Data for ST003143
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 |
|---|---|---|---|---|---|---|
| 10-hydroxy-2-decenoic acid | 3.39 | 3.09 | 2.83 | 3.12 | 3.10 | |
| 10-Hydroxydecanoate | 3.60 | 3.54 | 3.54 | 3.61 | 3.49 | |
| 10-undecanoate | 3.34 | 3.32 | 3.17 | 3.26 | 3.31 | |
| 1-Aminocyclopropanecarboxylate | 3.76 | 3.80 | 3.72 | 3.73 | 3.84 | |
| 1-Methylhistidine | 4.41 | 4.19 | 3.96 | 4.26 | 4.34 | |
| 2,3-Dihydroxybenzoate | 3.36 | 3.17 | 3.35 | 3.14 | 3.06 | |
| 2^,4^-Dihydroxyacetophenone | 3.41 | 3.18 | 3.18 | 3.33 | 3.17 | |
| 2,4-Dihydroxypteridine | 3.41 | 3.19 | 3.02 | 3.25 | 3.52 | |
| 2,5-Dihydroxybenzoate | 3.43 | 3.04 | 2.96 | 3.00 | 2.96 | |
| 2-Aminooctanoate | 3.26 | 2.79 | 3.09 | 3.13 | 2.81 | |
| 2-Aminophenol | 2.82 | 2.74 | 2.84 | 2.73 | 2.68 | |
| 2-Ethyl-2-hydroxybutanoate | 4.25 | 3.80 | 3.95 | 3.84 | 3.78 | |
| 2-Hydroxy-4-(methylthio)butanoate | 3.69 | 3.54 | 3.47 | 3.39 | 3.40 | |
| 2-Hydroxybutyrate | 5.70 | 5.91 | 5.88 | 5.82 | 6.06 | |
| 2-Hydroxyglutarate | 4.95 | 5.47 | 5.10 | 5.23 | 5.27 | |
| 2-Hydroxyhexadecanoate | 3.66 | 3.88 | 3.52 | 3.79 | 3.69 | |
| 2-Hydroxypyridine | 3.54 | 3.59 | 3.47 | 3.52 | 3.53 | |
| 2-Hydroxytetradecanoate | 2.97 | 3.19 | 2.97 | 3.09 | 3.13 | |
| 2-Isopropylmalate | 4.19 | 3.66 | 3.37 | 3.67 | 3.35 | |
| 2-Ketohexanoic | 3.93 | 3.73 | 3.83 | 3.92 | 3.77 | |
| 2-Octenoylcarnitine | 5.04 | 5.07 | 6.09 | 5.36 | 5.23 | |
| 2-Propenoate | 2.69 | 2.57 | 2.00 | 2.65 | 2.53 | |
| 2-Quinolinecarboxylate | 2.99 | 2.46 | 2.38 | 2.49 | 2.46 | |
| 3-(2-Hydroxyphenyl)propanoate | 4.28 | 4.21 | 3.91 | 4.28 | 3.95 | |
| 3-(3,4,5-Trimethoxyphenyl)propionate | 3.72 | 3.52 | 3.35 | 3.60 | 3.54 | |
| 3,3-Dimethylglutarate | 4.59 | 3.96 | 4.01 | 4.19 | 3.88 | |
| 3,4,5-Trimethoxycinnamate | 3.71 | 3.70 | 3.47 | 3.78 | 3.77 | |
| 3,4-Dihydroxybenzoate | 3.82 | 3.45 | 3.45 | 3.43 | 3.50 | |
| 3,4-Dihydroxyphenylacetate | 3.76 | 3.34 | 3.08 | 3.37 | 3.43 | |
| 3,4-Dihydroxyphenylglycol | 3.15 | 2.89 | 2.36 | 3.00 | 3.08 | |
| 3-(4-Hydroxyphenyl)pyruvate | 4.62 | 4.51 | 4.34 | 4.68 | 4.41 | |
| 3-Dehydroshikimate | 4.36 | 4.34 | 4.29 | 4.31 | 4.39 | |
| 3-Hydroxyanthranilate | 3.31 | 3.23 | 3.03 | 3.26 | 3.06 | |
| 3-Hydroxybenzaldehyde | 3.81 | 3.52 | 3.28 | 3.73 | 3.52 | |
| 3-Hydroxybenzenemethanol | 3.26 | 2.89 | 3.26 | 3.16 | 2.96 | |
| 3-Hydroxydodecanoylcarnitine | 4.15 | 4.38 | 4.18 | 4.41 | 4.65 | |
| 3-Hydroxyhexadecanoylcarnitine | 3.49 | 3.81 | 3.55 | 3.63 | 4.09 | |
| 3-Hydroxymethylglutarate | 4.77 | 4.76 | 4.40 | 4.52 | 4.77 | |
| 3-Hydroxyoctanoate | 4.57 | 4.38 | 4.30 | 4.64 | 4.49 | |
| 3-Hydroxypyruvate | 4.10 | 4.13 | 3.93 | 4.09 | 4.01 | |
| 3-Hydroxysebacate | 4.29 | 3.45 | 3.68 | 3.56 | 3.29 | |
| 3-Methoxy-4-hydroxymandelate | 4.52 | 3.76 | 3.39 | 3.87 | 3.87 | |
