Clustering data with hclust algorithm for (Study ST000016)
(Analysis AN000033)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NORMETANEPHRINE | ME644535 | 0.01 | NA | 0.01 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 0.06 | NA | NA | 0.01 | 0.05 | 0.03 | 23.43 | NA | NA | 0.05 | NA | NA | 5.92 | NA |
| 1,2-DIPALMITOYL-SN-GLYCEROL | ME644194 | 0.27 | 1.27 | 0.76 | 0.76 | 0.06 | 0.11 | 0.23 | 1.24 | 0.15 | 0.13 | 0.16 | 0.14 | 0.10 | 22.66 | 2.76 | 3.25 | 0.11 | 0.07 | 0.85 | 0.54 | 0.13 | 0.10 |
| STACHYOSE | ME644616 | 1.37 | 0.99 | 0.97 | 0.08 | 11.40 | 0.05 | 0.44 | 1.66 | 0.18 | 0.18 | 2.09 | 1.31 | 0.43 | 0.32 | 0.49 | 0.32 | 0.12 | 0.29 | 0.89 | 0.46 | NA | 0.28 |
| DEOXYCHOLATE | ME644366 | 2.96 | 6.69 | 3.78 | 0.01 | 0.01 | 0.02 | 2.79 | 3.80 | 0.01 | 0.01 | 6.14 | 5.10 | 0.01 | 0.10 | NA | 2.22 | 0.01 | 0.01 | 1.90 | 1.74 | 0.01 | 0.01 |
| DIACYL-PHOSPHATIDYLCHOLINE | ME644375 | 0.38 | 2.05 | 0.13 | 6.93 | NA | 0.10 | 0.22 | 0.08 | NA | NA | 7.24 | 0.33 | NA | NA | 0.09 | 0.20 | 0.07 | NA | 0.10 | 0.05 | 4.10 | 0.02 |
| CARNOSINE | ME644335 | NA | NA | NA | 5.39 | 4.57 | NA | NA | 0.11 | NA | 0.40 | NA | NA | 0.40 | 0.39 | NA | 0.07 | 0.38 | 0.25 | 0.15 | NA | 0.45 | 0.37 |
| 4-ACETAMIDOBUTANOATE | ME644254 | 0.08 | 0.10 | 0.06 | 10.13 | NA | NA | 0.09 | NA | NA | NA | 0.02 | 0.03 | NA | NA | 0.10 | NA | NA | 2.00 | 0.02 | NA | NA | 2.13 |
| DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (???) | ME644382 | 0.97 | 1.48 | 1.24 | 11.34 | NA | 0.08 | 1.09 | 1.47 | 0.38 | 0.04 | 0.78 | 0.98 | 0.06 | 0.21 | 0.68 | 0.63 | 0.03 | 0.04 | 0.88 | 0.90 | 0.04 | NA |
| METHYL ACETOACETATE | ME644487 | NA | 0.99 | NA | 9.58 | 1.18 | 0.63 | 1.07 | 0.46 | 0.39 | 0.34 | NA | 0.54 | NA | 0.54 | 0.37 | 0.73 | 0.61 | 0.37 | 0.96 | 0.98 | NA | NA |
| NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE | ME644528 | 0.31 | 0.39 | 0.35 | 0.01 | 0.01 | NA | 0.41 | 0.70 | 0.00 | NA | 0.08 | 0.02 | NA | NA | 2.95 | 8.17 | 0.03 | NA | 0.54 | 1.70 | 0.05 | NA |
| NICOTINAMIDE ADENINE DINUCLEOTIDE | ME644527 | 0.31 | 0.30 | 0.32 | 0.01 | 0.00 | 0.00 | 0.42 | 0.69 | 0.00 | 0.01 | 0.16 | 0.31 | 0.00 | 0.00 | 3.32 | 10.40 | 0.03 | 0.02 | 0.62 | 1.89 | 0.05 | 0.02 |
| NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE | ME644531 | 0.10 | 0.10 | 0.32 | 0.00 | 0.00 | 0.00 | 0.21 | 0.21 | 0.01 | NA | NA | NA | NA | NA | 3.39 | 9.46 | 0.03 | 0.01 | 0.62 | 1.96 | 0.05 | 0.02 |
| QUINOLINE | ME644591 | 0.20 | 1.08 | 0.78 | 0.54 | 0.45 | 0.37 | 0.26 | 0.14 | NA | 0.39 | 0.86 | 1.02 | NA | NA | 0.61 | 0.69 | NA | 0.28 | 2.54 | 0.72 | 9.96 | NA |
| L-LEUCYL-L-LEUCINE | ME644479 | NA | NA | NA | NA | NA | 0.09 | 0.03 | 0.29 | 0.19 | 0.19 | 1.21 | 0.67 | 0.14 | NA | 0.12 | NA | NA | 0.15 | 0.18 | 0.12 | 8.71 | NA |
| N-ACETYLNEURAMINATE | ME644517 | 0.23 | 0.47 | NA | 0.11 | 0.02 | 0.06 | 0.14 | 0.46 | 0.36 | 0.28 | 0.80 | 1.04 | 0.47 | 0.47 | 0.93 | 0.71 | 0.61 | 0.38 | 0.76 | 0.46 | 8.13 | 0.47 |
| DIACYLGLYCEROPHOSPHOGLYCEROL | ME644374 | NA | NA | NA | 0.50 | 0.15 | 0.95 | NA | NA | 1.88 | 0.07 | NA | 3.80 | 6.72 | 0.05 | 0.14 | NA | 1.23 | 0.03 | NA | NA | 0.06 | 0.04 |
| SQUALENE | ME644615 | NA | NA | 8.18 | 0.24 | 0.41 | 0.41 | 1.06 | 0.96 | 0.20 | 0.31 | 1.13 | 1.28 | 0.41 | 0.13 | NA | 0.65 | 0.13 | 0.34 | 1.04 | 1.68 | 0.16 | 0.43 |
| ACETOACETATE | ME644284 | 0.10 | 0.12 | 0.07 | 1.18 | 0.88 | 0.97 | NA | NA | 0.63 | NA | NA | NA | NA | 7.50 | 0.12 | NA | 0.68 | NA | NA | NA | 0.44 | NA |
| AMINOHYDROXYBENZOIC ACID | ME644305 | 1.94 | NA | 2.62 | NA | NA | 7.54 | 0.67 | 0.25 | 1.15 | 0.88 | 0.76 | 0.73 | 1.12 | 0.78 | NA | 0.23 | 1.48 | 0.78 | 0.31 | 0.35 | 1.44 | 1.25 |
| SPERMIDINE | ME644611 | 0.17 | 0.12 | 0.31 | 3.05 | 0.61 | 0.87 | 0.14 | 0.06 | 1.03 | 0.77 | 0.09 | 0.14 | 2.29 | 0.74 | 0.07 | 0.15 | 5.91 | 0.48 | 0.04 | 0.11 | 1.61 | 0.57 |
| N-ACETYL-L-ASPARTIC ACID | ME644513 | 3.88 | 3.52 | 3.68 | 1.15 | 1.32 | 1.19 | 0.09 | 0.04 | 0.07 | 0.08 | 0.04 | 0.07 | 0.07 | 0.09 | 0.83 | 1.39 | 0.09 | 0.07 | 0.21 | 0.20 | 0.09 | 0.06 |
| DIHYDROTHYMINE | ME644381 | 3.46 | 2.29 | 3.52 | 0.52 | 0.57 | 0.48 | 0.56 | 0.31 | 0.56 | 0.44 | 0.31 | 0.25 | 0.61 | 0.52 | 1.37 | 1.21 | 0.86 | 0.59 | 0.56 | 0.40 | 1.02 | 0.94 |
| XANTHOSINE | ME644654 | 3.44 | 1.92 | 2.64 | 0.39 | 0.41 | 0.40 | NA | NA | 0.60 | 0.65 | NA | NA | 0.67 | 0.83 | 0.73 | 0.51 | 0.69 | 0.73 | NA | 0.34 | 0.72 | 0.73 |
| CREATINE | ME644348 | 4.09 | 3.72 | 4.21 | 0.07 | 0.09 | 0.09 | 1.37 | 1.35 | 0.06 | 0.05 | 0.06 | NA | 0.05 | 0.04 | 1.29 | 2.23 | 0.07 | 0.05 | 0.53 | 0.55 | 0.06 | 0.05 |
| 1-OLEOYL-RAC-GLYCEROL | ME644201 | 6.08 | 4.87 | 4.71 | 0.05 | 0.07 | 0.06 | 0.18 | 0.12 | 0.03 | 0.05 | 0.11 | 0.39 | 0.04 | 0.05 | 0.03 | 0.06 | 0.04 | NA | 0.04 | 0.09 | 0.05 | 0.04 |
| 2^-DEOXYADENOSINE | ME644213 | 5.61 | 2.83 | 2.95 | 0.27 | 0.23 | 0.22 | 1.14 | 1.20 | 0.10 | 0.16 | 0.57 | 0.44 | 0.20 | 0.24 | 0.29 | 0.37 | 0.22 | 0.57 | 0.52 | 0.32 | 0.16 | 0.22 |
| 5^-DEOXYADENOSINE | ME644272 | 5.83 | 2.95 | 3.08 | 0.22 | 0.18 | 0.26 | 1.20 | 1.27 | 0.10 | 0.13 | 0.63 | 0.48 | 0.21 | 0.18 | 0.31 | 0.40 | 0.24 | 0.59 | 0.51 | 0.35 | 0.29 | 0.23 |
| LINOLEOYLGLYCEROPHOSPHOCHOLINE | ME644476 | 4.85 | 2.38 | 4.68 | 0.12 | 0.22 | 0.13 | 0.78 | 0.72 | 0.32 | 0.09 | 0.98 | 1.10 | 0.09 | 0.11 | 0.31 | 0.22 | 0.09 | 0.09 | 0.46 | 0.73 | 0.08 | 0.08 |
| THYMIDINE | ME644628 | 3.95 | 2.73 | 4.24 | NA | NA | NA | 0.04 | 0.08 | NA | NA | 0.62 | 0.60 | 0.42 | 0.32 | 0.56 | 0.55 | 0.61 | 0.52 | 0.10 | 0.13 | 0.43 | 0.63 |
| 3-HYDROXY-DL-KYNURENINE | ME644248 | 4.13 | 2.44 | 4.10 | 0.04 | 0.04 | 0.04 | 0.09 | 0.33 | NA | 0.02 | 0.22 | 0.18 | NA | NA | 0.07 | 0.06 | NA | NA | 0.14 | 0.07 | NA | NA |
| ADENOSINE 3^,5^-CYCLIC MONOPHOSPHATE | ME644289 | 4.73 | 2.88 | 4.89 | 0.02 | 0.05 | NA | 0.29 | 0.29 | NA | NA | 0.21 | 0.27 | 0.06 | 0.03 | 0.21 | 0.44 | 0.03 | 0.05 | 0.27 | 0.34 | NA | 0.06 |
| GLYCERIC ACID | ME644429 | 0.70 | 2.80 | 1.63 | 0.22 | 0.25 | 0.36 | 0.96 | 0.21 | NA | NA | 0.84 | 1.02 | NA | 0.30 | NA | 2.89 | NA | NA | 0.59 | 0.23 | NA | NA |
| GLUTATHIONE OXIDIZED | ME644426 | 2.98 | 2.05 | 2.93 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2.47 | 2.19 | 0.00 | NA | 0.30 | 0.87 | 0.00 | 0.00 |
| GLUTATHIONE REDUCED | ME644427 | 1.95 | 2.27 | 2.02 | 0.00 | 0.00 | NA | 0.01 | 0.01 | NA | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 0.93 | 4.18 | NA | 0.00 | 0.11 | 1.31 | NA | NA |
| N-ACETYL-DL-GLUTAMIC ACID | ME644509 | 0.42 | 0.34 | 0.44 | 0.30 | 0.31 | 0.25 | 8.10 | 5.24 | 0.08 | 0.05 | 0.23 | 0.23 | 0.01 | NA | 0.57 | 1.15 | 0.03 | 0.01 | 0.10 | 0.14 | 0.00 | 0.01 |
| DIHYDROOROTATE | ME644380 | 0.23 | 0.21 | 0.30 | 0.28 | 0.42 | 0.11 | 5.96 | 0.24 | NA | 0.04 | 0.33 | 0.71 | NA | 0.31 | 0.69 | 0.47 | 0.05 | 0.16 | 0.18 | 0.67 | 0.37 | 0.12 |
| ADENOSINE | ME644287 | 1.79 | 0.96 | 0.69 | 0.01 | 0.00 | 0.00 | 5.05 | 4.45 | 0.02 | 0.02 | 2.55 | 2.67 | 0.04 | 0.02 | 0.59 | 0.83 | 0.06 | 0.01 | 0.85 | 1.05 | 0.04 | 0.02 |
| ADENINE | ME644286 | 3.67 | 2.20 | 2.11 | 0.54 | 0.50 | 0.58 | 3.98 | 4.51 | 0.05 | 0.04 | 0.33 | 0.42 | 0.05 | 0.03 | 0.40 | 0.27 | 0.07 | 0.04 | 0.35 | 0.37 | 0.20 | 0.07 |
| PYRIDINE CARBOXYLIC ACID | ME644585 | 0.63 | 0.70 | 0.74 | 0.29 | 1.22 | 1.57 | 4.29 | 5.21 | 1.20 | 0.78 | 0.06 | 0.05 | 0.03 | 0.03 | NA | NA | 0.09 | 0.03 | 0.02 | NA | 0.08 | 0.06 |
