0.87 | 0.72 | 2.02 | NA |
| UDP-glucuronic acid_M+6 | ME278963 | 0.13 | NA | 0.68 | 0.44 | 1.70 | 0.04 | 0.04 | NA | 1.66 | 1.17 | 1.90 | NA |
| CMP-N-acetylneuraminate_M+3 | ME278430 | NA | NA | 1.00 | 0.53 | 0.49 | 0.40 | 0.24 | 0.29 | 2.46 | 0.65 | 1.77 | 0.27 |
| GDP-mannose or GDP-galactose_M+5 | ME278515 | NA | 0.19 | 0.14 | NA | 0.24 | NA | 0.52 | 0.59 | 1.91 | 1.28 | 1.60 | NA |
| UDP-N-acetylglucosamine_M+3 | ME278547 | 0.12 | 0.18 | 0.22 | 0.18 | 0.31 | NA | 0.94 | 1.04 | 2.18 | 1.53 | 2.05 | NA |
| PRPP_M+5 | ME279213 | 0.66 | NA | 0.97 | 0.96 | 0.99 | 1.33 | 1.01 | NA | 1.09 | 1.35 | 0.88 | 0.68 |
| 6-Phosphogluconic acid_M+6 | ME279186 | 0.55 | NA | 0.95 | 1.21 | 0.55 | 0.42 | 0.97 | NA | 1.17 | 1.59 | 1.13 | 1.23 |
| Ribulose 5-phosphate_M+5 | ME278956 | 0.69 | NA | 0.93 | 1.30 | 0.54 | 0.75 | 1.25 | NA | 1.09 | 1.21 | 1.33 | 0.72 |
| Fructose 1,6-diphosphate_M+6 | ME279179 | 1.11 | NA | 1.47 | 1.72 | 0.91 | 0.41 | 1.00 | 0.01 | 1.02 | 1.07 | 1.34 | 0.31 |
| Fructose 1,6-diphosphate_M+5 | ME279178 | 0.95 | NA | 1.32 | 1.57 | 0.84 | 0.56 | 0.96 | NA | 0.83 | 0.93 | 1.23 | 0.82 |
| Fructose 6-phosphate_M+6 | ME278869 | 1.17 | NA | 0.83 | 2.00 | 0.64 | 0.58 | 0.92 | NA | 0.65 | 0.90 | 1.40 | 0.86 |
| Glucose 6-phosphate_M+5 | ME278833 | 1.24 | NA | 1.02 | 1.91 | 0.75 | 0.60 | 0.86 | NA | 0.71 | 0.82 | 1.27 | 0.82 |
| Glucose 6-phosphate_M+6 | ME278834 | 1.03 | NA | 1.04 | 1.98 | 0.73 | 0.63 | 0.86 | NA | 0.73 | 0.85 | 1.21 | 0.87 |
| Dihydroxyacetone phosphate_M+3 | ME279153 | 1.61 | NA | 0.99 | 1.43 | 1.18 | 1.08 | 1.09 | NA | 0.50 | 0.54 | 1.24 | 0.54 |
| IMP_M+5 | ME278779 | 1.14 | NA | 1.25 | 1.37 | 1.32 | 0.73 | 1.27 | NA | 0.69 | 0.60 | 0.68 | 0.59 |
| 2,3-Diphosphoglyceric acid_M+3 | ME279217 | 0.81 | NA | 2.04 | 1.54 | 1.74 | 0.67 | 1.03 | NA | 0.59 | 0.52 | 0.71 | 0.50 |
| Fructose 1,6-diphosphate_M+3 | ME279176 | 1.39 | NA | 1.28 | 1.31 | 1.12 | NA | 1.22 | NA | 0.64 | 0.51 | 0.67 | NA |
| PRPP_M+4 | ME279212 | 1.21 | NA | 1.28 | 0.78 | 0.85 | NA | 1.42 | NA | 1.02 | 1.00 | NA | 0.71 |