| 3-Methoxytyrosine | 3.64 | 3.86 | 3.52 | 3.54 | 3.55 | |
| 3-Methyl-2-oxovalerate | 4.04 | 4.49 | 3.97 | 4.31 | 4.57 | |
| 3-Methyladenine | 4.55 | 4.19 | 3.98 | 4.40 | 4.12 | |
| 3-Methylglutarylcarnitine | 3.54 | 3.50 | 5.02 | 3.89 | 3.68 | |
| 3-Methylhistamine | 3.42 | 3.45 | 4.05 | 3.64 | 3.71 | |
| 3-Nitrotyrosine | 2.88 | 2.80 | 2.52 | 2.76 | 2.82 | |
| 3-Sulfinoalanine | 4.31 | 4.61 | 4.27 | 4.30 | 4.39 | |
| 4-Acetamidobutanoate | 4.35 | 3.88 | 3.58 | 4.05 | 3.82 | |
| 4-Acetylbutyrate | 3.82 | 3.58 | 3.65 | 3.87 | 3.57 | |
| 4-Coumarate | 3.50 | 3.29 | 3.07 | 3.21 | 3.37 | |
| 4-Guanidinobutanoate | 3.74 | 3.81 | 4.26 | 3.52 | 4.08 | |
| 4-Hydroxybenzaldehyde | 4.59 | 4.50 | 4.33 | 4.67 | 4.39 | |
| 4-Hydroxybenzoate | 4.27 | 3.91 | 3.77 | 3.93 | 3.87 | |
| 4-Hydroxyphenyl-2-propionate | 4.27 | 4.20 | 3.91 | 4.27 | 3.95 | |
| 4-Hydroxyphenylglycine | 3.94 | 4.21 | 4.02 | 4.01 | 3.77 | |
| 4-Imidazoleacetate | 3.26 | 3.11 | 3.26 | 3.13 | 3.18 | |
| 4-Methoxybenzeneacetate | 3.17 | 3.08 | 2.90 | 3.17 | 3.11 | |
| 4-Methylcatechol | 3.04 | 2.84 | 2.48 | 2.76 | 3.04 | |
| 4-Pyridoxate | 5.16 | 4.35 | 3.75 | 4.59 | 4.22 | |
| 5-Aminolevulinate | 3.97 | 3.97 | 3.87 | 3.98 | 3.98 | |
| 5-Aminopentanoate | 6.18 | 6.20 | 6.02 | 6.16 | 6.29 | |
| 5-Deoxyadenosine | 3.23 | 3.42 | 3.16 | 3.39 | 3.37 | |
| 5-Hydroxylysine | 3.30 | 3.06 | 2.88 | 3.04 | 3.04 | |
| 5-Hydroxytryptophan | 4.30 | 4.43 | 4.46 | 4.46 | 4.37 | |
| 5-Methoxytryptophan | 3.15 | 3.40 | 2.73 | 3.01 | 3.14 | |
| 5-Methylcytosine | 3.96 | 3.57 | 3.69 | 3.83 | 3.57 | |
| 5-Valerolactone | 2.82 | 2.77 | 2.54 | 2.78 | 3.00 | |
| 6-Carboxyhexanoate | 4.59 | 3.96 | 4.03 | 4.20 | 3.89 | |
| 6-Hydroxydopamine | 3.34 | 3.24 | 3.15 | 3.38 | 3.18 | |
| 6-Hydroxynicotinate | 3.25 | 3.18 | 3.12 | 3.08 | 2.96 | |
| 6-Phosphogluconate | 4.36 | 5.06 | 5.40 | 5.22 | 5.12 | |
| 6-Phosphonogluconolactone | 3.84 | 4.46 | 4.74 | 4.60 | 4.60 | |
| 7alpha-Hydroxy-3-oxo-4-cholestenoate | 2.97 | 3.88 | 3.02 | 2.98 | 3.63 | |
| 7-Hydroxyoctanoate | 3.70 | 3.86 | 4.04 | 3.91 | 3.90 | |
| 9-Decenoylcarnitine | 4.48 | 4.67 | 4.44 | 4.62 | 4.59 | |
| Acetoacetate | 4.32 | 4.41 | 4.30 | 4.58 | 4.44 | |
| Acetoin | 3.93 | 4.20 | 4.01 | 3.86 | 4.00 | |
| Acetylcarnitine | 6.83 | 7.07 | 7.10 | 6.94 | 7.17 | |
| Adenine | 5.61 | 5.57 | 5.91 | 5.64 | 5.67 | |
| Adenosine | 6.42 | 6.24 | 6.60 | 6.49 | 6.34 | |
| Adenosine monophosphate | 6.69 | 6.79 | 7.36 | 6.81 | 6.91 | |
| Adipate | 4.95 | 4.44 | 4.44 | 4.55 | 4.26 | |
| ADP-glucose | 3.64 | 3.44 | 2.70 | 3.71 | 3.61 | |
| Agmatine sulfate | 2.59 | 2.56 | 2.57 | 2.49 | 2.52 | |
| Aicar | 4.31 | 4.27 | 4.14 | 4.13 | 4.25 | |
| Alanine | 4.91 | 4.91 | 5.00 | 5.05 | 4.97 | |
| Allantoin | 3.54 | 3.58 | 2.98 | 3.90 | 3.74 | |