| 2^-DEOXYGUANOSINE 5^-DIPHOSPHATE | ME644218 | 0.44 | 0.50 | 0.58 | NA | NA | NA | 3.27 | 2.98 | 0.09 | 0.08 | 0.28 | 0.45 | 0.08 | NA | 0.94 | 0.87 | NA | 0.08 | 0.29 | 0.37 | NA | 0.10 |
| 4-GUANIDINOBUTANOIC ACID | ME644258 | 0.75 | 0.62 | 0.77 | 0.91 | 0.95 | 0.90 | 3.29 | 2.43 | 0.90 | 0.88 | 0.68 | 0.71 | 1.03 | 0.98 | 1.15 | 1.52 | 0.55 | 0.51 | 0.74 | 0.78 | 0.47 | 0.53 |
| DIMETHYLGUANOSINE | ME644387 | 1.26 | 1.34 | 1.35 | 0.42 | 0.60 | 0.39 | 3.67 | 2.67 | 0.91 | 0.42 | 0.83 | 0.83 | 0.42 | 0.50 | 0.64 | 0.98 | 0.69 | 0.82 | 0.48 | 0.38 | 0.75 | 1.59 |
| POSSIBLY C42H80NO7P, Na ADDUCT | ME644573 | NA | NA | NA | 1.84 | 0.20 | 1.51 | NA | NA | 0.79 | 0.75 | NA | 5.24 | 0.39 | 0.12 | NA | NA | 1.22 | 0.38 | NA | NA | 0.41 | 1.11 |
| O-SUCCINYL-L-HOMOSERINE | ME644548 | NA | 0.21 | 0.25 | NA | NA | NA | 0.45 | 0.23 | 0.06 | 0.23 | 1.16 | 0.91 | 0.11 | NA | 0.69 | 1.13 | 0.15 | 0.07 | 2.07 | 3.73 | 0.21 | 0.08 |
| S-ADENOSYL METHIONINE | ME644602 | 0.25 | 0.18 | 0.41 | 0.23 | 0.20 | 0.08 | NA | 0.15 | 0.26 | 0.17 | 0.67 | NA | 0.30 | 0.14 | 0.41 | 0.97 | 0.16 | 0.25 | 4.18 | 5.18 | 0.58 | 0.32 |
| ADENOSINE 5`-TRIPHOSPHATE | ME644290 | 0.79 | 1.38 | 0.78 | 0.60 | 0.49 | 0.51 | 1.90 | 2.30 | 0.29 | 0.21 | 4.23 | NA | 0.75 | 0.40 | 2.06 | NA | 0.71 | 0.60 | 2.94 | 2.70 | 0.58 | 0.55 |
| 5-Aminoimidazole ribotide | ME644268 | 0.02 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 1.47 | 1.33 | 0.11 | 0.07 | 3.59 | 5.25 | 0.19 | 0.09 | 0.20 | 0.16 | 0.29 | 0.08 | 1.05 | 5.36 | 0.26 | 0.23 |
| GLYCEROPHOSPHOCHOLINE | ME644431 | 0.04 | 0.07 | 0.04 | 0.01 | 0.00 | 0.02 | 2.85 | 2.31 | 0.11 | 0.07 | 3.81 | 4.37 | 0.22 | 0.12 | 0.20 | 0.10 | 0.16 | 0.06 | 2.32 | 3.39 | 0.22 | 0.12 |
| 2^-DEOXYCYTIDINE | ME644215 | 0.48 | 0.40 | 0.50 | NA | NA | NA | 1.75 | 1.77 | 0.01 | 0.01 | 3.50 | 2.73 | 0.60 | 0.39 | 0.52 | 0.50 | 0.30 | 0.23 | 2.11 | 1.70 | 0.28 | 0.31 |
| 2-METHYLMALEATE | ME644225 | 0.44 | 0.66 | 0.39 | 0.16 | 0.15 | 0.12 | 1.59 | 1.71 | 0.27 | 0.52 | 4.37 | 3.64 | 0.25 | 0.39 | 0.21 | 0.41 | 0.43 | 0.31 | 0.91 | 1.87 | 0.27 | 0.34 |
| 5-HYDROXYMETHYLURACIL | ME644275 | 0.29 | 0.55 | 0.58 | NA | NA | 2.72 | NA | 0.32 | 4.36 | NA | 0.18 | 0.18 | NA | NA | 0.31 | 0.28 | NA | NA | 0.36 | NA | NA | NA |
| BUTYRYLCARNITINE | ME644331 | 0.42 | 0.43 | 0.41 | 2.26 | 2.49 | 2.10 | 3.35 | 2.28 | 0.36 | 0.26 | 0.13 | 0.16 | 0.32 | 0.22 | 0.96 | 2.65 | 0.42 | 0.23 | 0.56 | 1.24 | 0.36 | 0.25 |
| ISOVALERYLCARNITINE | ME644467 | 1.25 | 1.24 | 1.69 | 1.32 | 1.72 | 1.36 | 1.36 | 2.50 | 0.24 | 0.24 | 0.06 | 0.12 | 0.26 | 0.19 | 1.75 | 5.06 | 0.58 | 0.33 | 0.08 | 0.20 | 0.26 | 0.20 |
| 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID | ME644219 | NA | 0.10 | NA | 0.38 | 0.52 | 0.54 | NA | NA | 1.18 | 0.89 | NA | NA | 1.39 | 0.94 | 2.83 | NA | 1.06 | 0.92 | NA | 2.98 | 1.16 | 1.26 |
| STEARAMIDE | ME644617 | 0.07 | 0.18 | 0.37 | 0.12 | 0.18 | 0.72 | 1.44 | 0.44 | 0.72 | 0.07 | 0.59 | 0.53 | 0.92 | 0.06 | 3.64 | 0.15 | 2.04 | 1.70 | 0.63 | 2.48 | NA | 2.76 |
| URIDINE 5^-DIPHOSPHO-N-ACETYLGALACTOSAMINE | ME644645 | 0.43 | 0.59 | NA | 0.99 | NA | NA | 0.57 | NA | 0.53 | 0.78 | NA | 2.85 | 0.70 | 0.60 | 3.07 | NA | 0.40 | 0.48 | 1.33 | NA | 0.30 | 0.53 |
| 3,3^,5-TRIIODO-L-THYRONINE | ME644231 | 0.71 | 0.57 | 0.76 | 0.76 | 0.54 | 0.64 | 2.35 | 0.76 | 0.29 | 0.46 | 1.17 | 1.15 | NA | 0.31 | 4.79 | 0.48 | 0.50 | 0.34 | 0.90 | 1.16 | 0.48 | NA |
| N-ALPHA-ACETYL-L-LYSINE | ME644520 | 0.58 | 0.88 | 0.70 | NA | NA | NA | 0.72 | 0.75 | 0.22 | 0.18 | NA | 2.43 | 0.25 | 0.37 | 6.59 | 0.69 | NA | NA | 0.78 | 0.57 | 1.29 | NA |
| 3,4-DIHYDROXYPHENYL GLYCOL | ME644235 | 0.23 | 0.55 | 0.27 | 0.96 | NA | NA | 0.32 | 0.20 | NA | 3.81 | 0.67 | 1.16 | 2.37 | 1.11 | 1.45 | NA | 1.65 | 0.28 | NA | 0.72 | 0.16 | 0.88 |
| PHENETHYLAMINE | ME644562 | NA | NA | 0.34 | 3.19 | 0.36 | 3.21 | 0.21 | 0.21 | 2.87 | 0.62 | 1.41 | NA | 1.75 | 0.55 | 1.19 | 0.62 | 2.66 | 1.60 | 0.23 | 0.57 | NA | NA |
| 4-IMIDAZOLEACETIC ACID | ME644261 | 1.85 | NA | NA | 5.48 | NA | 1.42 | NA | 1.48 | 0.95 | 0.35 | NA | NA | 0.45 | 0.41 | NA | 0.59 | 0.63 | 0.64 | 2.75 | 1.42 | 0.54 | 0.42 |
| 2,5-DIMETHYLPYRAZINE | ME644204 | 1.20 | 1.15 | 0.69 | 4.34 | NA | NA | 0.91 | 0.66 | NA | 0.21 | 1.02 | 0.46 | 1.31 | NA | NA | 0.98 | NA | NA | 0.66 | 0.71 | 1.48 | NA |
| 2-AMINO-2-DEOXYHEXOPYRANOSE | ME644211 | NA | 0.34 | 0.20 | 3.23 | NA | NA | NA | 0.81 | 1.23 | 1.13 | 0.30 | 1.16 | 0.71 | 1.22 | 0.26 | 0.31 | NA | 0.90 | 0.58 | 0.89 | 1.02 | 1.29 |
| DIPALMITOYLGLYCEROL | ME644390 | NA | NA | NA | 4.47 | 0.40 | 0.87 | NA | NA | 0.59 | 0.72 | NA | NA | 0.43 | 0.56 | NA | NA | 0.87 | 0.67 | 0.33 | NA | 1.08 | 1.43 |
| METHYLXANTHINE | ME644495 | NA | 1.10 | 0.72 | 1.25 | 1.34 | 1.48 | 0.35 | 0.22 | 1.65 | NA | 0.34 | 0.97 | 3.30 | 2.57 | NA | 0.16 | NA | 0.07 | 0.12 | NA | NA | NA |
| N4-ACETYLCYTIDINE | ME644504 | 0.85 | 1.00 | 0.72 | 1.32 | 1.54 | 1.21 | 2.09 | 1.54 | 0.04 | 0.04 | NA | NA | 0.09 | 0.14 | 0.09 | NA | 0.06 | 0.05 | NA | NA | 0.07 | 0.07 |
| HOMOCYSTINE | ME644449 | 2.38 | 1.95 | 2.43 | 1.55 | 2.18 | 0.78 | 1.36 | 0.85 | 0.28 | 0.19 | 0.46 | 0.38 | NA | 0.21 | 0.02 | 0.18 | 0.27 | 0.20 | 0.08 | 0.08 | 0.24 | 0.18 |
| PYRIDOXAL | ME644586 | 1.55 | 1.70 | 1.64 | 2.18 | 2.20 | 2.10 | 1.40 | 1.87 | 0.04 | 0.03 | 1.39 | 1.14 | 0.05 | 0.03 | 0.72 | 0.44 | 0.05 | 0.02 | 1.48 | 0.83 | 0.07 | 0.05 |
| THYMINE | ME644630 | 1.42 | 1.72 | 2.02 | 2.25 | 2.23 | 2.06 | 1.26 | 1.18 | 0.21 | 0.17 | 0.29 | 0.29 | NA | NA | 0.12 | 0.18 | NA | NA | 0.75 | 0.55 | 0.16 | 0.19 |
| PROPIONYLCARNITINE | ME644580 | NA | NA | NA | 2.09 | 2.17 | 2.14 | NA | 2.55 | 0.59 | NA | 0.01 | 0.03 | 0.67 | 0.54 | 0.00 | 1.54 | 0.63 | 0.54 | NA | NA | 0.60 | 0.50 |
| 3-HYDROXY-3-METHYLGLUTARATE | ME644246 | 0.30 | 0.19 | 0.41 | 3.21 | 3.84 | 2.92 | 1.19 | 0.82 | 0.58 | 0.52 | 1.10 | 0.96 | 0.33 | 0.52 | 0.40 | 0.43 | 0.42 | 0.71 | 0.33 | 0.28 | 0.63 | 0.40 |
| HOMOGENTISATE | ME644450 | 0.47 | 0.75 | 0.87 | 3.83 | 3.24 | 2.34 | 1.67 | NA | 0.07 | 0.25 | 2.17 | 1.29 | 0.07 | 0.37 | 0.44 | 0.41 | 0.18 | 0.36 | 0.24 | 0.29 | 0.45 | 0.26 |
| UREA | ME644641 | 0.63 | 0.96 | 0.87 | 2.00 | 4.44 | 3.55 | 0.29 | 0.38 | 0.78 | 0.29 | 0.79 | 0.55 | 1.70 | 0.35 | 0.28 | 0.53 | 0.73 | 0.62 | 0.56 | 0.23 | 0.36 | 0.44 |
| 3-METHOXY-L-TYROSINE | ME644249 | 0.35 | 0.32 | 0.37 | 3.26 | 3.70 | 3.00 | 0.22 | 0.27 | 0.72 | 0.60 | 0.29 | 0.23 | 0.98 | 0.67 | 0.19 | 0.35 | 0.67 | 0.48 | 0.21 | 0.39 | 0.81 | 0.77 |
| 5-HYDROXYPENTANOIC ACID | ME644276 | 0.89 | 0.88 | 1.12 | 3.39 | 3.86 | 3.33 | 0.39 | 0.45 | 0.68 | 0.86 | 0.39 | 0.46 | 0.71 | 0.75 | 0.35 | 0.40 | 0.61 | 0.54 | 0.33 | 0.31 | 0.57 | 0.52 |
| PRO-HYDROXY-PRO | ME644577 | 0.77 | 0.82 | 0.82 | 3.94 | 4.12 | 4.11 | 0.17 | 0.12 | 0.59 | 0.43 | 0.11 | 0.08 | 0.80 | 0.51 | 0.10 | 0.13 | 0.66 | 0.41 | 0.20 | 0.17 | 1.15 | 0.58 |
| KYNURENINE | ME644470 | 0.09 | 0.10 | 0.10 | 4.03 | 4.63 | 3.96 | 0.25 | 0.15 | 0.96 | 0.88 | 0.10 | 0.09 | 0.94 | 0.82 | 0.24 | 0.30 | 1.05 | 0.87 | 0.17 | 0.17 | 0.95 | 0.82 |
| SUCCINATE | ME644621 | 0.18 | 0.21 | 0.20 | 3.51 | 4.56 | 3.50 | 0.33 | 0.41 | 0.57 | 0.61 | 0.20 | 0.31 | 0.67 | 0.48 | 0.22 | 0.47 | 0.78 | 0.56 | 0.26 | 0.34 | 0.78 | 0.59 |
| 2-HYDROXYBUTYRIC ACID | ME644220 | 0.22 | 0.32 | 0.24 | 2.86 | 2.84 | 1.86 | 0.07 | 0.02 | 0.60 | 0.60 | 0.03 | 0.02 | 0.33 | 0.31 | NA | 1.07 | 0.37 | 0.31 | 0.12 | 0.02 | 0.61 | 0.43 |