| Hexanoic acid_M+1 | ME278646 | NA | 1.10 | 0.82 | 0.91 | 0.82 | NA | 0.89 | 1.17 | 1.01 | 0.85 | NA | 1.12 |
| Decanoic acid_M+1 | ME278407 | NA | 1.12 | 0.99 | 0.88 | NA | NA | 0.82 | 1.28 | 0.90 | 0.84 | 0.93 | 1.20 |
| Pantothenic acid_M+1 | ME278334 | NA | 0.80 | 1.20 | 1.01 | 0.68 | NA | 0.97 | 1.22 | 0.71 | 0.99 | 0.78 | 1.04 |
| Threonic acid_M+2 | ME278696 | 0.52 | 0.46 | 0.45 | 0.79 | 0.44 | 0.84 | 0.98 | 1.88 | 1.34 | 1.05 | 0.74 | 0.94 |
| N-Acetylmethionine_M+0 | ME278465 | 0.39 | 0.70 | 0.75 | 0.86 | 0.61 | 0.24 | 1.51 | 1.60 | 1.15 | 1.34 | 1.39 | 1.03 |
| N-Acetyl-β-alanine_M+0 | ME278652 | 0.39 | 1.01 | 0.66 | 0.69 | 0.47 | NA | 1.57 | 1.86 | 0.96 | 1.42 | 1.07 | 0.54 |
| N-Carbamoylaspartic acid_M+0 | ME279195 | 1.15 | 1.34 | 1.08 | 1.03 | 1.19 | 0.64 | 1.19 | 0.89 | 1.00 | 1.21 | 0.79 | 0.57 |
| Uric acid_M+1 | ME278630 | 1.22 | 1.31 | 1.07 | 0.62 | 0.95 | 0.43 | 1.23 | 1.27 | 1.03 | 1.19 | 1.01 | 0.69 |
| 2-Oxoglutaric acid_M+0 | ME279236 | 0.63 | 1.02 | 0.98 | 0.88 | 0.88 | 0.77 | 0.66 | 0.65 | 1.03 | 1.34 | 0.89 | 1.59 |
| Hexanoic acid_M+0 | ME278645 | 0.80 | 1.08 | 0.76 | 0.95 | 0.97 | 0.96 | 0.77 | 1.38 | 0.92 | 1.12 | 0.64 | 1.51 |
| Propionic acid_M+0 | ME278924 | 1.00 | 0.52 | 0.74 | 1.21 | 1.01 | 1.03 | 0.58 | 0.81 | 1.07 | 1.37 | 1.31 | 1.05 |
| Benzoic acid_M+0 | ME278850 | 0.80 | 1.04 | 0.92 | 0.86 | 0.81 | 0.77 | 1.42 | 1.05 | 0.83 | 1.07 | 1.45 | 1.07 |
| Pantothenic acid_M+0 | ME278333 | 0.63 | 1.00 | 1.05 | 0.97 | 0.91 | 0.46 | 1.30 | 1.14 | 0.87 | 1.05 | 1.38 | 1.14 |
| Ethanolamine phosphate_M+1 | ME278418 | 0.90 | 0.76 | 0.94 | 1.12 | 1.10 | 0.76 | 1.06 | 1.03 | 1.22 | 1.10 | 1.28 | 0.91 |
| NADH_M+17 | ME278490 | 1.09 | 0.85 | 1.22 | 0.98 | 1.01 | 1.10 | 1.05 | 0.90 | 0.80 | 0.98 | 1.01 | 0.78 |
| IS_CSA | ME278572 | 0.93 | 0.97 | 0.92 | 0.89 | 1.09 | 1.10 | 1.01 | 1.08 | 1.07 | 0.96 | 0.99 | 0.99 |
| NDS_divalent | ME279187 | 0.93 | 0.96 | 0.99 | 0.97 | 0.96 | 1.01 | 1.00 | 1.06 | 1.05 | 1.03 | 0.98 | 1.04 |