| alpha-Ketoisovalerate | 4.31 | 4.64 | 4.14 | 4.30 | 4.53 | |
| Aminoadipate | 4.76 | 5.18 | 5.59 | 4.97 | 5.01 | |
| Anserine | 3.76 | 3.16 | 3.22 | 3.54 | 3.27 | |
| Arabitol | 3.70 | 3.45 | 3.20 | 3.51 | 3.33 | |
| Arginine | 5.37 | 5.37 | 5.47 | 5.35 | 5.39 | |
| Argininosuccinate | 2.86 | 2.86 | 3.50 | 2.99 | 2.96 | |
| Ascorbate | 4.07 | 3.84 | 3.59 | 3.91 | 3.82 | |
| Asparagine | 4.70 | 4.66 | 4.68 | 4.80 | 4.73 | |
| Aspartate | 5.61 | 5.59 | 5.79 | 5.74 | 5.57 | |
| Azelate | 4.93 | 4.61 | 4.77 | 4.86 | 4.51 | |
| Benzaldehyde | 2.60 | 2.74 | 2.75 | 2.47 | 2.75 | |
| Benzoate | 4.50 | 4.26 | 4.88 | 4.42 | 4.09 | |
| Benzylamine | 3.92 | 3.95 | 3.95 | 4.01 | 4.06 | |
| Betaine | 6.76 | 6.77 | 6.66 | 6.83 | 6.92 | |
| Betaine aldehyde | 4.32 | 4.45 | 4.58 | 4.40 | 4.52 | |
| Biliverdin | 3.22 | 3.80 | 2.89 | 3.07 | 3.87 | |
| Biotin | 3.33 | 3.19 | 3.34 | 3.12 | 3.21 | |
| Bis(2-ethylhexyl)phthalate | 4.05 | 4.00 | 3.98 | 4.21 | 4.17 | |
| Butanoate | 4.61 | 4.30 | 4.33 | 4.22 | 4.10 | |
| Caffeate | 4.03 | 3.21 | 3.09 | 3.19 | 3.21 | |
| Caffeine | 4.62 | 4.36 | 4.49 | 4.15 | 4.46 | |
| Carnitine | 6.75 | 6.94 | 7.12 | 6.84 | 7.03 | |
| Carnitine (12:0) | 4.78 | 4.99 | 4.65 | 4.85 | 5.06 | |
| Carnitine (14:0) | 4.33 | 4.76 | 4.63 | 4.45 | 4.81 | |
| Carnitine (16:0) | 4.74 | 5.25 | 5.66 | 4.93 | 5.45 | |
| Carnitine (18:1) | 5.06 | 5.75 | 5.79 | 5.19 | 5.77 | |
| Carnitine (3:0) | 5.80 | 5.61 | 5.57 | 5.58 | 6.12 | |
| Carnitine (4:0) | 6.59 | 6.43 | 6.69 | 6.39 | 6.48 | |
| Carnitine (6:0) | 5.60 | 5.12 | 5.05 | 5.31 | 5.22 | |
| Carnitine (8:0) | 4.76 | 4.75 | 4.46 | 4.85 | 4.72 | |
| Carnitine (glutaryl) | 5.18 | 4.60 | 5.01 | 4.76 | 4.61 | |
| Carnosine | 3.98 | 3.42 | 3.51 | 3.77 | 3.31 | |
| CDP-ethanolamine | 5.53 | 5.61 | 5.83 | 5.63 | 5.42 | |
| Cholate | 3.26 | 3.18 | 2.95 | 2.81 | 3.08 | |
| cis-4-Hydroxyproline | 3.79 | 3.76 | 3.74 | 3.87 | 3.82 | |
| cis-Aconitate | 4.59 | 4.91 | 4.57 | 4.72 | 4.77 | |
| Citicoline | 4.23 | 4.38 | 4.53 | 4.47 | 4.27 | |
| Citramalate | 5.16 | 4.57 | 4.17 | 4.68 | 4.27 | |
| Citrate | 6.81 | 7.29 | 7.04 | 6.93 | 7.20 | |
| Citrulline | 3.72 | 4.16 | 4.33 | 3.99 | 4.20 | |
| Cortexolone | 3.20 | 3.04 | 2.84 | 3.09 | 3.03 | |
| Cortisone | 3.51 | 2.98 | 3.15 | 3.00 | 3.06 | |
| Creatine | 6.85 | 7.03 | 6.86 | 6.93 | 6.67 | |
| Creatinine | 6.63 | 6.46 | 6.26 | 6.54 | 6.17 | |
| Cyclic ADP-ribose | 6.24 | 6.09 | 6.74 | 6.29 | 6.02 | |
| Cyclic AMP | 4.36 | 4.66 | 4.48 | 4.54 | 4.35 | |
| Cystathionine | 4.50 | 4.97 | 5.08 | 5.17 | 5.11 | |
| Cysteine | 3.54 | 3.15 | 2.98 | 3.12 | 3.15 | |
| Cystine | 4.53 | 3.96 | 3.85 | 3.98 | 3.92 | |
| Cytidine | 5.96 | 6.06 | 6.53 | 6.33 | 6.05 | |
| Cytidine cyclic phosphate | 4.04 | 4.11 | 3.91 | 4.05 | 4.26 | |