| MEVALOLACTONE | ME644496 | 0.35 | 0.45 | 0.11 | 2.94 | 3.09 | 3.01 | NA | 0.38 | 0.07 | 0.58 | NA | 0.17 | 0.12 | 1.17 | 0.29 | NA | NA | 0.16 | 0.48 | 0.22 | 0.12 | 0.13 |
| ALLANTOATE | ME644297 | 0.44 | 0.37 | 0.46 | 3.43 | 3.35 | 3.27 | 0.05 | 0.11 | 0.35 | 0.19 | 0.16 | 0.26 | 0.37 | 0.16 | 0.08 | NA | 0.29 | 0.06 | NA | 0.04 | 0.22 | NA |
| GLUTARATE | ME644424 | 0.10 | NA | NA | 2.85 | 2.92 | 2.72 | 0.13 | 0.18 | 0.63 | 0.65 | NA | 0.28 | 0.48 | 0.35 | 0.10 | 0.15 | 0.71 | 0.63 | 0.31 | 0.18 | 0.71 | 0.56 |
| ORNITHINE | ME644545 | 0.26 | 0.11 | 0.15 | 2.95 | 3.05 | 2.85 | 0.13 | 0.12 | 0.44 | 0.25 | 0.14 | 0.13 | 0.53 | 0.29 | NA | NA | 0.46 | 0.46 | 0.03 | 0.11 | 0.38 | 0.89 |
| BOC-PRO-OH | ME644329 | 0.49 | 0.83 | 0.67 | 2.23 | 2.90 | 2.32 | 0.83 | 0.66 | 0.65 | NA | 0.51 | 0.95 | 0.78 | 0.07 | 0.75 | 0.68 | 0.20 | 0.25 | 0.43 | 0.52 | 0.30 | 0.28 |
| N-ACETYL-L-PHENYLALANINE | ME644516 | 0.52 | 0.49 | 0.22 | 2.15 | 3.19 | 1.63 | 0.62 | NA | NA | NA | 0.73 | 0.48 | 0.44 | 0.38 | 0.45 | 0.70 | 0.39 | 0.18 | NA | 0.33 | NA | NA |
| CITRATE | ME644341 | 0.16 | 0.12 | NA | 1.58 | 2.05 | 2.17 | 0.29 | 0.51 | NA | NA | 0.91 | 0.59 | NA | NA | 1.14 | NA | NA | NA | 0.55 | 0.31 | NA | NA |
| 2-QUINOLINECARBOXYLIC ACID | ME644227 | 0.17 | 0.18 | NA | 2.72 | 1.84 | 1.26 | NA | 0.25 | NA | NA | 0.31 | 0.37 | 0.72 | 0.60 | 0.61 | NA | 0.35 | 0.50 | 0.26 | NA | NA | 0.55 |
| DIMETHYLXANTHINE | ME644388 | NA | NA | NA | 1.41 | 1.70 | 1.70 | NA | NA | 0.30 | 0.18 | NA | NA | 0.28 | 0.31 | NA | NA | 1.05 | NA | NA | 0.46 | 0.23 | 0.98 |
| XANTHINE | ME644653 | NA | NA | NA | 1.53 | 2.39 | 1.96 | 0.12 | NA | 0.28 | 0.25 | NA | 0.18 | 0.43 | 0.26 | NA | NA | 0.51 | 0.31 | NA | NA | NA | 0.50 |
| OCTANOYLCARNITINE | ME644537 | NA | NA | NA | 2.10 | 2.29 | 2.19 | 0.33 | 0.61 | 0.37 | NA | NA | NA | 0.34 | 0.09 | NA | 0.48 | 0.17 | 0.46 | NA | 0.73 | 0.13 | 0.08 |
| CREATININE FROM COMPLEX | ME644349 | NA | NA | NA | 2.22 | 2.24 | 2.29 | 0.06 | 0.29 | 0.21 | 0.42 | 0.27 | NA | 0.22 | 0.10 | 0.32 | 0.15 | 0.29 | 0.09 | 0.30 | 0.20 | 0.33 | 0.18 |
| URATE | ME644640 | 0.03 | 0.06 | 0.10 | 2.46 | 2.38 | 2.47 | 0.07 | 0.03 | NA | 0.23 | 0.04 | 0.02 | NA | 0.24 | 0.03 | 0.03 | NA | 0.02 | 0.01 | 0.02 | NA | 0.06 |
| HOMOSTACHYDRINE | ME644452 | 1.82 | 1.38 | 1.72 | 3.04 | 2.93 | 2.90 | 0.47 | 0.25 | 0.66 | 0.51 | 0.40 | 0.34 | 0.70 | 0.48 | 0.51 | 0.60 | 0.73 | 0.51 | 0.34 | 0.29 | 0.72 | 0.53 |
| N6-(DELTA2-ISOPENTENYL)-ADENINE | ME644505 | 1.11 | 0.97 | 1.28 | 2.65 | 2.44 | 2.76 | 1.40 | 0.63 | 0.15 | 0.12 | 0.22 | 0.24 | 0.18 | 0.08 | 0.14 | 0.40 | 0.16 | 0.12 | NA | 0.05 | 0.96 | 0.11 |
| METHYLGLUTAROYLCARNITINE | ME644492 | 0.27 | 0.93 | 0.70 | 2.31 | 2.95 | 1.35 | 0.32 | 0.96 | 0.99 | NA | 1.78 | NA | 0.60 | NA | 0.06 | 0.82 | NA | 0.25 | 0.40 | 0.75 | NA | 0.96 |
| 2-DEOXY-D-GLUCOSE | ME644217 | 0.84 | 0.76 | 0.92 | 2.66 | 2.64 | 2.81 | 0.38 | 0.48 | 0.52 | 0.46 | 1.59 | 1.30 | 0.54 | 0.45 | 0.35 | 0.07 | 0.61 | 0.45 | 1.11 | 0.82 | 0.65 | 0.51 |
| 4-PYRIDOXATE | ME644264 | NA | 1.44 | 1.54 | 2.65 | 2.53 | 2.33 | NA | 0.92 | 0.47 | 0.35 | 1.06 | NA | 0.52 | 0.35 | 0.42 | NA | 0.41 | 0.37 | 0.80 | 1.09 | 0.53 | 0.39 |
| SPHINGOSINE | ME644614 | 0.08 | 0.25 | 0.14 | NA | NA | 1.35 | NA | NA | 1.69 | 0.25 | 0.36 | 0.14 | 1.53 | NA | 0.28 | NA | 3.23 | 1.43 | 0.65 | 0.14 | NA | 2.39 |
| SPERMINE | ME644612 | 0.07 | 0.05 | 0.04 | NA | NA | NA | 0.01 | 0.02 | 0.85 | 1.90 | 0.05 | 0.03 | 0.94 | 2.30 | NA | 0.01 | 0.90 | 2.29 | 0.01 | NA | 1.06 | 2.00 |
| 4-AMINOBENZOATE | ME644255 | 0.48 | 0.25 | 0.38 | 0.11 | 0.11 | 0.10 | 0.09 | 0.10 | 1.76 | 1.68 | 0.11 | 0.13 | 1.76 | 1.73 | 0.06 | 0.08 | 2.66 | 2.56 | 0.12 | 0.15 | 2.58 | 2.23 |
| HEXOSE | ME644443 | 0.26 | 0.31 | 0.14 | 0.01 | 0.01 | 0.02 | 0.14 | 0.15 | 1.81 | 2.42 | 0.28 | 0.19 | 1.50 | 2.79 | 0.05 | 0.06 | 3.12 | 2.26 | 0.04 | 0.04 | 2.77 | 2.83 |
| RAFFINOSE | ME644592 | 0.83 | 0.75 | 0.64 | 0.68 | 3.52 | 0.69 | 0.54 | 1.26 | 0.71 | 0.74 | 2.29 | 1.50 | 0.80 | 0.71 | 0.63 | 0.25 | 0.84 | 0.88 | 0.82 | 0.74 | 0.89 | 0.87 |
| INDOLE-3-ACETAMIDE | ME644457 | NA | 0.72 | NA | NA | 1.98 | 0.70 | 0.74 | NA | 0.39 | 1.09 | 1.36 | 1.62 | 0.44 | 0.49 | 1.02 | NA | 0.52 | 1.12 | 0.37 | 0.52 | 2.12 | 2.85 |
| THIOUREA | ME644627 | 0.65 | 0.97 | 0.66 | NA | 2.15 | NA | 0.70 | 0.64 | 0.45 | 1.75 | NA | 0.92 | 0.55 | 1.05 | 0.49 | 0.38 | 0.96 | 2.47 | 0.44 | NA | 1.24 | 1.05 |
| DIETHYL AMINOMALONATE | ME644377 | 0.54 | 0.30 | 0.59 | NA | 0.78 | 1.02 | NA | NA | 0.65 | NA | NA | NA | 1.02 | 2.09 | NA | 1.53 | NA | 1.10 | NA | NA | 0.61 | 2.11 |
| N-AMIDINO-L-ASPARTATE | ME644521 | 1.85 | 0.51 | NA | NA | NA | NA | NA | NA | 0.65 | 0.74 | NA | 1.57 | 0.87 | 1.50 | 0.47 | NA | 1.18 | NA | NA | NA | 0.51 | 0.66 |
| SEROTONIN | ME644607 | 0.42 | 0.41 | 0.23 | NA | NA | NA | NA | 0.36 | 2.06 | 0.91 | NA | NA | 1.11 | 0.56 | NA | NA | 1.69 | 0.56 | NA | 0.27 | 1.08 | NA |
| AMINOBUTANOIC ACID | ME644303 | 0.35 | NA | 0.44 | NA | NA | NA | 0.41 | 0.58 | 1.69 | 1.43 | 0.71 | NA | NA | 1.44 | 1.25 | NA | 0.98 | 1.54 | 1.08 | NA | NA | 1.17 |
| 3,4-DIHYDROXY-L-PHENYLALANINE | ME644234 | NA | NA | NA | 0.64 | NA | NA | NA | 1.01 | 1.00 | 0.80 | 0.80 | 1.09 | 1.13 | 1.21 | 1.00 | NA | 1.36 | 0.80 | NA | 1.02 | 0.69 | 1.40 |
| SACCHAROPINE | ME644601 | 0.57 | NA | NA | 0.81 | NA | NA | 0.55 | 0.90 | 1.39 | 1.02 | 0.47 | 0.76 | 1.28 | 1.16 | 0.72 | 0.41 | 1.45 | 1.48 | 0.47 | 0.54 | NA | 1.77 |
| 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | ME644193 | NA | NA | NA | NA | NA | NA | 0.73 | NA | 1.34 | 0.89 | NA | NA | 0.72 | 1.35 | 1.14 | 0.17 | 0.98 | 1.19 | NA | 0.05 | 1.32 | 1.08 |
| HISTIDINE | ME644446 | NA | NA | NA | NA | NA | NA | NA | NA | 0.99 | 1.00 | 1.01 | 0.89 | 1.04 | 0.72 | 0.36 | 0.87 | 1.15 | 1.00 | NA | 0.55 | 1.42 | 1.07 |
| 4-COUMARATE | ME644257 | 1.15 | 1.11 | 1.04 | 0.94 | NA | NA | 0.76 | NA | 0.67 | 0.88 | 0.77 | 1.02 | 0.76 | 1.31 | NA | NA | 0.75 | 1.13 | NA | 0.92 | 1.45 | 1.18 |
| N-NITROSODIETHANOLAMINE | ME644534 | 0.92 | 0.54 | 0.81 | NA | NA | 0.89 | 0.62 | 0.70 | 0.64 | 1.15 | 0.79 | 0.48 | 0.97 | 0.72 | NA | NA | 1.07 | 2.13 | 0.92 | 1.29 | 0.92 | 1.83 |
| CYSTINE | ME644356 | 0.14 | 0.12 | 0.08 | 0.06 | 0.05 | 0.04 | 0.81 | 1.30 | 1.07 | 1.18 | 1.35 | 1.17 | 1.84 | 1.57 | 0.14 | 0.13 | 2.37 | 1.69 | 1.31 | 0.72 | 1.95 | 1.86 |
| 1-METHYLADENOSINE | ME644199 | 1.08 | 0.93 | 0.96 | NA | NA | NA | 0.98 | 0.95 | 1.37 | 1.82 | 0.38 | 0.57 | 1.45 | 0.93 | 0.11 | 0.26 | 1.55 | 0.86 | 0.29 | 0.21 | 1.76 | 1.40 |
| 2`-DEOXYADENOSINE 5`-DIPHOSPHATE | ME644206 | 0.72 | 0.67 | 1.07 | 0.06 | NA | 0.11 | 1.00 | 0.86 | 1.82 | 1.56 | 0.85 | 1.11 | 0.91 | 1.01 | 0.77 | 0.35 | 2.41 | 1.35 | 0.76 | 0.51 | 1.69 | 1.23 |
| N,N,N-TRIMETHYLLYSINE | ME644500 | 0.30 | NA | 0.32 | 2.49 | 1.33 | 1.25 | NA | 0.72 | 0.49 | 0.24 | NA | 0.87 | 0.41 | 0.44 | 0.38 | 0.30 | 3.22 | 1.17 | 0.45 | 0.38 | 1.01 | 0.30 |
| BISPHOSPHOGLYCERATE | ME644321 | NA | NA | NA | 1.76 | 0.73 | 1.92 | NA | NA | 0.86 | 0.19 | NA | NA | 0.22 | 0.25 | NA | 0.26 | 0.64 | 0.55 | NA | NA | 0.63 | 1.86 |
| N-METHYLTYRAMINE | ME644533 | NA | 0.43 | NA | 1.95 | 0.83 | 1.83 | NA | NA | 2.22 | NA | NA | NA | NA | 0.24 | NA | 0.60 | 0.71 | NA | 0.31 | 0.29 | NA | 0.19 |
| 3,3^-DITHIODIVALINE | ME644232 | 0.02 | NA | 0.05 | 2.22 | 0.97 | 3.78 | NA | 0.18 | 0.69 | 0.81 | NA | 0.43 | 0.62 | 0.57 | 0.10 | 0.06 | 0.92 | 0.85 | 0.18 | 0.25 | 1.20 | 0.75 |