| Trimesic acid | ME279254 | 0.97 | 1.01 | 1.00 | 0.95 | 1.03 | 1.00 | 0.98 | 1.01 | 1.03 | 1.05 | 0.89 | 1.07 |
| Biotin_M+0 | ME278367 | 0.56 | 0.99 | 1.28 | 1.28 | 0.80 | 0.87 | 0.78 | 0.90 | 1.16 | 1.15 | 1.22 | 0.85 |
| Ethanolamine phosphate_M+0 | ME278417 | 0.54 | 0.86 | 0.91 | 1.03 | 0.82 | 0.95 | 1.05 | 0.98 | 1.04 | 1.41 | 1.07 | 1.14 |
| Dihydroorotic acid_M+0 | ME278745 | 1.00 | 0.72 | 1.22 | 0.62 | 0.52 | NA | 1.43 | 1.21 | 1.02 | 0.87 | 0.84 | 1.28 |
| Glycerol 3-phosphate_M+0 | ME279084 | 0.89 | 1.36 | 0.68 | 0.77 | 0.66 | 0.37 | 1.03 | 1.89 | 1.18 | 1.00 | 1.28 | 0.79 |
| Decanoic acid_M+0 | ME278406 | 0.61 | 1.16 | 1.13 | 0.88 | 0.57 | 0.64 | 1.10 | 1.58 | 1.03 | 1.05 | 1.01 | 1.28 |
| Pelargonic acid_M+0 | ME278448 | 0.68 | 1.38 | 1.23 | 0.91 | 0.54 | 0.61 | 1.03 | 1.48 | 0.82 | 0.85 | 0.99 | 1.29 |
| Pelargonic acid_M+1 | ME278449 | 0.61 | 1.28 | 1.17 | 0.91 | 0.46 | 0.53 | 1.05 | 1.27 | 0.84 | 0.87 | 1.10 | 1.42 |
| Lauric acid_M+0 | ME278354 | 0.56 | 0.82 | 0.80 | 0.60 | 0.56 | 0.51 | 1.51 | 1.10 | 1.20 | 2.14 | 1.16 | 1.05 |
| Lauric acid_M+1 | ME278355 | 0.55 | 0.75 | 0.75 | 0.64 | 0.53 | 0.51 | 1.51 | 1.11 | 1.14 | 2.17 | 1.20 | 1.14 |
| Phytic acid_divalent_M+0 | ME279201 | 0.46 | 0.96 | 1.08 | 1.12 | 0.91 | 0.24 | 0.49 | 0.67 | 1.67 | 1.75 | 1.05 | 0.97 |
| Fumaric acid_M+0 | ME279242 | 0.79 | 1.03 | 0.93 | 1.00 | 1.10 | 0.45 | 0.97 | 1.00 | 1.39 | 1.36 | 0.98 | 0.98 |
| Malic acid_M+0 | ME279231 | 0.68 | 0.94 | 0.81 | 0.89 | 1.00 | 0.30 | 1.00 | 1.09 | 1.45 | 1.45 | 1.33 | 0.98 |
| 5-Oxoproline_M+0 | ME278761 | 0.56 | 0.75 | 1.03 | 1.12 | 0.72 | 0.51 | 0.87 | 1.11 | 1.12 | 1.92 | 0.99 | 1.14 |
| 5-Oxoproline_M+1 | ME278762 | 0.58 | 0.75 | 0.94 | 0.96 | 0.78 | 0.46 | 0.94 | 1.17 | 1.03 | 1.92 | 1.05 | 1.27 |
| trans-Cinnamic acid?_M+0 | ME278635 | 0.53 | 0.75 | 0.89 | 1.11 | 0.85 | 0.39 | 0.96 | 1.05 | 1.42 | 1.70 | 1.17 | 1.02 |
| Malic acid_M+1 | ME279232 | 0.55 | 0.73 | 0.92 | 1.02 | 0.82 | 0.50 | 0.80 | 0.84 | 1.42 | 1.92 | 1.14 | 1.18 |