| Cytidine diphosphate | 3.98 | 3.53 | 3.13 | 3.48 | 3.53 | |
| Cytidine monophosphate | 5.47 | 5.83 | 6.03 | 5.71 | 5.76 | |
| Cytosine | 4.71 | 4.77 | 5.00 | 4.78 | 4.81 | |
| Decadienoylcarnitine | 3.63 | 3.62 | 3.92 | 3.69 | 3.68 | |
| Decanoylcarnitine | 4.89 | 5.06 | 4.70 | 5.02 | 5.05 | |
| Deoxyadenosine | 2.99 | 3.18 | 2.78 | 3.02 | 2.92 | |
| Deoxyadenosine monophosphate | 3.50 | 3.78 | 3.91 | 3.56 | 3.80 | |
| Deoxycarnitine | 5.84 | 6.03 | 6.28 | 5.85 | 6.20 | |
| Deoxycholate | 3.12 | 3.44 | 2.53 | 3.01 | 3.34 | |
| Deoxycytidine | 3.20 | 3.17 | 3.07 | 3.29 | 3.22 | |
| Deoxycytidine monophosphate | 3.98 | 4.23 | 3.86 | 4.17 | 4.46 | |
| Deoxyguanosine | 3.42 | 3.51 | 3.33 | 3.32 | 3.18 | |
| Deoxyguanosine monophosphate | 7.05 | 7.09 | 7.09 | 7.10 | 7.27 | |
| Deoxyinosine | 3.33 | 3.41 | 3.27 | 3.11 | 3.03 | |
| Deoxyribose | 2.79 | 2.81 | 2.85 | 2.77 | 2.79 | |
| Deoxyuridine | 4.34 | 3.91 | 3.37 | 4.01 | 3.73 | |
| Deoxyuridine monophosphate | 3.36 | 3.23 | 2.97 | 3.17 | 3.22 | |
| Diacetyl | 3.38 | 3.36 | 3.33 | 3.43 | 3.41 | |
| Diaminopimelate | 4.27 | 4.30 | 3.80 | 3.89 | 3.92 | |
| Diethanolamine | 2.55 | 2.57 | 1.85 | 2.47 | 2.62 | |
| Dihydrouracil | 3.53 | 3.64 | 3.32 | 3.65 | 3.56 | |
| Dimethylglycine | 4.14 | 4.08 | 4.25 | 4.12 | 4.11 | |
| Docosahexaenoate | 3.24 | 3.49 | 3.03 | 3.19 | 3.31 | |
| Dopamine | 3.49 | 3.78 | 3.76 | 3.57 | 3.54 | |
| Eicosapentaenoate | 2.48 | 2.75 | 2.71 | 2.38 | 2.63 | |
| Erythrose 4-phosphate | 3.71 | 3.76 | 3.54 | 3.70 | 3.86 | |
| Ethylmalonate | 3.87 | 3.71 | 3.54 | 3.64 | 3.49 | |
| FA (16:0) | 3.17 | 3.48 | 3.36 | 3.29 | 3.20 | |
| FA (18:1) | 3.02 | 3.69 | 3.55 | 3.14 | 3.34 | |
| FAD | 5.74 | 5.03 | 5.29 | 5.22 | 4.92 | |
| Ferulate | 3.36 | 3.11 | 3.16 | 3.22 | 3.18 | |
| Folate | 3.29 | 3.14 | 3.13 | 3.23 | 3.42 | |
| Fructose 1,6-bisphophate | 5.50 | 6.18 | 6.79 | 6.20 | 6.09 | |
| Fructose 6-phosphate | 4.81 | 5.21 | 5.52 | 5.14 | 4.90 | |
| Fumarate | 4.98 | 4.61 | 4.31 | 4.59 | 4.81 | |
| Gamma-linoleonate | 1.96 | 2.49 | 2.02 | 2.01 | 2.34 | |
| Gluconate | 7.48 | 7.14 | 6.97 | 7.27 | 6.92 | |
| Gluconolactone | 3.96 | 3.68 | 3.36 | 3.84 | 3.40 | |
| Glucosamine 6-phosphate | 4.28 | 4.37 | 4.40 | 4.17 | 4.52 | |
| Glucosamine 6-sulfate | 3.81 | 3.89 | 3.88 | 3.72 | 4.13 | |
| Glucuronate | 4.98 | 4.38 | 4.22 | 4.63 | 4.06 | |
| Glucuronolactone | 2.80 | 3.23 | 3.49 | 3.29 | 3.33 | |
| Glutamate | 6.76 | 6.91 | 7.00 | 6.90 | 7.00 | |
| Glutamine | 5.37 | 5.76 | 5.92 | 5.83 | 5.88 | |
| Glutarate | 4.51 | 4.78 | 4.68 | 4.49 | 4.56 | |
| Glutathione | 3.84 | 5.09 | 5.94 | 5.28 | 5.10 | |
| Glutathione disulfide | 5.10 | 7.20 | 7.74 | 7.34 | 7.50 | |
| Glyceraldehyde 3-phosphate | 4.49 | 4.85 | 4.91 | 4.85 | 4.83 | |
| Glycerate | 4.51 | 4.82 | 4.45 | 4.57 | 4.57 | |