| OLEAMIDE | ME644539 | 0.08 | 0.04 | 0.04 | 2.32 | 2.54 | 3.45 | 0.24 | 0.16 | 0.98 | 1.34 | 0.16 | 0.17 | 1.58 | 2.00 | 0.09 | 0.24 | 1.39 | 1.60 | 0.04 | 0.08 | 1.91 | 1.11 |
| 2-HYDROXYPHENYLACETIC ACID | ME644221 | NA | 1.46 | NA | 1.07 | 1.23 | 0.94 | 0.60 | 0.58 | 1.00 | 1.06 | NA | NA | 1.02 | 1.00 | 0.52 | 0.32 | 1.21 | 1.32 | 0.84 | 0.66 | 0.96 | 1.07 |
| N-ETHYLMALEIMIDE | ME644525 | NA | 0.91 | NA | 1.03 | 1.39 | 1.10 | 1.13 | 0.65 | 1.10 | 1.48 | 0.49 | 0.11 | 1.00 | 1.02 | 1.09 | 0.41 | 0.81 | 0.80 | 1.02 | NA | 1.32 | 1.13 |
| N-ACETYL-D-GALACTOSAMINE | ME644507 | 0.63 | 0.54 | 0.28 | 0.26 | NA | 1.62 | NA | 0.10 | 1.23 | 1.04 | NA | NA | 0.88 | 1.37 | NA | 0.12 | 1.21 | 1.25 | NA | 0.22 | 0.98 | 1.45 |
| DIMETHYL MALEATE | ME644384 | 0.15 | 0.25 | 0.67 | 1.71 | 2.21 | 1.72 | 0.17 | 0.17 | 0.32 | 1.03 | 0.16 | 0.17 | 0.74 | 0.67 | 0.07 | 0.14 | 1.14 | 1.25 | 0.11 | 0.04 | 1.30 | 1.40 |
| RIBOFLAVIN | ME644596 | 0.52 | 0.40 | 0.13 | 1.65 | 1.68 | 1.71 | 0.69 | 0.42 | 1.01 | 0.95 | NA | 0.17 | 0.76 | 0.87 | 0.16 | 0.12 | 0.92 | 0.92 | NA | NA | 1.10 | 1.02 |
| CAFFEINE | ME644333 | NA | NA | NA | 1.66 | 1.56 | 1.52 | NA | NA | 1.02 | 0.90 | NA | NA | 1.02 | 1.00 | NA | NA | 0.78 | 0.83 | NA | NA | 0.71 | 0.70 |
| GUANOSINE 5^-DIPHOSPHATE | ME644440 | NA | NA | NA | 1.62 | 1.43 | 1.80 | NA | NA | 0.83 | 0.79 | NA | NA | 0.88 | 0.67 | NA | 0.45 | 0.84 | 0.78 | NA | NA | 0.86 | 0.74 |
| INDOLE-3-ACETIC ACID | ME644458 | NA | NA | NA | NA | 1.58 | NA | NA | NA | 1.02 | 1.11 | NA | NA | 0.85 | 0.89 | NA | 0.04 | 1.16 | 1.22 | 0.03 | 0.07 | 1.17 | 1.33 |
| PANTOLACTONE | ME644553 | NA | NA | NA | 1.08 | 1.27 | 0.97 | NA | NA | 0.96 | 1.03 | NA | NA | 0.84 | 0.57 | 0.88 | NA | 1.17 | 1.27 | NA | NA | 0.80 | 1.03 |
| INOSINE 5^-DIPHOSPHATE | ME644463 | NA | 0.34 | NA | 1.26 | 0.95 | 0.88 | 0.70 | NA | 1.08 | 0.92 | 0.95 | NA | 1.08 | 0.97 | NA | NA | 1.03 | 1.03 | NA | NA | 1.18 | 0.96 |
| DIHYDROFOLATE | ME644379 | 0.88 | 0.47 | 0.33 | 0.94 | 0.94 | 0.89 | 0.19 | 0.07 | 1.19 | 1.28 | 0.33 | 0.22 | 1.28 | 1.26 | 0.09 | 0.17 | 1.55 | 1.52 | NA | 0.18 | 1.26 | 1.32 |
| VITAMIN D3 | ME644652 | NA | NA | NA | 0.93 | 0.77 | 0.61 | 0.01 | NA | 1.17 | 0.90 | NA | NA | 1.30 | 0.76 | NA | 0.06 | 1.33 | 1.18 | NA | 0.01 | 1.58 | 1.28 |
| ROSMARINIC ACID | ME644600 | NA | NA | NA | 1.02 | 0.77 | 1.01 | NA | NA | 1.18 | 1.19 | NA | NA | 0.82 | 1.13 | NA | NA | 1.09 | 1.10 | 0.01 | 0.00 | 1.07 | 1.07 |
| ADENOSINE DIPHOSPHATE | ME644292 | 0.07 | 0.14 | 0.09 | 1.12 | 0.98 | 0.95 | 0.04 | 0.08 | 1.10 | 1.30 | 0.04 | NA | 1.37 | 1.25 | NA | NA | 1.20 | 1.27 | NA | NA | 1.27 | 1.28 |
| FOLIC ACID | ME644408 | NA | NA | NA | 0.78 | 0.91 | 0.77 | NA | 0.00 | 1.09 | 1.14 | 0.01 | NA | 1.17 | 1.13 | 0.01 | 0.01 | 1.14 | 1.16 | NA | 0.01 | 1.21 | 1.24 |
| PHENYLHYDRAZINE | ME644566 | NA | 0.21 | 0.59 | 1.27 | 1.26 | 0.92 | 0.48 | 0.64 | 0.72 | 1.20 | NA | 0.69 | 1.27 | 1.03 | 0.47 | 0.52 | 1.12 | 1.46 | 0.73 | 0.44 | 1.02 | 1.22 |
| CAPECITABINE | ME644334 | NA | NA | 0.69 | 1.29 | 1.00 | 0.98 | NA | 0.44 | 1.02 | 1.09 | 0.91 | NA | 0.95 | 1.12 | NA | 0.52 | 1.13 | 1.18 | 0.71 | 0.35 | 1.05 | 1.18 |
| N,N-DIMETHYL-1,4-PHENYLENEDIAMINE | ME644501 | NA | NA | NA | 0.92 | 1.48 | 0.55 | NA | 0.33 | 1.23 | 1.15 | 0.65 | 0.30 | 1.11 | 1.06 | NA | NA | 1.56 | 0.82 | 0.84 | 0.29 | 1.05 | 0.98 |
| LUMICHROME | ME644480 | 0.34 | 0.25 | 0.31 | 0.91 | 1.07 | 0.96 | 0.37 | 0.42 | 1.25 | 1.24 | 0.30 | 0.79 | 1.31 | 1.26 | 0.97 | 0.92 | 1.16 | 1.18 | 0.33 | 0.82 | 2.95 | 1.12 |
| FLAVIN ADENINE DINUCLEOTIDE | ME644407 | 0.95 | 0.34 | 1.00 | 1.58 | 1.64 | 1.43 | 0.82 | 0.42 | 1.60 | 1.54 | NA | 0.34 | 1.15 | 1.26 | 0.20 | 0.27 | 1.60 | 1.84 | NA | 0.48 | 0.95 | 1.01 |
| RETINAL | ME644593 | 0.17 | 0.23 | 0.09 | 1.15 | 1.51 | 1.26 | 0.44 | 0.46 | 1.82 | 1.85 | 0.27 | 0.28 | 1.59 | 1.34 | 1.49 | 0.71 | 1.80 | 1.72 | 0.19 | 0.28 | 1.79 | 1.71 |
| RETINOL | ME644595 | 0.35 | 0.15 | 0.25 | 1.61 | 1.71 | 1.47 | 0.38 | 0.38 | 1.31 | 1.91 | 0.09 | 0.33 | 1.67 | 1.63 | 1.29 | 0.51 | 1.85 | 1.97 | 0.16 | 0.22 | 1.37 | 1.51 |
| TRYPTOPHAN | ME644637 | 0.23 | 0.31 | 0.22 | 1.21 | 1.23 | 1.27 | 0.93 | 0.60 | 1.43 | 1.48 | 0.79 | 0.75 | 1.59 | 1.59 | 0.65 | 0.73 | 1.55 | 1.48 | 0.50 | 0.52 | 1.27 | 1.61 |
| BIOTIN | ME644319 | 0.44 | 0.45 | 0.40 | 1.52 | 1.54 | 1.46 | 0.38 | 0.41 | 1.47 | 1.50 | 0.55 | 0.38 | 1.50 | 1.38 | 0.72 | 0.37 | 1.44 | 1.51 | 0.43 | 0.38 | 1.50 | 1.57 |
| LEUCINE | ME644474 | 0.25 | 0.20 | 0.26 | 1.29 | 1.29 | 1.35 | 0.54 | 0.38 | 1.63 | 1.66 | 0.65 | 0.39 | 1.71 | 1.68 | 0.39 | 0.53 | 1.68 | 1.70 | 0.35 | 0.30 | 1.69 | 1.70 |
| DIHEXOSE | ME644378 | 0.43 | 0.37 | 0.55 | 1.46 | 2.26 | 1.39 | 0.42 | 0.38 | 1.44 | 1.38 | 0.76 | 0.35 | 1.43 | 1.43 | 0.29 | 0.34 | 1.47 | 1.52 | 0.51 | 0.33 | 1.21 | 1.55 |
| ERYTHRITOL | ME644398 | 0.47 | 0.49 | 0.38 | 1.97 | 2.15 | 1.47 | 0.42 | 0.37 | 1.21 | 1.57 | 0.45 | 0.59 | 1.33 | 0.93 | 0.16 | 0.31 | 1.46 | 1.34 | 0.28 | 0.26 | 1.44 | 2.01 |
| AMINOHEXANOIC ACID | ME644304 | 0.09 | 0.16 | 0.05 | 1.16 | 1.56 | 1.39 | 0.36 | 0.11 | 2.42 | 1.62 | 0.68 | 0.58 | 1.58 | 2.54 | 0.23 | 0.57 | 1.98 | 1.36 | 0.17 | 0.15 | 1.87 | 1.29 |
| PYRIDOXINE | ME644589 | 0.00 | 0.00 | 0.00 | 1.56 | 1.63 | 1.51 | 0.12 | 0.13 | 1.88 | 1.88 | 0.19 | 0.18 | 1.96 | 1.89 | 0.12 | 0.08 | 1.88 | 1.84 | 0.05 | 0.07 | 1.54 | 1.79 |
| GLUTAROYL CARNITINE | ME644425 | 0.03 | 0.03 | 0.02 | 0.71 | 0.72 | 0.61 | 0.03 | 0.02 | 1.67 | 1.61 | NA | 0.08 | 1.94 | 2.14 | 0.02 | 0.02 | 1.99 | 1.76 | 0.02 | 0.02 | 2.13 | 2.07 |
| INDOLEPYRUVATE | ME644460 | 0.09 | 0.09 | 0.10 | 1.22 | 1.15 | 1.33 | 0.21 | 0.10 | 1.92 | 2.03 | 0.26 | 0.15 | 2.20 | 2.09 | 0.10 | 0.08 | 2.10 | 2.04 | 0.11 | 0.08 | 2.10 | 2.17 |
| METHIONYLALANINE | ME644486 | 0.08 | 0.06 | 0.07 | 1.00 | 1.11 | 0.98 | 0.10 | 0.08 | 1.75 | 2.03 | 0.10 | 0.09 | 1.77 | 1.82 | 0.05 | 0.12 | 2.36 | 2.35 | 0.05 | 0.06 | 2.27 | 2.28 |
| 4-AMINOBENZOYLGLUTAMIC ACID | ME644256 | 1.53 | 1.69 | 1.51 | 1.72 | 1.86 | 1.64 | 0.58 | 0.81 | 1.01 | 0.97 | 0.32 | 0.30 | 1.00 | 0.96 | 0.37 | 0.48 | 1.10 | 1.10 | 0.43 | 0.38 | 1.10 | 1.10 |
| HOMOCYSTEINE | ME644448 | 2.13 | 1.85 | 2.24 | 1.99 | 1.79 | 1.91 | 0.39 | 0.31 | 1.13 | 0.84 | 0.05 | 0.03 | 1.05 | 0.78 | 0.23 | 0.44 | 1.30 | 0.84 | 0.15 | 0.13 | 1.16 | 1.05 |
| 5-METHYLCYTOSINE | ME644277 | 0.39 | NA | 0.28 | 2.27 | 2.52 | 2.00 | 0.17 | NA | 1.64 | 0.65 | 0.17 | 0.21 | NA | 0.69 | 0.50 | 0.12 | 1.40 | 1.40 | 0.30 | 0.22 | 0.72 | 1.64 |
| PUTRESCINE | ME644584 | 0.14 | 0.42 | 0.22 | 2.67 | 2.80 | 1.90 | 0.59 | 0.51 | 1.17 | 1.01 | 0.13 | 0.19 | 0.41 | 0.19 | 0.64 | 0.85 | 1.99 | 0.58 | 0.36 | 0.24 | 0.43 | NA |
| PIPECOLIC ACID | ME644570 | 0.62 | 0.50 | 0.62 | 1.95 | 1.70 | 2.34 | 0.66 | 0.32 | 0.87 | 1.85 | 0.57 | 0.51 | 0.72 | 0.72 | 0.03 | 0.51 | 0.58 | 2.15 | 0.53 | 0.77 | 0.62 | 0.53 |
| 2-HYDROXYPYRIDINE | ME644222 | 0.72 | 0.50 | 0.20 | 1.25 | 2.93 | 1.59 | 0.81 | 0.94 | 1.39 | 1.23 | 0.64 | 0.72 | 1.13 | 0.92 | 0.54 | 0.46 | 1.28 | 1.01 | 0.39 | 0.46 | 1.18 | 1.04 |
| HIPPURATE | ME644444 | 0.07 | 0.07 | 0.09 | 2.64 | 2.76 | 1.81 | 1.25 | 0.68 | 1.30 | 1.30 | 1.07 | 0.89 | 1.33 | 1.23 | 0.23 | 0.37 | 0.87 | 0.88 | 0.59 | 0.49 | 0.94 | 1.11 |
| C-GLYCOSYLTRYPTOPHAN | ME644336 | 0.78 | 0.90 | 0.74 | 1.64 | 1.95 | 1.65 | 0.51 | 0.42 | 0.79 | 0.59 | 0.78 | 0.87 | 0.73 | 1.25 | 0.20 | 0.33 | 1.17 | 0.85 | NA | 0.24 | 1.95 | 1.06 |