| Succinic acid_M+0 | ME279226 | 0.56 | 0.78 | 0.92 | 0.90 | 0.87 | 0.58 | 0.64 | 1.00 | 1.56 | 1.73 | 1.06 | 1.27 |
| Fumaric acid_M+1 | ME279243 | NA | 0.89 | 0.96 | 0.91 | 0.92 | NA | 0.40 | 0.71 | 1.24 | 1.73 | 0.60 | 0.97 |
| Succinic acid_M+1 | ME279227 | 0.58 | 0.62 | 0.85 | 0.96 | 0.65 | 0.80 | NA | 0.81 | 1.26 | 1.69 | 0.80 | 1.31 |
| O-Phosphoserine_M+0 | ME279113 | 0.66 | 1.26 | 1.51 | 0.84 | 1.89 | 0.49 | 0.80 | 0.97 | 1.19 | 0.88 | 0.93 | 0.42 |
| 5-Oxohexanoic acid_M+4 | ME278662 | 0.84 | 1.26 | 0.84 | 1.12 | 0.88 | NA | 1.14 | 1.15 | 1.32 | NA | 0.77 | 0.44 |
| AMP or dGMP_M+2 | ME278701 | 1.11 | 0.51 | 0.65 | 1.84 | 0.97 | NA | 0.63 | 0.83 | 0.71 | 1.08 | 1.20 | NA |
| CTP_M+2 | ME279119 | 0.52 | 0.69 | 1.39 | 1.65 | 0.30 | NA | 0.70 | 0.91 | 1.20 | 1.21 | 0.97 | NA |
| UMP_M+2 | ME278837 | 0.53 | 0.74 | 1.28 | 1.53 | 0.56 | NA | 0.60 | 0.91 | 0.75 | 1.27 | 0.76 | NA |
| UDP-glucose or UDP-galactose_M+3 | ME278609 | 0.75 | 0.93 | 0.82 | 1.00 | 1.10 | NA | 1.02 | 0.97 | 1.11 | 0.84 | 1.16 | NA |
| GDP_M+2 | ME278911 | 0.56 | 0.71 | 1.04 | 1.64 | 0.83 | NA | 0.79 | 0.64 | 1.12 | 0.92 | 0.77 | NA |
| ADP_M+2 | ME278942 | 0.53 | 0.70 | 1.02 | 1.63 | 0.81 | NA | 0.83 | 0.87 | 1.01 | 1.30 | 1.14 | NA |
| UDP_M+2 | ME279044 | 0.50 | 0.68 | 0.85 | 1.55 | 0.86 | NA | 0.95 | 0.88 | 0.99 | 1.37 | 1.14 | NA |
| GTP_M+2 | ME279029 | 0.64 | 0.78 | 1.17 | 1.36 | 1.13 | NA | 0.91 | 1.08 | 1.01 | 0.99 | 0.81 | NA |
| ATP_M+2 | ME279075 | 0.60 | 0.76 | 1.20 | 1.48 | 0.99 | 0.03 | 0.99 | 0.96 | 1.27 | 1.24 | 1.10 | 0.15 |
| UTP_M+2 | ME279139 | 0.59 | 0.71 | 1.09 | 1.26 | 0.99 | NA | 1.01 | 0.97 | 1.13 | 1.13 | 1.01 | NA |
| Gluconic acid_M+0 | ME278458 | 0.50 | 1.24 | 1.34 | 1.22 | 0.82 | 0.33 | 1.03 | 1.47 | 1.05 | 1.26 | 1.01 | 0.38 |
| Gluconic acid_M+1 | ME278459 | NA | 1.08 | 1.12 | 1.05 | 0.83 | NA | 0.77 | 1.16 | 0.95 | 0.99 | 0.96 | NA |
| Citric acid_M+0 | ME279247 | 0.68 | 2.38 | 1.14 | 1.32 | 0.82 | 0.63 | 0.22 | 0.65 | 0.96 | 1.48 | 0.44 | 1.18 |