| Glycerol 3-phosphate | 5.53 | 5.17 | 5.38 | 5.14 | 5.18 | |
| Glycerophosphocholine | 6.43 | 6.45 | 7.10 | 6.67 | 6.60 | |
| Glycine | 3.21 | 3.27 | 2.96 | 3.26 | 3.27 | |
| Glycochenodeoxycholate | 4.04 | 4.55 | 3.65 | 4.12 | 4.09 | |
| Glycocholate | 4.51 | 4.42 | 3.50 | 4.38 | 4.05 | |
| Glycodeoxycholate | 3.84 | 4.14 | 3.15 | 3.74 | 3.87 | |
| Glycolate | 3.98 | 4.04 | 3.81 | 4.01 | 3.99 | |
| Glycolithocholate | 2.53 | 2.96 | 1.87 | 2.33 | 2.82 | |
| Glycoursodeoxycholate | 3.39 | 3.57 | 3.24 | 3.46 | 3.69 | |
| Glyoxylate | 3.25 | 2.98 | 2.83 | 3.07 | 3.01 | |
| Guanidinoacetate | 5.22 | 4.66 | 5.32 | 4.76 | 4.74 | |
| Guanidinosuccinate | 3.92 | 3.25 | 2.98 | 3.57 | 3.17 | |
| Guanine | 5.47 | 5.48 | 5.79 | 5.34 | 5.52 | |
| Guanosine | 5.56 | 5.74 | 5.76 | 5.41 | 5.10 | |
| Guanosine monophosphate | 6.53 | 6.51 | 6.74 | 6.33 | 6.55 | |
| Gulonolactone | 4.54 | 4.28 | 4.13 | 4.45 | 4.05 | |
| Heptadecanoate | 2.27 | 2.44 | 2.42 | 2.28 | 2.43 | |
| Hexosamines | 2.72 | 2.84 | 2.82 | 2.80 | 2.83 | |
| Hexose | 4.78 | 4.41 | 3.80 | 4.83 | 4.20 | |
| Hippurate | 6.71 | 5.43 | 4.38 | 5.58 | 5.22 | |
| Histamine | 5.00 | 5.34 | 5.94 | 5.29 | 5.40 | |
| Histidine | 4.65 | 4.51 | 4.49 | 4.57 | 4.63 | |
| Homocysteine | 2.97 | 3.03 | 3.25 | 2.89 | 2.99 | |
| Homogentisate | 4.05 | 3.51 | 3.36 | 3.56 | 3.56 | |
| Homoserine | 4.45 | 4.38 | 4.15 | 4.43 | 4.49 | |
| Hydroquinone | 3.40 | 3.16 | 3.19 | 3.07 | 3.16 | |
| Hydroxy-FA (12:0) | 3.50 | 3.55 | 3.38 | 3.56 | 3.43 | |
| Hydroxy-isocaproate | 4.61 | 4.53 | 4.83 | 4.64 | 4.56 | |
| Hydroxykynurenine | 3.37 | 3.00 | 2.66 | 2.85 | 2.78 | |
| Hydroxyphenyllactate | 5.10 | 4.86 | 4.81 | 4.84 | 4.62 | |
| Hyocholate | 2.38 | 2.43 | 2.09 | 2.19 | 2.61 | |
| Hypotaurine | 3.32 | 3.69 | 4.16 | 3.32 | 3.82 | |
| Hypoxanthine | 7.13 | 6.77 | 6.85 | 6.89 | 6.85 | |
| Indole-3-acetate | 3.01 | 2.72 | 2.63 | 2.76 | 2.82 | |
| Indole-3-carboxylate | 3.37 | 2.86 | 2.66 | 3.15 | 2.88 | |
| Indole-3-ethanol | 2.63 | 2.71 | 2.46 | 2.61 | 2.76 | |
| Indoleacetaldehyde | 2.66 | 2.44 | 2.01 | 2.24 | 2.53 | |
| Inosine | 7.27 | 7.20 | 7.14 | 7.07 | 6.88 | |
| Isocitrate | 5.53 | 6.42 | 6.01 | 5.76 | 6.11 | |
| Isoleucine | 6.69 | 6.63 | 6.46 | 6.58 | 6.63 | |
| Isovalerylcarnitine | 5.95 | 5.13 | 5.13 | 5.27 | 5.10 | |
| Itaconate | 3.71 | 3.71 | 3.69 | 3.66 | 3.73 | |
| Ketoleucine | 4.34 | 4.80 | 4.21 | 4.68 | 4.96 | |
| Kynurenine | 4.47 | 4.77 | 4.98 | 4.57 | 4.84 | |
| Lactate | 7.34 | 7.39 | 7.30 | 7.33 | 7.33 | |
| Lactose | 3.12 | 3.23 | 3.18 | 3.46 | 3.31 | |
| Lactoylglutathione | 3.38 | 4.07 | 4.18 | 4.09 | 3.85 | |
| L-DOPA | 3.99 | 4.57 | 4.65 | 4.15 | 4.31 | |
| Leucine | 6.69 | 6.62 | 6.46 | 6.58 | 6.62 | |
| Linoleate | 2.93 | 3.55 | 3.44 | 3.11 | 3.29 | |
| Lithocholate | 2.00 | 2.03 | 1.48 | 1.67 | 2.32 | |