| LINOLEOYLGLYCEROPHOSPHOCHOLINE (??) | ME644477 | 0.66 | 0.68 | 0.53 | 2.51 | 1.43 | 1.77 | 0.97 | 0.78 | 1.17 | 1.13 | 0.77 | 0.76 | 0.89 | 1.13 | 1.23 | 0.67 | 0.91 | 1.03 | 0.74 | 0.71 | 0.90 | 0.62 |
| THYROXINE | ME644631 | 0.69 | 0.77 | 1.10 | 2.86 | 1.82 | 1.86 | 0.46 | 0.76 | 0.82 | 0.65 | 0.89 | 0.42 | 0.57 | 0.60 | 0.71 | 0.67 | 0.74 | 0.75 | 0.62 | 0.58 | 0.69 | 0.66 |
| 5-VALEROLACTONE | ME644279 | 0.45 | 0.51 | 0.40 | 2.38 | 2.44 | 2.24 | 0.44 | 0.42 | 1.01 | 1.32 | 0.37 | 0.56 | 0.80 | 0.55 | 0.81 | 0.55 | 0.98 | 0.32 | 0.62 | 0.48 | 1.27 | 0.22 |
| VALINE | ME644649 | 0.76 | 0.80 | 0.74 | 2.84 | 2.44 | 2.90 | 0.46 | 0.32 | 1.11 | 0.99 | 0.64 | 0.38 | 1.10 | 0.91 | 0.53 | 0.34 | 1.13 | 0.86 | 0.38 | 0.25 | 1.16 | 0.90 |
| GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE | ME644438 | NA | NA | 3.91 | 0.57 | 0.99 | 0.52 | 0.36 | NA | 0.69 | 0.66 | NA | NA | 0.70 | 1.11 | 1.14 | NA | 1.24 | 0.91 | 0.36 | 1.39 | 1.07 | 1.03 |
| INDOLE-3-ETHANOL | ME644459 | 1.68 | 1.09 | 2.41 | 0.44 | 0.41 | 0.46 | NA | NA | NA | 0.42 | NA | NA | NA | 0.32 | 0.99 | NA | 0.28 | NA | NA | NA | 3.11 | 0.31 |
| 3-PHOSPHOGLYCERIC ACID | ME644252 | 0.63 | 0.20 | 0.31 | NA | 0.39 | 0.12 | 1.02 | 1.05 | NA | 1.94 | 0.74 | 0.35 | NA | NA | 1.40 | NA | NA | 2.12 | 1.75 | 1.39 | 2.01 | 1.07 |
| 3-UREIDOPROPIONIC ACID | ME644253 | NA | NA | 0.62 | 0.38 | NA | 0.04 | 0.88 | 0.64 | 0.64 | 0.56 | 0.68 | 0.74 | 0.63 | 0.68 | NA | 1.07 | 0.82 | 0.64 | 1.14 | 0.84 | 4.92 | 0.55 |
| TIGLYL CARNITINE | ME644632 | 0.78 | 0.39 | 0.66 | 1.26 | NA | 0.70 | 1.30 | 1.14 | 0.78 | 0.74 | 1.19 | 1.05 | 0.83 | 0.42 | 0.56 | 1.15 | 0.82 | 0.82 | 0.42 | 1.02 | 4.63 | 0.99 |
| 5`-METHYLTHIOADENOSINE | ME644266 | 0.13 | 0.08 | 0.15 | 0.01 | 0.01 | 0.01 | 0.14 | 0.17 | 0.08 | 0.15 | 0.70 | 0.68 | 0.46 | 0.32 | 2.55 | 5.13 | 1.84 | 2.70 | 1.42 | 1.50 | 1.05 | 0.96 |
| ASCORBATE | ME644312 | NA | 0.10 | 0.20 | NA | NA | 1.86 | NA | NA | NA | NA | 0.42 | 0.24 | NA | 0.59 | 1.73 | 1.81 | 0.38 | 0.21 | 0.39 | NA | NA | NA |
| CYSTAMINE | ME644354 | NA | 1.06 | NA | 0.94 | 1.15 | 0.90 | NA | NA | NA | 1.18 | 2.30 | NA | 0.58 | 0.78 | 2.61 | 3.47 | 0.31 | 0.70 | NA | NA | 0.54 | 0.51 |
| GAMMA-BUTYROLACTONE | ME644411 | 0.60 | 0.60 | 0.46 | 0.67 | 0.78 | 0.70 | 2.19 | 1.63 | 0.18 | 0.11 | 1.86 | 1.32 | 0.17 | NA | 1.07 | 3.22 | 0.19 | 0.13 | 0.67 | 0.80 | 0.14 | 0.02 |
| N-ACETYLPUTRESCINE | ME644518 | 0.04 | 0.02 | 0.04 | 0.28 | 0.40 | 0.26 | 3.13 | 3.04 | 0.21 | 0.20 | 1.30 | 1.33 | 0.07 | 0.03 | 1.77 | 4.67 | 0.82 | 0.80 | 0.61 | 0.38 | 0.06 | NA |
| NICOTINAMIDE MONONUCLEOTIDE | ME644529 | 0.03 | 0.04 | 0.02 | 0.07 | 0.09 | 0.07 | 0.87 | 1.65 | 0.01 | 0.01 | 0.52 | 0.46 | 0.01 | 0.01 | 1.42 | 4.80 | 0.01 | 0.01 | 2.87 | 2.19 | NA | 0.01 |
| OLEOYLCARNITINE | ME644540 | 0.21 | 0.33 | 0.28 | 0.10 | NA | NA | 0.27 | 0.19 | 0.11 | NA | 1.08 | 1.34 | NA | 0.02 | 2.40 | 4.92 | NA | NA | 0.09 | 0.11 | NA | NA |
| OPHTHALMIC ACID | ME644544 | NA | NA | 0.26 | 0.49 | 0.53 | 0.51 | 0.25 | 0.23 | 0.09 | NA | 1.19 | 0.64 | NA | 0.17 | 1.44 | 4.59 | NA | 0.12 | 0.29 | 0.25 | 0.04 | 0.04 |
| 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE | ME644209 | 0.43 | 1.04 | 0.37 | 0.00 | NA | 0.00 | 0.50 | 0.44 | NA | NA | 0.98 | 1.10 | NA | NA | 1.73 | 3.85 | NA | NA | 1.42 | 2.21 | NA | 0.00 |
| 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANOSYL 5`-MONOPHOSPHATE | ME644269 | 0.92 | 0.51 | 0.59 | 0.36 | NA | 0.14 | 0.69 | 0.41 | NA | NA | 0.43 | 2.05 | 0.12 | NA | 0.63 | 3.28 | NA | 0.12 | 0.46 | 1.09 | NA | NA |
| 5-HYDROXYLYSINE | ME644274 | 2.27 | 2.25 | 2.00 | 0.19 | 0.22 | 0.14 | 1.62 | 1.83 | 0.18 | 0.06 | 0.08 | 0.08 | 0.06 | NA | 1.69 | 1.79 | 0.25 | 0.09 | 1.32 | 1.03 | 0.11 | 0.10 |
| O-ACETYL-L-CARNITINE | ME644536 | 2.08 | 1.89 | 2.06 | 0.79 | 0.86 | 0.80 | 3.34 | 2.49 | 0.09 | 0.07 | 0.26 | 0.23 | 0.07 | 0.05 | 1.61 | 2.47 | 0.10 | 0.06 | 1.08 | 1.37 | 0.09 | 0.07 |
| ANTHRANILATE | ME644309 | 2.86 | 1.72 | 3.59 | 0.18 | 0.21 | 0.16 | 0.55 | 0.95 | 0.15 | 0.11 | 1.85 | 1.75 | 0.16 | 0.10 | 1.96 | 1.88 | 0.22 | 0.19 | 1.95 | 1.77 | 0.24 | 0.29 |
| GUANINE | ME644436 | 3.30 | 3.37 | 3.82 | 0.08 | 0.07 | 0.09 | 1.41 | 1.77 | 0.13 | 0.13 | 1.21 | 1.13 | 0.13 | 0.14 | 1.15 | 0.83 | 0.15 | 0.14 | 1.75 | 0.98 | 0.12 | 0.14 |
| SHIKIMATE | ME644609 | 2.82 | 3.05 | 2.77 | 0.10 | 0.09 | 0.05 | 0.71 | 1.29 | 0.09 | 0.08 | 0.68 | 0.56 | 0.08 | 0.08 | 1.91 | 0.79 | 0.11 | 0.08 | 1.89 | 1.01 | 0.06 | 0.12 |
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL | ME644260 | 2.33 | 1.30 | 2.13 | 1.16 | 1.14 | 1.02 | 1.02 | NA | 0.40 | 0.52 | 2.06 | 1.37 | 0.38 | 0.41 | 2.11 | NA | 0.20 | NA | 0.71 | 0.59 | 0.69 | 0.50 |
| PALMITOYLGLYCEROPHOSPHOCHOLINE | ME644552 | 1.24 | 2.35 | 1.60 | 0.09 | 0.05 | 0.06 | 1.79 | 1.50 | 0.19 | 0.04 | 2.78 | 2.95 | 0.02 | 0.12 | 0.41 | 0.39 | 0.05 | 0.03 | 0.90 | 1.46 | 0.36 | 0.05 |
| PENTOPYRANOSE | ME644561 | NA | 2.03 | 1.65 | NA | NA | NA | 1.20 | 1.53 | NA | NA | 2.23 | 2.08 | 0.02 | 0.01 | 0.14 | 0.25 | NA | 0.02 | 0.35 | 0.66 | 0.05 | 0.02 |
| OLEOYLGLYCEROPHOSPHOCHOLINE | ME644541 | 3.98 | 2.69 | 3.71 | 0.05 | 0.05 | 0.06 | 1.68 | 2.15 | 0.05 | 0.03 | 2.53 | 2.49 | 0.05 | 0.06 | 0.41 | 0.26 | 0.04 | 0.03 | 0.61 | 0.94 | 0.09 | 0.04 |
| MYRISTOYLGLYCEROPHOSPHOCHOLINE | ME644499 | 2.72 | 1.47 | 2.58 | 0.09 | 0.09 | 0.04 | 1.73 | 1.46 | 0.05 | 0.06 | 2.99 | 3.23 | 0.05 | 0.05 | 0.22 | 0.20 | 0.04 | 0.05 | 0.80 | 1.35 | 0.07 | 0.03 |
| ARACHIDONOYLGLYCEROPHOSPHOCHOLINE | ME644310 | 3.01 | 2.48 | 2.54 | 0.06 | 0.04 | 0.07 | 2.07 | 1.94 | 0.10 | 0.03 | 1.51 | 1.70 | 0.07 | 0.11 | 0.84 | 0.57 | 0.03 | 0.02 | 0.70 | 1.19 | 0.05 | 0.03 |
| EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE | ME644395 | 2.90 | 2.24 | 2.18 | 0.05 | 0.04 | 0.05 | 1.34 | 1.15 | 0.03 | 0.02 | 2.19 | 2.38 | 0.03 | 0.09 | 0.45 | 0.44 | 0.04 | 0.01 | 0.41 | 1.09 | 0.02 | 0.01 |
| STEAROYLGLYCEROPHOSPHOCHOLINE | ME644619 | 2.93 | 2.24 | 2.21 | 0.07 | 0.06 | 0.06 | 1.35 | 1.14 | 0.04 | 0.03 | 2.19 | 2.40 | 0.06 | 0.11 | 0.45 | 0.44 | 0.04 | NA | 0.41 | 1.09 | 0.05 | 0.02 |
| 17ALPHA-HYDROXYPROGESTERONE | ME644198 | 2.25 | 1.09 | 0.34 | 0.19 | NA | NA | 0.89 | 1.14 | NA | 0.16 | 1.34 | 1.50 | 0.06 | 0.67 | 1.40 | 1.11 | NA | 0.37 | 1.34 | NA | 0.15 | 0.40 |
| SUBERIC ACID | ME644620 | 2.35 | 1.63 | NA | NA | NA | 1.00 | 2.01 | 1.51 | 0.04 | NA | 1.44 | 1.36 | 0.05 | 1.88 | 1.63 | 1.42 | 0.02 | 0.03 | 2.02 | NA | NA | 0.01 |
| INOSINE 5^-MONOPHOSPHATE | ME644464 | 3.00 | 3.30 | 2.18 | NA | NA | NA | NA | NA | 0.01 | 0.01 | NA | NA | 0.01 | 0.03 | NA | NA | 0.04 | 0.01 | NA | NA | 0.06 | 0.03 |
| 3,5-DIIODO-L-THYRONINE | ME644237 | 2.16 | 1.33 | 1.91 | NA | 0.43 | NA | NA | NA | NA | 0.69 | NA | NA | 0.38 | NA | 1.12 | 1.01 | 0.43 | 0.32 | NA | NA | 0.28 | NA |
| CYS-GLY, OXIDIZED | ME644353 | 1.78 | 2.06 | 1.80 | NA | NA | NA | 0.30 | 0.36 | NA | NA | 0.40 | 0.56 | NA | 0.25 | 0.27 | 0.31 | NA | 0.11 | NA | 0.29 | 0.26 | NA |
| N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE | ME644503 | 2.03 | 1.59 | 1.94 | 0.09 | NA | NA | 0.12 | 0.14 | 0.03 | NA | NA | NA | NA | 0.06 | 0.12 | NA | 0.11 | 0.05 | NA | NA | NA | NA |
| 3,4-DIHYDROXYPHENYLACETATE | ME644236 | 2.30 | 1.21 | 2.09 | 0.60 | 0.65 | NA | 0.55 | 0.90 | 0.40 | 1.23 | 0.71 | NA | NA | 1.19 | 0.80 | 0.27 | 0.65 | 0.51 | 1.18 | 0.80 | 0.87 | 0.64 |