| Phosphocreatine_M+0 | ME279108 | 0.42 | 1.37 | 1.00 | 0.72 | 0.40 | 1.44 | 1.01 | 1.41 | 0.65 | 1.92 | 0.52 | 0.85 |
| Glyceric acid_M+0 | ME278877 | 1.08 | 1.00 | 0.92 | NA | 1.24 | 1.28 | 0.78 | 1.30 | NA | 0.69 | NA | 0.95 |
| Butyric acid or Isobutyric acid_M+0 | ME278858 | 1.78 | 0.86 | 0.61 | 1.05 | 1.66 | 1.43 | 0.58 | 0.77 | 0.81 | 0.90 | 0.53 | 1.01 |
| 6-Hydroxynicotinic acid_M+0 | ME278710 | 0.91 | 0.98 | 0.89 | 1.16 | 0.74 | 1.06 | 0.53 | 1.08 | 0.73 | 0.88 | NA | 1.39 |
| Valeric acid_M+0 | ME278717 | 1.06 | 0.75 | 0.80 | 1.43 | 0.96 | 1.36 | 0.88 | 0.74 | 0.61 | 1.21 | NA | 1.01 |
| Biotin_M+1 | ME278368 | 0.93 | 1.78 | 1.22 | 1.44 | 0.92 | 1.51 | 0.35 | 0.64 | 0.60 | 0.55 | 0.66 | 0.81 |
| N-Acetylmethionine_M+1 | ME278466 | 0.92 | 1.68 | 1.30 | 0.88 | 1.20 | 1.32 | 0.66 | 0.89 | 0.77 | 1.08 | 0.77 | 0.86 |
| Quinic acid_M+0 | ME278502 | 0.93 | 1.44 | 1.15 | 0.83 | 0.75 | 1.61 | 0.47 | 0.95 | 0.71 | 1.00 | 0.75 | 1.37 |
| Biotin_M+2 | ME278369 | 0.94 | 1.06 | 1.68 | NA | NA | NA | NA | 0.89 | 0.61 | 1.19 | NA | NA |
| 3@4-Methyl-2-oxovaleric acid_M+4 | ME278771 | 0.59 | 1.89 | 0.93 | 1.31 | 0.79 | 0.68 | NA | 1.28 | 1.17 | NA | 0.74 | NA |
| IMP_M+0 | ME278774 | 0.67 | 1.40 | 0.63 | 1.05 | NA | 0.63 | NA | 1.10 | 0.78 | 0.62 | 1.34 | 0.77 |
| Isocitric acid_M+0 | ME279255 | NA | 1.75 | 0.79 | 0.91 | NA | NA | NA | 0.56 | 0.68 | 0.88 | NA | 0.74 |
| Phosphocreatine_M+1 | ME279109 | NA | 1.17 | NA | 0.69 | NA | 1.21 | NA | 1.01 | 0.76 | 0.90 | NA | 0.79 |
Factors:
| F1 | Cell lines:RWPE1 | Time points:0.25h |
| F2 | Cell lines:RWPE1 | Time points:0h |
| F3 | Cell lines:RWPE1 | Time points:12h |
| F4 | Cell lines:RWPE1 | Time points:24h |
| F5 | Cell lines:RWPE1 | Time points:4h |
| F6 | Cell lines:RWPE1 | Time points:6days |
| F7 | Cell lines:VCaP | Time points:0.25h |
| F8 | Cell lines:VCaP | Time points:0h |
| F9 | Cell lines:VCaP | Time points:12h |
| F10 | Cell lines:VCaP | Time points:24h |
| F11 | Cell lines:VCaP | Time points:4h |
| F12 | Cell lines:VCaP | Time points:6days |