| Lumichrome | 3.92 | 3.29 | 3.38 | 3.53 | 3.30 | |
| Lysine | 4.98 | 5.02 | 4.99 | 4.95 | 4.95 | |
| Lyso-PC (16:0) | 5.20 | 5.62 | 5.19 | 5.49 | 5.66 | |
| Lyso-PC (18:1) | 4.97 | 5.43 | 4.71 | 5.12 | 5.35 | |
| Lyso-PE (16:0) | 3.92 | 3.57 | 3.44 | 3.69 | 3.71 | |
| Lyso-PE (18:1) | 4.05 | 3.87 | 3.69 | 3.81 | 3.90 | |
| Malate | 6.74 | 6.75 | 6.69 | 6.69 | 6.81 | |
| Maleate | 3.56 | 3.45 | 3.32 | 3.37 | 3.50 | |
| Maleimide | 3.88 | 3.48 | 3.27 | 3.53 | 3.57 | |
| Malonate | 3.62 | 3.68 | 3.47 | 3.71 | 3.55 | |
| Mannitol | 4.24 | 4.41 | 4.79 | 4.35 | 4.21 | |
| Mesaconate | 3.65 | 3.71 | 3.67 | 3.71 | 3.63 | |
| Methionine | 5.35 | 5.20 | 4.97 | 5.11 | 5.17 | |
| Methionine sulfoxide | 3.66 | 3.50 | 3.18 | 3.65 | 3.59 | |
| Methyl jasmonate | 2.87 | 2.80 | 2.68 | 2.76 | 2.99 | |
| Mevalolactone | 3.00 | 2.99 | 2.82 | 3.07 | 3.01 | |
| Mevalonate | 3.82 | 3.52 | 3.26 | 3.41 | 3.40 | |
| Murideoxycholate | 2.20 | 2.49 | 2.57 | 2.46 | 2.73 | |
| N1-Acetylspermine | 2.87 | 3.25 | 3.37 | 3.25 | 3.13 | |
| N-Acetylalanine | 4.29 | 4.60 | 4.25 | 4.33 | 4.82 | |
| N-Acetylarginine | 4.72 | 4.71 | 4.61 | 4.59 | 4.86 | |
| N-Acetylasparagine | 3.94 | 4.40 | 4.12 | 4.25 | 4.63 | |
| N-Acetylaspartate | 6.89 | 5.65 | 5.71 | 5.76 | 5.30 | |
| N-Acetylaspartylglutamate | 4.54 | 3.58 | 3.45 | 3.85 | 3.55 | |
| N-Acetylcysteine | 3.65 | 3.62 | 3.31 | 3.67 | 3.42 | |
| N-Acetylglucosamine | 3.97 | 3.86 | 3.61 | 3.71 | 3.75 | |
| N-Acetylglutamate | 5.49 | 5.02 | 4.92 | 5.02 | 4.91 | |
| N-Acetylglycine | 3.56 | 3.60 | 3.31 | 3.54 | 3.70 | |
| N-Acetylleucine | 4.14 | 4.31 | 4.41 | 4.37 | 4.57 | |
| N-Acetylmethionine | 4.26 | 4.16 | 4.34 | 3.89 | 3.95 | |
| N-Acetylneuraminate | 5.81 | 6.40 | 7.05 | 6.43 | 6.66 | |
| N-Acetylornithine | 3.54 | 3.55 | 3.15 | 3.24 | 3.40 | |
| N-Acetylphenylalanine | 4.14 | 4.06 | 3.45 | 4.26 | 4.10 | |
| N-Acetylproline | 3.31 | 3.23 | 3.17 | 3.36 | 3.31 | |
| N-Acetylputrescine | 3.96 | 3.63 | 3.38 | 3.81 | 3.39 | |
| N-Acetyltryptophan | 5.37 | 4.81 | 3.65 | 4.81 | 4.47 | |
| NAD+ | 6.19 | 5.91 | 6.56 | 5.97 | 5.99 | |
| NADPH | 3.15 | 3.08 | 2.99 | 3.12 | 3.35 | |
| N-alpha-Acetyllysine | 4.77 | 4.69 | 4.04 | 4.53 | 4.63 | |
| N-Formylglycine | 3.39 | 3.52 | 3.33 | 3.41 | 3.61 | |
| N-Formylmethionine | 3.80 | 4.02 | 4.10 | 3.55 | 3.75 | |
| Nicotinamide | 6.29 | 6.22 | 6.28 | 6.16 | 6.21 | |
| Nicotinamide hypoxanthine dinucleotide | 4.58 | 4.95 | 5.18 | 4.57 | 5.03 | |
| Nicotinamide mononucleotide | 4.44 | 4.40 | 4.47 | 4.35 | 4.45 | |
| Nicotinate | 3.63 | 3.58 | 3.46 | 3.54 | 3.51 | |
| N,N-Dimethylarginine | 5.21 | 5.01 | 4.97 | 5.05 | 4.91 | |
| N,N,N-Trimethyllysine | 3.96 | 3.72 | 3.63 | 3.77 | 3.74 | |
| Nor-Desoxycholate | 2.84 | 2.78 | 2.44 | 2.72 | 2.82 | |