| DEOXYRIBOSE | ME644368 | 1.64 | 1.88 | 2.18 | 0.03 | 0.05 | 0.07 | 0.47 | 1.46 | 0.22 | 0.47 | 0.54 | 0.19 | NA | 0.49 | 0.34 | 0.10 | 0.10 | 0.66 | 2.40 | 0.80 | NA | NA |
| DIOLEOYLPHOSPHATIDYLCHOLINE | ME644389 | 1.67 | 3.00 | 0.67 | 0.15 | 0.01 | 0.01 | 1.22 | 0.78 | 0.01 | 0.01 | 2.53 | 0.91 | 0.00 | NA | 1.16 | 0.37 | 0.01 | 0.00 | 0.62 | 1.35 | 0.00 | 0.00 |
| PHENYLACETIC ACID | ME644563 | 1.01 | 3.15 | 1.37 | 0.37 | NA | NA | 1.02 | 0.76 | NA | NA | 1.17 | 0.92 | NA | NA | NA | 0.60 | NA | NA | 0.86 | 0.30 | NA | NA |
| STEAROYL SPHINGOMYELIN | ME644618 | 1.79 | 1.90 | 1.79 | 0.05 | 0.81 | 1.14 | 1.98 | 2.08 | 0.06 | 0.22 | 1.51 | 1.84 | 0.10 | 0.13 | 0.42 | 0.50 | 0.07 | 0.05 | 0.51 | 0.58 | 0.09 | 0.07 |
| 2^-DEOXYADENOSINE 5^-MONOPHOSPHATE | ME644214 | 1.78 | 1.20 | 2.01 | 0.02 | 0.03 | 0.02 | 0.53 | 0.58 | NA | NA | 0.66 | 0.44 | NA | NA | 1.50 | 1.90 | NA | NA | 1.39 | 0.77 | NA | NA |
| TRYPTOPHANAMIDE | ME644638 | 2.02 | 1.74 | 1.51 | 0.31 | 0.33 | 0.19 | 1.74 | 1.24 | 0.13 | NA | 0.57 | 0.71 | NA | NA | 0.65 | 1.72 | NA | 0.11 | 0.48 | 0.36 | 0.16 | 0.08 |
| ADPGLUCOSE | ME644293 | 1.53 | 1.23 | 1.54 | 0.20 | 0.17 | NA | 1.73 | 1.47 | 0.40 | 0.23 | 0.93 | 1.37 | 0.32 | 0.36 | 0.60 | 0.56 | 0.51 | NA | 0.84 | 0.67 | NA | 0.22 |
| 2`-DEOXYGUANOSINE | ME644208 | 1.64 | 1.58 | 1.49 | 0.05 | 0.05 | 0.04 | 1.85 | 1.91 | NA | 0.01 | 1.39 | 1.46 | 0.01 | 0.01 | 0.51 | 0.85 | 0.01 | NA | 1.53 | 1.34 | NA | 0.00 |
| PENTITOL | ME644560 | 1.67 | 1.76 | 1.49 | 0.09 | 0.05 | 0.07 | 1.12 | 1.65 | 0.02 | NA | 1.13 | 1.13 | NA | 0.02 | 1.43 | 0.81 | NA | 0.03 | 1.44 | 1.05 | NA | 0.03 |
| METHYL BETA-D-GALACTOSIDE | ME644488 | 1.63 | 1.51 | 1.61 | NA | 0.22 | 0.14 | 1.59 | 1.06 | NA | NA | 0.07 | 0.12 | NA | NA | 0.48 | 0.76 | 0.08 | 0.02 | 1.42 | 1.07 | NA | 0.03 |
| GDP-GLUCOSE | ME644416 | 1.37 | 1.53 | 1.74 | 0.13 | 0.14 | NA | 1.23 | 1.04 | 0.17 | NA | 0.95 | 1.18 | 0.08 | NA | 0.49 | 1.30 | 0.09 | NA | 0.45 | 0.92 | NA | 0.14 |
| PHTHALATE | ME644569 | 1.32 | 1.14 | 1.19 | NA | NA | NA | 0.64 | 1.15 | NA | NA | 0.54 | 0.38 | NA | 0.22 | 0.82 | 0.99 | NA | NA | 1.15 | 0.79 | NA | NA |
| THIOPURINE S-METHYLETHER | ME644626 | 1.32 | 1.03 | 1.12 | NA | NA | NA | 0.84 | 1.16 | NA | NA | 0.57 | 0.73 | NA | NA | 0.84 | 1.01 | NA | NA | 1.14 | 0.89 | NA | NA |
| BENZOIN | ME644314 | 1.38 | 0.95 | 1.31 | 0.03 | NA | NA | 0.84 | 0.97 | NA | NA | 0.91 | 0.92 | NA | NA | 0.88 | 0.92 | NA | NA | 1.05 | 1.05 | NA | NA |
| FERULATE | ME644406 | 1.36 | 1.22 | 1.34 | 0.07 | NA | 0.03 | 1.11 | 1.25 | 0.02 | 0.02 | 0.94 | 0.96 | 0.03 | NA | 1.18 | 0.93 | NA | NA | 1.16 | 1.09 | 0.02 | NA |
| DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY) | ME644373 | 1.06 | 1.73 | 1.78 | NA | 0.03 | NA | 0.85 | 0.79 | NA | NA | 1.45 | 0.93 | NA | NA | NA | 0.41 | 0.22 | 0.16 | 0.16 | NA | NA | NA |
| 3^-DEPHOSPHO COA | ME644245 | 1.12 | 1.20 | 0.85 | NA | NA | NA | 1.90 | 0.60 | NA | NA | 1.87 | 1.54 | NA | NA | 0.33 | 0.49 | NA | NA | 0.20 | 0.56 | NA | NA |
| N-ALPHA-ACETYL-L-ASPARAGINE | ME644519 | 1.72 | 1.44 | 1.24 | NA | NA | NA | 0.68 | 0.69 | NA | NA | 1.94 | 1.73 | NA | NA | 0.16 | 0.23 | NA | NA | 0.70 | 0.71 | NA | NA |
| DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE | ME644391 | 2.23 | 1.22 | 2.07 | 0.14 | NA | 0.27 | 0.78 | 0.66 | 0.08 | NA | 0.74 | 1.04 | NA | NA | 0.53 | 0.41 | NA | NA | 0.41 | 0.79 | 0.05 | NA |
| DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINE | ME644393 | 2.40 | 0.94 | 1.67 | NA | NA | NA | 0.61 | 0.67 | NA | NA | 0.91 | 1.32 | NA | NA | 0.25 | 0.07 | NA | NA | 0.40 | 0.59 | NA | NA |
| HEPTADECANOYLGLYCEROPHOSPHOCHOLINE | ME644441 | 2.19 | 1.52 | 2.27 | 0.42 | 0.35 | NA | 0.98 | 0.82 | 0.13 | NA | 1.23 | 1.21 | 0.42 | 0.32 | 0.35 | 0.33 | 0.21 | NA | 0.43 | 0.84 | 0.34 | NA |
| PALMITOLEOYLGLYCEROPHOSPHOCHOLINE | ME644550 | 2.40 | 1.11 | 2.20 | 0.03 | 0.03 | NA | 1.18 | 1.08 | NA | 0.01 | 1.37 | 1.74 | 0.04 | NA | 0.24 | 0.18 | NA | 0.04 | 0.50 | 0.74 | NA | 0.02 |
| DEOXYURIDINE | ME644369 | 2.28 | 2.25 | 2.25 | 0.05 | 0.10 | NA | 1.14 | 0.82 | 0.05 | NA | 1.76 | 1.55 | 0.37 | 0.27 | 0.53 | 0.71 | 0.43 | 0.27 | 0.21 | 0.31 | 0.33 | 0.29 |
| PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCEROPHOSPHOETHANOLAMINE | ME644559 | 2.35 | 1.65 | 1.95 | 0.53 | 0.67 | 0.33 | 1.15 | 1.02 | 0.52 | 0.41 | 1.45 | 1.56 | 0.57 | 0.70 | 0.36 | 0.41 | 0.59 | 0.52 | 0.62 | 0.88 | 0.60 | 0.57 |
| 7-AMINOCEPHALOSPORANIC ACID | ME644283 | NA | NA | 0.10 | 0.72 | 0.78 | 0.20 | 0.30 | 0.07 | 0.77 | 0.60 | 3.22 | 3.18 | 0.51 | 0.95 | 0.09 | 0.46 | 0.71 | 0.81 | 0.55 | 1.47 | 0.79 | 0.52 |
| DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (PROBABLY) | ME644383 | 1.28 | 1.21 | 1.45 | 0.00 | NA | NA | 1.41 | NA | 0.06 | 0.00 | 1.61 | 1.17 | 0.01 | 0.05 | NA | NA | 0.00 | 0.00 | NA | NA | 1.86 | NA |
| DECANOYLCARNITINE | ME644363 | 0.87 | 0.22 | 0.32 | NA | NA | NA | 1.62 | NA | NA | NA | 2.51 | 1.39 | NA | NA | NA | 0.34 | 0.64 | 0.29 | 0.17 | 0.37 | 0.07 | 0.28 |
| DIMETHYLBENZIMIDAZOLE | ME644386 | 0.41 | 0.65 | 0.23 | 0.32 | NA | 0.11 | 0.71 | 0.58 | NA | 0.20 | 2.81 | 2.10 | 0.19 | NA | NA | NA | 0.17 | NA | NA | NA | NA | NA |
| LEUCENOL | ME644473 | 0.67 | 0.45 | 0.51 | 0.25 | 0.37 | 0.30 | 0.22 | 2.24 | 1.01 | 0.46 | 3.15 | 2.79 | 0.23 | NA | 1.14 | 0.45 | 0.51 | 0.38 | 0.28 | 0.51 | 0.31 | 0.36 |
| POSSIBLY C10H13NO2 | ME644572 | 0.61 | 0.97 | 1.12 | 1.65 | 0.80 | NA | NA | 1.44 | 1.08 | 0.27 | 1.65 | 1.96 | 0.78 | 0.62 | 1.32 | NA | 0.52 | 0.45 | NA | 0.84 | 0.41 | 0.40 |
| [13C]-HISTIDINE | ME644184 | 0.30 | 0.44 | 0.23 | NA | NA | NA | 0.21 | 0.10 | 0.90 | NA | 1.46 | 1.66 | 0.07 | 0.54 | 2.14 | NA | NA | NA | NA | NA | NA | NA |
| MALTOSE | ME644482 | 0.50 | 0.94 | 0.46 | NA | 0.61 | 1.00 | 0.33 | 0.97 | 1.42 | NA | 1.66 | 1.25 | NA | NA | 1.24 | 0.32 | 0.62 | NA | 1.71 | 0.91 | NA | NA |
| SELENOCYSTAMINE | ME644605 | 0.67 | 0.51 | 0.36 | NA | 0.65 | 0.57 | 0.39 | 1.15 | NA | NA | 2.92 | 0.72 | 0.44 | NA | 1.45 | 0.52 | NA | NA | 1.09 | 0.83 | NA | NA |
| URIDINE | ME644642 | 1.19 | 0.93 | 1.08 | 0.01 | 0.00 | 0.01 | 3.08 | 2.57 | 0.01 | 0.01 | 2.98 | 2.53 | 0.22 | 0.04 | 0.77 | 0.31 | 0.23 | 0.04 | 2.45 | 2.19 | 0.32 | 0.04 |
| GUANOSINE | ME644437 | 2.12 | 2.08 | 1.88 | 0.00 | 0.00 | 0.00 | 2.74 | 2.77 | 0.00 | 0.00 | 2.05 | 2.16 | 0.01 | 0.00 | 0.68 | 1.22 | 0.01 | 0.00 | 2.05 | 1.95 | 0.00 | 0.00 |
| INOSINE | ME644462 | 1.18 | 1.33 | 1.12 | 0.02 | NA | NA | 2.48 | 2.50 | 0.00 | 0.00 | 2.28 | 2.32 | 0.04 | 0.01 | 0.50 | 1.16 | 0.04 | 0.01 | 1.61 | 2.18 | 0.02 | 0.01 |
| CYTIDINE | ME644357 | 0.88 | 0.65 | 0.71 | 0.01 | 0.00 | 0.00 | 2.36 | 2.79 | 0.00 | 0.00 | 2.54 | 2.22 | 0.02 | 0.00 | 2.69 | 1.29 | 0.05 | 0.00 | 2.07 | 1.81 | 0.04 | 0.00 |
| NICOTINAMIDE | ME644526 | 1.23 | 1.15 | 1.21 | 0.14 | 0.13 | 0.14 | 2.45 | 2.40 | 0.19 | 0.20 | 1.80 | 1.86 | 0.20 | 0.19 | 1.61 | 2.29 | 0.28 | 0.24 | 1.74 | 2.25 | 0.21 | 0.23 |
| ALPHA-LIPOAMIDE | ME644301 | 1.28 | 1.03 | 1.95 | 0.03 | 0.33 | 0.06 | 0.18 | 1.58 | 0.20 | 0.21 | 2.68 | 2.52 | NA | 0.13 | 1.15 | 2.59 | 0.16 | 0.20 | 1.81 | 1.23 | 0.24 | 0.17 |
| ETHANOLAMINE | ME644402 | 0.18 | 0.20 | 0.19 | 0.59 | 0.55 | 0.56 | 0.98 | 1.76 | 0.71 | 0.50 | 2.16 | 2.00 | 0.55 | 0.53 | 1.90 | 1.30 | 0.50 | 0.54 | 2.72 | 1.98 | 0.34 | 0.54 |