| O-Acetylserine | 6.13 | 6.26 | 6.47 | 6.22 | 6.30 | |
| O-Adipoylcarnitine | 5.22 | 4.33 | 3.99 | 4.43 | 4.13 | |
| Octopamine | 3.14 | 3.01 | 2.98 | 2.99 | 3.20 | |
| O-Phosphoserine | 3.75 | 3.83 | 3.78 | 3.75 | 3.91 | |
| Ophthalmate | 4.20 | 5.27 | 6.24 | 5.63 | 5.43 | |
| Ornithine | 4.47 | 4.59 | 4.62 | 4.50 | 4.58 | |
| Orotate | 3.78 | 3.76 | 3.77 | 3.74 | 3.82 | |
| O-Succinylcarnitine | 4.94 | 4.91 | 5.48 | 4.97 | 5.04 | |
| O-Succinyl homoserine | 3.36 | 3.47 | 3.75 | 3.46 | 3.60 | |
| Oxoadipate | 3.70 | 3.77 | 3.62 | 3.75 | 3.81 | |
| Oxoproline | 6.67 | 6.70 | 6.88 | 6.71 | 6.71 | |
| Pantothenate | 6.22 | 5.75 | 5.29 | 5.76 | 5.70 | |
| Phenethylamine | 4.49 | 4.35 | 4.33 | 4.45 | 4.26 | |
| Phenylacetate | 3.32 | 3.12 | 2.88 | 3.07 | 3.18 | |
| Phenylalanine | 6.56 | 6.59 | 6.38 | 6.51 | 6.50 | |
| Phenylethanolamine | 3.13 | 3.08 | 2.82 | 2.88 | 2.92 | |
| Phenyllactate | 4.27 | 4.20 | 3.91 | 4.27 | 3.94 | |
| Phosphocreatine | 2.77 | 2.78 | 2.96 | 2.77 | 2.80 | |
| Phosphoethanolamine | 5.66 | 5.54 | 5.39 | 5.56 | 5.56 | |
| Phosphorylcholine | 6.15 | 6.02 | 6.52 | 6.27 | 6.23 | |
| Phosphoserine | 4.03 | 4.18 | 3.95 | 4.21 | 4.27 | |
| Pipecolate | 4.49 | 4.58 | 4.39 | 4.34 | 4.49 | |
| Porphobilinogen | 2.73 | 2.77 | 2.56 | 2.74 | 2.67 | |
| Proline | 6.26 | 6.30 | 6.22 | 6.18 | 6.30 | |
| Propionylcholine | 4.56 | 4.49 | 4.46 | 4.40 | 4.60 | |
| Pterin | 3.42 | 3.01 | 2.53 | 3.05 | 3.15 | |
| Putrescine | 2.48 | 2.90 | 2.51 | 2.55 | 2.74 | |
| Putrescine-NH3 | 3.06 | 3.35 | 3.18 | 3.27 | 3.36 | |
| Pyridoxal | 3.99 | 4.13 | 3.85 | 3.91 | 4.10 | |
| Pyridoxine | 3.95 | 3.85 | 3.75 | 3.80 | 3.77 | |
| Pyrocatechol | 3.99 | 3.53 | 3.20 | 3.71 | 3.51 | |
| Pyroglutamate | 6.67 | 6.70 | 6.88 | 6.70 | 6.71 | |
| Pyruvate | 4.69 | 4.78 | 4.61 | 4.84 | 4.65 | |
| Quinate | 4.93 | 4.73 | 3.88 | 5.17 | 4.69 | |
| Raffinose | 3.42 | 3.64 | 3.64 | 4.17 | 4.00 | |
| Ribitol | 2.53 | 2.46 | 2.55 | 2.38 | 2.40 | |
| Riboflavin | 4.14 | 3.48 | 3.26 | 3.81 | 3.68 | |
| Ribose 5-phosphate | 4.17 | 4.27 | 4.18 | 4.23 | 4.08 | |
| Saccharate | 4.54 | 4.64 | 4.64 | 4.91 | 4.34 | |
| S-adenosylhomocysteine | 5.28 | 5.12 | 4.75 | 5.04 | 4.92 | |
| S-Adenosylmethionine | 4.19 | 4.23 | 4.56 | 4.16 | 4.28 | |
| Salicylamide | 3.13 | 3.04 | 2.70 | 3.10 | 3.10 | |
| Salsolinol | 3.72 | 3.98 | 4.08 | 3.78 | 3.82 | |
| Sarcosine | 4.11 | 4.14 | 4.32 | 4.05 | 4.35 | |
| S-Carboxymethylcysteine | 3.16 | 2.88 | 2.85 | 2.95 | 2.86 | |
| Sebacate | 4.63 | 4.42 | 4.21 | 4.68 | 4.24 | |
| Sedoheptulose 7-phosphate | 4.18 | 4.29 | 3.99 | 4.43 | 4.47 | |
| Serine | 4.46 | 4.28 | 4.36 | 4.67 | 4.47 | |
| Serotonin | 3.07 | 3.07 | 2.80 | 2.82 | 2.83 | |
| S-Methylthioadenosine | 4.99 | 5.31 | 5.59 | 5.27 | 5.48 | |
| Sorbate | 3.22 | 3.28 | 2.95 | 3.21 | 3.37 | |