| ETHYL 3-INDOLE ACETATE | ME644403 | 0.42 | 0.74 | 0.45 | 0.40 | 0.31 | 0.36 | 0.43 | 0.38 | 0.34 | 0.33 | 2.57 | 3.38 | 0.31 | 0.34 | 1.59 | 1.54 | 0.33 | 0.28 | 2.67 | 2.02 | 0.32 | 0.24 |
| 5-OXO-PROLINE | ME644278 | 0.52 | 0.53 | 0.50 | 0.17 | 0.14 | 0.28 | 2.28 | 1.68 | 0.18 | 0.10 | 2.05 | 3.58 | 0.25 | 0.15 | 1.21 | 1.92 | 0.46 | 0.16 | 1.83 | 2.81 | 0.61 | 0.36 |
| ADENOSINE 5^-MONOPHOSPHATE | ME644291 | 0.26 | 0.35 | 0.23 | NA | 0.00 | 0.00 | 1.97 | 1.79 | 0.00 | 0.00 | 2.12 | 2.65 | 0.01 | 0.00 | 2.00 | 2.41 | 0.01 | 0.00 | 2.41 | 2.59 | 0.01 | 0.00 |
| GLUTAMIC ACID | ME644422 | 0.30 | 0.32 | 0.31 | 0.01 | 0.01 | 0.02 | 1.60 | 2.36 | 0.04 | 0.03 | 2.93 | 3.10 | 0.05 | 0.04 | 2.03 | 2.04 | 0.05 | 0.03 | 3.41 | 2.69 | 0.21 | 0.04 |
| 2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE | ME644216 | 0.58 | 0.80 | 0.48 | 0.65 | 0.79 | 0.73 | 0.59 | 0.49 | 0.34 | 0.27 | 2.39 | 1.95 | 0.63 | 0.26 | 0.87 | 2.48 | 0.21 | 0.16 | 1.47 | 2.70 | 0.57 | 0.69 |
| CINNAMOYLGLYCINE | ME644338 | 0.72 | 0.42 | 0.89 | 0.18 | 0.23 | 0.15 | 1.48 | 1.53 | 0.12 | 0.10 | 1.89 | 2.64 | 0.10 | 0.17 | 1.45 | 3.86 | 0.09 | 0.11 | 2.28 | 3.23 | 0.09 | 0.11 |
| 3-(CYSTEIN-S-YL)ACETAMINOPHEN | ME644230 | 0.72 | 0.46 | 0.74 | 0.36 | 0.40 | 0.37 | 1.93 | 1.52 | 0.32 | 0.34 | 1.64 | 1.93 | 0.34 | 0.43 | 1.19 | 3.33 | 0.36 | 0.35 | 1.74 | 2.71 | 0.35 | 0.35 |
| BOC-HIS-OH | ME644327 | 0.71 | 0.36 | 0.70 | 0.45 | 0.43 | 0.43 | 1.90 | 1.52 | 0.29 | 0.34 | 1.73 | 2.27 | 0.34 | 0.37 | 1.26 | 3.03 | 0.29 | 0.26 | 1.68 | 2.92 | 0.31 | 0.32 |
| RIBOSE 5-PHOSPHATE | ME644598 | NA | 2.00 | 0.66 | 0.85 | NA | NA | 1.64 | 0.70 | 0.59 | NA | 0.98 | 0.88 | 0.36 | NA | NA | 0.66 | 0.59 | NA | 1.09 | 1.93 | 0.25 | NA |
| MANNOSE-6-PHOSPHATE | ME644483 | 0.45 | NA | 0.15 | NA | 0.30 | NA | 1.13 | 1.26 | 0.12 | 0.14 | 1.51 | 2.73 | 0.11 | NA | 0.35 | 0.54 | 0.17 | NA | 1.65 | 1.22 | 0.10 | 0.17 |
| THYMIDINE-5^-DIPHOSPHO-ALPHA-D-GLUCOSE | ME644629 | 0.34 | 0.62 | 0.40 | 0.29 | 0.44 | 0.39 | 0.95 | 0.77 | NA | 0.22 | 1.38 | 1.90 | 0.35 | 0.94 | 1.06 | 0.29 | NA | NA | 1.36 | 2.18 | 0.30 | NA |
| COTININE | ME644347 | 0.53 | 0.27 | 0.14 | NA | NA | 0.10 | 2.43 | 2.21 | NA | NA | 0.65 | 0.67 | NA | NA | 0.14 | 0.52 | NA | NA | 1.48 | 2.06 | NA | 0.07 |
| N-ACETYL-L-CYSTEINE | ME644514 | 0.07 | 0.08 | 0.35 | NA | NA | NA | 2.03 | 1.01 | NA | NA | 1.60 | 1.67 | NA | 0.02 | 0.16 | 0.74 | NA | NA | 0.71 | 1.43 | NA | NA |
| (2-AMINOETHYL)PHOSPHONATE | ME644180 | 0.20 | NA | 0.24 | NA | NA | NA | 1.78 | 1.64 | NA | NA | 1.12 | 0.57 | NA | NA | 1.28 | 1.03 | NA | 0.10 | 1.14 | 0.68 | NA | NA |
| FRUCTOSE 1,6-BIPHOSPHATE | ME644410 | 0.08 | 0.03 | 0.08 | 0.00 | NA | NA | 1.62 | 1.27 | NA | NA | 0.81 | 1.10 | NA | NA | 0.55 | 1.89 | NA | NA | 0.76 | 1.52 | NA | NA |
| CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP) | ME644358 | 0.53 | 0.62 | 0.72 | NA | NA | NA | 0.45 | 0.52 | NA | NA | 1.50 | 0.64 | NA | 0.57 | NA | 1.43 | NA | NA | 1.56 | 1.77 | NA | NA |
| 1-NAPHTHYLAMINE | ME644200 | 0.66 | 1.10 | 0.78 | NA | NA | NA | 0.81 | 1.17 | 0.71 | NA | 1.16 | 0.83 | 0.86 | NA | 1.12 | 1.27 | 0.87 | NA | 1.00 | 1.30 | NA | 0.40 |
| TESTOSTERONE | ME644623 | 0.95 | 1.13 | 1.06 | 0.36 | NA | NA | 1.07 | 1.29 | 0.62 | 0.09 | 1.10 | 1.20 | 0.57 | 0.92 | 1.00 | 1.26 | 0.98 | 0.85 | 1.12 | 1.17 | 0.14 | 1.08 |
| ANILINE | ME644308 | NA | 1.00 | 0.91 | NA | 0.48 | NA | 0.93 | 1.05 | 0.39 | NA | 0.82 | 0.92 | NA | 1.33 | 1.04 | 1.51 | NA | NA | 1.22 | 0.88 | 0.67 | 0.29 |
| LL-2,6-DIAMINOHEPTANEDIOATE | ME644478 | NA | 0.48 | 0.48 | NA | 0.88 | NA | 0.94 | 1.67 | NA | NA | 1.53 | 0.91 | 0.57 | 0.33 | 0.84 | 1.30 | 0.59 | NA | 1.48 | 1.58 | 0.80 | 0.46 |
| CYCLOHEX-1-ENECARBOXYLIC ACID | ME644350 | 0.70 | 1.77 | 0.57 | 0.34 | 0.19 | 0.65 | 1.49 | 1.68 | NA | NA | 1.49 | NA | 0.13 | 0.24 | 2.02 | 1.45 | NA | 0.10 | 2.10 | 1.36 | NA | NA |
| GLUCOSAMINE 6-PHOSPHATE | ME644419 | 0.93 | 0.54 | 0.98 | 0.07 | 0.14 | 0.15 | 2.12 | 2.14 | 0.07 | 0.04 | 1.22 | 0.63 | NA | 0.04 | 0.97 | 2.03 | 0.13 | 0.07 | 2.08 | 1.30 | 0.09 | 0.06 |
| GLUCOSAMINE 6-SULFATE | ME644420 | 0.90 | 0.52 | 0.92 | 0.10 | 0.11 | 0.11 | 2.09 | 1.84 | 0.03 | NA | 1.08 | 0.67 | 0.03 | NA | 0.94 | 1.88 | 0.03 | NA | 1.90 | 1.27 | NA | 0.03 |
| HOMOSERINE | ME644451 | 0.63 | 0.72 | 0.61 | 0.18 | 0.16 | 0.26 | 1.49 | 0.83 | 0.42 | NA | 1.88 | 1.30 | 1.27 | NA | 1.84 | 1.62 | NA | NA | 1.03 | 0.99 | NA | 0.99 |
| METHYLGUANIDINE | ME644493 | 0.44 | 0.38 | 0.35 | NA | 0.20 | 0.16 | 1.18 | 0.90 | 0.42 | 0.39 | 1.98 | 2.32 | 0.68 | 0.74 | 1.59 | 1.88 | 0.32 | 0.43 | 1.20 | 0.79 | 0.53 | 0.36 |
| AMINOHYDROXYBUTANOIC ACID | ME644306 | 0.58 | 0.74 | 0.43 | 0.14 | NA | NA | 1.04 | 1.21 | 0.27 | 0.27 | 1.65 | 1.54 | 0.28 | 0.37 | 2.89 | 2.14 | 0.31 | 0.32 | 1.78 | 1.67 | 0.30 | 0.30 |
| PROLINE | ME644578 | 0.92 | 0.92 | 0.90 | 0.41 | 0.47 | 0.45 | 1.69 | 1.48 | 0.32 | 0.31 | 1.80 | 1.82 | 0.32 | 0.31 | 2.15 | 2.50 | 0.36 | 0.34 | 2.06 | 2.08 | 0.29 | 0.34 |
| 3^-CMP | ME644242 | 0.60 | 0.96 | 0.61 | 0.05 | 0.05 | 0.02 | 1.42 | 1.83 | 0.06 | 0.05 | 1.95 | 2.25 | 0.07 | 0.04 | 1.67 | 2.62 | 0.05 | 0.06 | 1.64 | 1.80 | 0.06 | 0.05 |
| CYTIDINE 5`-MONOPHOSPHATE | ME644360 | 0.45 | 0.65 | 0.53 | 0.01 | 0.00 | 0.01 | 1.49 | 1.95 | 0.00 | NA | 1.37 | 1.80 | NA | 0.00 | 1.22 | 1.90 | 0.01 | 0.00 | 1.13 | 1.49 | 0.00 | 0.00 |
| DGTP | ME644372 | 0.52 | 1.00 | 0.51 | 0.30 | 0.41 | 0.56 | 1.49 | 1.73 | 0.11 | 0.14 | 1.90 | 2.28 | 0.16 | 0.16 | 0.97 | 1.72 | 0.21 | 0.12 | 1.86 | 1.35 | 0.37 | 0.16 |
| GLYCINE | ME644432 | 0.43 | 0.37 | 0.32 | NA | NA | 0.07 | 1.54 | 1.58 | 0.21 | 0.27 | 2.37 | 2.39 | 0.28 | 0.22 | 1.70 | 1.64 | 0.32 | 0.26 | 1.89 | 1.76 | 0.26 | 0.23 |
| PHOSPHOCHOLINE | ME644567 | 0.44 | 0.49 | 0.45 | NA | 0.03 | 0.05 | 0.90 | 1.35 | 0.06 | 0.06 | 1.47 | 0.90 | NA | 0.05 | 1.56 | 2.75 | 0.04 | NA | 1.62 | 2.25 | 0.17 | 0.07 |
| URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINE | ME644643 | 0.47 | 0.46 | 0.45 | 0.02 | 0.02 | NA | 0.83 | 1.08 | NA | NA | 1.18 | 1.30 | NA | 0.03 | 1.51 | 1.35 | NA | NA | 1.60 | 1.95 | 0.01 | NA |
| CYTIDINE 5^-DIPHOSPHOCHOLINE | ME644361 | 0.19 | 0.21 | 0.22 | NA | 0.01 | 0.01 | 1.28 | 1.47 | 0.01 | 0.01 | 1.35 | 1.83 | 0.01 | 0.01 | 0.90 | 1.63 | 0.01 | 0.01 | 1.93 | 2.15 | 0.22 | NA |
| O-PHOSPHO-DL-SERINE | ME644542 | 0.33 | 0.21 | 0.31 | 0.01 | NA | 0.01 | 1.47 | 1.41 | NA | 0.01 | 1.49 | 1.88 | 0.01 | 0.01 | 1.04 | 1.91 | NA | 0.01 | 1.76 | 2.17 | NA | 0.02 |
| QUINATE | ME644590 | 0.27 | 0.32 | 0.04 | 0.12 | 0.22 | 0.06 | 0.68 | 0.85 | 0.22 | NA | 0.27 | 0.33 | 0.13 | NA | 3.64 | 1.57 | 0.06 | 0.13 | 1.64 | 1.94 | 0.10 | 0.13 |
| PYRIDOXAL 5`-PHOSPHATE | ME644587 | 0.10 | 0.10 | 0.10 | NA | NA | NA | 1.05 | 1.21 | NA | NA | 0.04 | 0.02 | NA | 0.08 | 2.01 | 2.55 | NA | NA | 1.71 | 1.50 | 0.04 | NA |
| URIDINE 5^-DIPHOSPHATE | ME644644 | 0.58 | 0.76 | 0.59 | NA | NA | NA | 1.05 | 0.98 | NA | 0.26 | NA | NA | 0.23 | 0.45 | 1.96 | 1.70 | NA | 0.20 | 1.32 | 1.05 | NA | NA |
| GUANOSINE 5^ MONOPHOSPHATE | ME644439 | 0.45 | 0.81 | 0.49 | NA | NA | NA | 0.78 | 0.59 | NA | NA | 1.08 | 1.18 | 0.00 | NA | 2.06 | 2.22 | NA | 0.00 | 1.14 | 0.99 | 0.00 | NA |
| HYPOTAURINE | ME644455 | 0.91 | 0.71 | 0.89 | NA | NA | NA | 1.09 | 1.83 | NA | NA | 0.61 | 0.95 | NA | NA | 1.77 | 1.36 | NA | NA | 0.67 | 0.62 | NA | NA |