| Sorbitol | 2.79 | 2.84 | 3.16 | 2.79 | 2.76 | |
| Spermidine | 5.22 | 5.61 | 5.54 | 5.46 | 5.56 | |
| Spermine | 4.95 | 5.12 | 4.85 | 5.08 | 4.93 | |
| Stachyose | 3.84 | 3.92 | 4.18 | 4.46 | 4.69 | |
| Stearate | 3.17 | 3.35 | 3.25 | 3.25 | 3.32 | |
| Stearoylcarnitine | 3.46 | 3.93 | 4.09 | 3.62 | 3.88 | |
| Suberate | 4.59 | 4.27 | 4.35 | 4.39 | 4.12 | |
| Succinate | 6.68 | 6.33 | 6.33 | 6.35 | 6.50 | |
| Tartrate | 4.39 | 4.17 | 4.60 | 4.26 | 4.08 | |
| Taurine | 6.99 | 6.99 | 7.07 | 6.97 | 7.03 | |
| Tetrahydrobiopterin | 2.83 | 2.74 | 2.58 | 2.78 | 2.79 | |
| Theobromine | 4.54 | 4.52 | 3.90 | 4.46 | 4.57 | |
| Theophylline | 4.44 | 4.44 | 4.14 | 4.43 | 4.28 | |
| Thiamine monophosphate | 3.13 | 3.09 | 2.92 | 2.86 | 2.97 | |
| Threonine | 4.49 | 4.39 | 4.34 | 4.39 | 4.47 | |
| Thymidine | 3.62 | 3.50 | 3.14 | 3.36 | 3.32 | |
| Thymidine monophosphate | 4.86 | 5.11 | 5.49 | 4.87 | 4.89 | |
| Thymine | 3.57 | 3.37 | 3.09 | 3.44 | 3.35 | |
| Thyrotropin releasing hormone | 3.08 | 3.69 | 2.99 | 3.86 | 3.44 | |
| Thyroxine | 2.63 | 2.93 | 2.59 | 2.50 | 2.77 | |
| trans-2-Dodecenoylcarnitine | 4.46 | 4.69 | 4.43 | 4.70 | 4.75 | |
| trans-2-Tetradecenoylcarnitine | 4.80 | 5.05 | 4.74 | 4.85 | 5.05 | |
| trans-Aconitate | 4.28 | 4.35 | 4.45 | 4.29 | 4.24 | |
| trans-trans-Mucanoate | 3.11 | 3.04 | 2.83 | 3.02 | 3.15 | |
| Traumatate | 4.18 | 4.04 | 3.99 | 4.05 | 3.92 | |
| Trigonelline | 5.70 | 5.12 | 5.06 | 5.38 | 5.02 | |
| Trimethylamine | 3.63 | 3.57 | 3.37 | 3.68 | 3.62 | |
| Tryptophan | 6.40 | 6.05 | 5.95 | 6.04 | 5.94 | |
| Tyrosine | 6.13 | 5.95 | 5.62 | 5.89 | 6.07 | |
| UDP-Glucose | 4.09 | 4.65 | 4.71 | 4.40 | 4.56 | |
| UDP-N-acetylglucosamine | 4.70 | 5.30 | 5.19 | 5.04 | 4.94 | |
| Undecanedionate | 4.12 | 4.11 | 3.88 | 4.13 | 4.18 | |
| Uracil | 4.92 | 4.52 | 4.38 | 4.72 | 4.60 | |
| Uracil 5-carboxylate | 3.74 | 3.72 | 3.87 | 3.82 | 3.69 | |
| Urate | 7.06 | 6.95 | 6.80 | 6.90 | 7.15 | |
| Ureidopropionate | 3.62 | 3.56 | 3.44 | 3.50 | 3.58 | |
| Uridine | 6.12 | 5.99 | 5.51 | 5.94 | 5.80 | |
| Uridine diphosphate | 4.35 | 4.52 | 4.42 | 4.76 | 4.44 | |
| Uridine monophosphate | 5.08 | 4.51 | 4.42 | 4.51 | 4.03 | |
| Urocanate | 4.33 | 4.13 | 4.07 | 4.33 | 4.23 | |
| Ursocholate | 2.77 | 2.49 | 2.49 | 2.50 | 2.58 | |
| Ursodeoxycholate | 2.23 | 2.50 | 2.57 | 2.47 | 2.75 | |
| Valine | 4.72 | 4.65 | 4.39 | 4.65 | 4.71 | |
| Xanthine | 6.75 | 6.32 | 6.17 | 6.55 | 6.50 | |
| Xanthosine | 5.61 | 5.11 | 5.02 | 5.45 | 5.27 |
Factors:
| F1 | Sample source:Adjacent_Kidney | Diagnosis:- |
| F2 | Sample source:Primary_Tumour | Diagnosis:CCRCC |
| F3 | Sample source:Primary_Tumour | Diagnosis:CHROMOPHOBE |
| F4 | Sample source:Primary_Tumour | Diagnosis:ONCOCYTOMA |
| F5 | Sample source:Primary_Tumour | Diagnosis:PAPILLARY |