| BIURET | ME644322 | 0.09 | 0.07 | 0.11 | NA | NA | NA | 1.02 | 1.46 | NA | NA | 0.60 | 1.03 | NA | NA | 1.52 | 2.59 | NA | NA | 0.54 | 0.49 | NA | NA |
| TAURINE | ME644622 | 0.56 | 0.25 | 0.51 | NA | NA | NA | 0.89 | 1.43 | NA | NA | 0.42 | 0.48 | NA | NA | 1.74 | 2.26 | NA | NA | 1.03 | 0.11 | NA | NA |
| BOC-LYS-OH | ME644328 | 1.14 | 0.80 | 0.75 | NA | NA | NA | 0.56 | 0.66 | NA | 1.05 | 1.79 | NA | 0.79 | 0.85 | 1.46 | 1.07 | NA | NA | 1.24 | 0.12 | NA | NA |
| OROTIDINE 5^-MONOPHOSPHATE | ME644547 | 0.74 | 1.08 | NA | NA | NA | NA | 1.00 | 0.67 | NA | NA | 0.83 | 0.56 | 0.65 | 0.69 | 1.88 | 0.93 | NA | NA | 1.23 | 1.12 | NA | NA |
| RIBULOSE 1,5-BISPHOSPHATE | ME644599 | NA | NA | NA | 0.25 | 0.47 | NA | 0.30 | 0.30 | NA | 0.43 | 0.74 | NA | 0.43 | NA | 1.50 | 0.43 | NA | NA | 1.57 | 1.50 | NA | NA |
| METHYL INDOLE-3-ACETATE | ME644489 | 1.30 | 0.80 | 1.18 | 1.00 | 1.15 | 0.88 | 1.27 | 1.78 | 0.21 | 0.76 | NA | NA | 0.31 | NA | 1.53 | 0.75 | 0.23 | 0.37 | 2.29 | 2.73 | NA | NA |
| [13C]-GLUTAMATE | ME644183 | 1.23 | 1.37 | 1.19 | 0.06 | 0.10 | 0.11 | 0.69 | 1.82 | 0.14 | 0.12 | 1.04 | 1.22 | 0.11 | 0.11 | 2.88 | 1.29 | 0.18 | 0.15 | 3.95 | 1.90 | 0.43 | 0.12 |
| [13C]-PROLINE | ME644189 | 1.32 | 1.45 | 1.27 | 0.16 | 0.17 | 0.18 | 1.20 | 2.05 | 0.24 | 0.23 | 1.63 | 1.72 | 0.24 | 0.24 | 2.68 | 1.65 | 0.26 | 0.26 | 2.77 | 2.12 | 0.22 | 0.26 |
| [13C]-THREONINE | ME644190 | 1.33 | 1.59 | 1.36 | 0.17 | 0.20 | 0.19 | 0.84 | 1.71 | 0.30 | 0.31 | 1.09 | 1.16 | 0.21 | 0.36 | 3.11 | 1.46 | 0.26 | 0.35 | 2.77 | 1.98 | 0.27 | 0.27 |
| CORTICOSTERONE | ME644343 | NA | 2.52 | 1.03 | 1.60 | 0.83 | 1.18 | 2.77 | NA | 0.61 | 0.66 | 1.08 | NA | 0.39 | 0.75 | 1.54 | 1.35 | NA | 0.46 | 0.81 | 0.48 | NA | 0.51 |
| 3-(2-HYDROXYPHENYL)PROPANOATE | ME644228 | 1.02 | 0.73 | 0.47 | 1.04 | 0.50 | 1.26 | 1.48 | 1.41 | NA | NA | 1.15 | 1.62 | NA | NA | 0.12 | 0.81 | NA | NA | 1.26 | 0.83 | NA | NA |
| N-ACETYL-DL-METHIONINE | ME644510 | 0.88 | 1.10 | 0.79 | 1.31 | 1.42 | 1.23 | 1.69 | 1.27 | 0.08 | 0.09 | 2.26 | 1.92 | 0.07 | 0.06 | 0.84 | 0.87 | 0.10 | 0.07 | 1.16 | 1.13 | 0.13 | 0.11 |
| GAMMA-GLUTAMYLTYROSINE | ME644415 | 0.23 | 0.22 | 0.42 | 1.33 | 1.36 | 1.16 | 2.79 | 1.64 | 0.37 | 0.27 | 1.63 | 2.58 | 0.39 | 0.38 | 0.75 | 1.00 | 0.42 | 0.30 | 1.09 | 1.28 | 0.47 | 0.38 |
| LEUCYLPHENYLALANINE | ME644475 | 0.68 | 0.70 | 0.76 | 0.83 | 0.64 | 0.56 | 2.93 | 1.19 | 0.60 | 0.40 | 2.69 | 2.59 | 0.41 | 0.63 | NA | 0.55 | 0.35 | 0.28 | 1.10 | 0.84 | 0.35 | 0.23 |
| 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE | ME644241 | 0.46 | 0.32 | 0.33 | 1.16 | 0.71 | 0.98 | 2.23 | 0.98 | 1.17 | 0.86 | 1.72 | 3.70 | 0.95 | 0.94 | 1.04 | 1.04 | 1.17 | 0.86 | 0.75 | 0.81 | 0.99 | 0.92 |
| OXOMALONATE | ME644549 | 0.62 | 0.70 | 0.77 | 1.42 | 0.72 | 1.69 | 1.68 | 0.31 | NA | NA | 1.19 | 3.72 | NA | NA | 1.12 | 1.42 | NA | NA | 0.72 | 1.04 | 0.93 | 0.36 |
| 3-(4-HYDROXYPHENYL)PYRUVATE | ME644229 | NA | 1.25 | 0.92 | 1.15 | 1.71 | 2.71 | 0.65 | 0.90 | NA | NA | 0.65 | 0.67 | NA | NA | 0.72 | 1.00 | 1.01 | NA | 0.64 | 0.71 | NA | NA |
| N-ACETYL-D-TRYPTOPHAN | ME644511 | 1.41 | 0.98 | 1.03 | 2.03 | 0.27 | 1.73 | 0.61 | 0.85 | NA | 0.36 | 0.90 | 0.73 | 0.83 | 0.64 | 1.01 | 0.77 | NA | NA | 1.15 | 0.97 | 0.57 | 0.63 |
| SORBIC ACID | ME644610 | 0.76 | 1.00 | 0.81 | 2.06 | 0.85 | 1.20 | 1.40 | 1.07 | NA | NA | 0.60 | 0.60 | NA | 0.53 | 1.01 | 1.22 | NA | NA | 0.92 | 0.67 | 0.53 | NA |
| ALLANTOIN | ME644298 | 0.84 | 0.73 | 0.75 | 1.91 | 1.20 | 2.13 | 1.52 | 1.62 | 0.50 | 0.44 | 1.01 | 1.05 | 0.47 | 0.43 | 1.31 | 2.13 | 0.59 | 0.49 | 1.60 | 1.61 | 0.52 | 0.48 |
| FORMYL-L-METHIONINE | ME644409 | 0.52 | 0.45 | 0.57 | 1.79 | 2.41 | 1.77 | 1.82 | 0.95 | 0.30 | 0.39 | 0.92 | 1.10 | 0.37 | 0.26 | 1.07 | 1.68 | 0.41 | 0.35 | 0.79 | 1.01 | 0.39 | 0.37 |
| PANTOTHENIC ACID | ME644554 | 0.79 | 0.75 | 0.93 | 1.86 | 2.01 | 1.80 | 1.85 | 0.95 | 0.52 | 0.47 | 1.68 | 1.26 | 0.56 | 0.45 | 1.14 | 1.59 | 0.57 | 0.46 | 0.69 | 0.52 | 0.57 | 0.53 |
| HEXITOL | ME644442 | 0.16 | 0.18 | 0.12 | 1.93 | 1.83 | 1.94 | 0.74 | 0.78 | NA | NA | 1.84 | 1.83 | NA | NA | 0.73 | 0.10 | NA | NA | 0.80 | 0.89 | 2.16 | NA |
| GAMMA-GLUTAMYLPHENYLALANINE | ME644414 | NA | NA | 0.16 | 1.79 | 1.82 | 1.53 | 1.59 | 0.94 | 0.40 | 0.23 | 1.47 | 2.39 | 0.41 | 0.13 | 0.49 | 0.45 | 0.37 | 0.25 | 0.39 | 0.46 | 0.51 | 0.29 |
| VITAMIN B12 | ME644650 | NA | 0.76 | NA | 1.82 | 1.10 | 1.48 | 0.95 | 0.54 | NA | NA | NA | 2.11 | NA | 0.20 | NA | 0.76 | 0.47 | 0.31 | NA | NA | NA | 0.22 |
| 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE | ME644207 | 0.31 | 0.33 | NA | 1.70 | NA | 0.84 | 2.26 | 1.77 | 0.96 | 1.09 | 0.66 | 0.60 | 1.23 | 1.19 | 0.57 | 0.47 | NA | 1.06 | 0.67 | 0.96 | 0.52 | 0.39 |
| LENTICIN | ME644472 | NA | NA | NA | 0.95 | 0.64 | 0.63 | 1.84 | 0.51 | 1.49 | 1.85 | 0.49 | 0.75 | 1.20 | 1.35 | 0.38 | 0.55 | 0.23 | 0.37 | NA | 0.87 | 1.36 | 1.47 |
| BETAINE | ME644316 | 0.91 | 0.64 | 0.93 | 0.97 | 0.74 | 1.52 | 1.83 | 0.51 | 0.77 | 0.45 | 0.65 | NA | 0.92 | 1.18 | 0.50 | 1.38 | NA | NA | 3.14 | 0.86 | 0.71 | 0.67 |
| BILIVERDIN | ME644317 | 1.93 | 1.05 | NA | 1.09 | 1.28 | 0.78 | NA | NA | 0.57 | 0.85 | 1.99 | NA | NA | 0.98 | 1.31 | 1.28 | 0.81 | 0.86 | 0.59 | 0.66 | NA | NA |
| CITRAMALATE | ME644340 | NA | 0.44 | 0.41 | 0.67 | 0.71 | 0.66 | 0.59 | 0.99 | 1.14 | 1.17 | 1.23 | 0.75 | NA | 1.28 | 2.56 | 1.26 | 0.71 | 1.23 | 1.27 | 1.35 | 0.76 | 0.66 |
| CYTIDINE 5`-DIPHOSPHATE | ME644359 | 0.87 | 0.85 | 0.93 | 0.45 | 0.67 | NA | 1.12 | 0.90 | 0.99 | 1.20 | 1.06 | 0.92 | 0.69 | 2.15 | 1.22 | 0.94 | 0.48 | 1.07 | 1.59 | 1.27 | 0.56 | 0.68 |
| ASPARAGINE | ME644313 | 0.15 | 0.20 | 0.12 | 0.16 | 0.23 | 0.16 | 1.02 | 1.35 | 0.94 | 0.92 | 1.45 | 1.32 | 0.95 | 0.92 | 1.28 | 1.76 | 0.98 | 0.97 | 1.65 | 1.46 | 0.86 | 1.01 |
| GLUTAMINE | ME644423 | 0.05 | 0.09 | 0.04 | 0.29 | 0.20 | 0.26 | 0.73 | 0.41 | 0.97 | 0.92 | 1.08 | 0.85 | 1.06 | 1.02 | 2.17 | 1.27 | 1.75 | 1.15 | 2.07 | 1.76 | 1.60 | 1.42 |
| N-ACETYL-BETA-D-GLUCOSAMINYLAMINE | ME644506 | 0.93 | 0.86 | 0.70 | 0.49 | NA | 0.97 | 0.77 | 1.72 | 1.50 | 0.92 | 1.06 | 0.70 | 0.97 | 0.93 | 0.86 | 1.37 | 0.97 | 0.95 | 1.83 | 0.75 | 0.72 | 0.80 |
| URIDINE-5-MONOPHOSPHATE | ME644646 | 0.54 | 0.75 | 0.60 | NA | NA | 0.02 | 1.29 | 2.08 | 0.62 | 0.34 | 0.61 | 1.02 | 0.69 | 0.72 | 1.69 | 1.13 | 0.99 | 0.47 | 1.98 | 0.87 | 1.12 | 1.04 |
| CORTISOL | ME644344 | NA | 1.97 | 2.48 | 1.08 | 0.81 | 1.47 | 0.86 | 1.30 | NA | 0.68 | 0.92 | 0.64 | 0.66 | 1.19 | NA | 1.11 | 0.61 | 0.45 | 1.20 | 1.43 | 0.68 | 0.61 |
| DIETHANOLAMINE | ME644376 | 1.15 | 1.44 | 1.39 | 1.14 | 1.22 | 0.97 | 0.82 | 0.90 | NA | 0.61 | 0.44 | 0.88 | NA | 1.35 | 0.79 | 0.74 | 0.78 | 1.43 | 0.86 | 0.89 | NA | 0.85 |
| DIMETHYLARGININE | ME644385 | 0.85 | 1.33 | 0.73 | 0.89 | 1.02 | 0.86 | 0.57 | 0.56 | 0.76 | 0.62 | 2.34 | 1.59 | 0.75 | 0.56 | 2.58 | 1.05 | 0.97 | 0.55 | 1.23 | 0.62 | 0.83 | 0.65 |
| 6-PHOSPHOGLUCONIC ACID | ME644282 | 1.60 | 1.49 | 1.71 | 0.82 | 0.07 | 0.88 | 1.05 | 1.18 | 0.51 | 0.48 | 2.27 | NA | 0.60 | 0.80 | 0.69 | 1.06 | 0.42 | 0.70 | 1.41 | 1.33 | 0.38 | 0.38 |
| GLUCARIC/GULARIC/SACCHARIC ACID | ME644417 | 1.22 | 0.69 | 1.86 | 0.28 | 0.41 | NA | 1.73 | 0.98 | 0.51 | 0.45 | 1.70 | 0.63 | 0.43 | NA | 0.68 | 0.72 | NA | 0.50 | 1.07 | 1.84 | 0.61 | 0.48 |
| PALMITOYL SPHINGOMYELIN | ME644551 | 1.43 | 1.55 | 1.35 | 0.67 | 0.62 | 1.03 | 1.80 | 1.93 | 0.11 | 0.04 | 1.51 | 1.47 | 0.12 | 0.07 | 1.67 | 1.92 | 0.06 | 0.03 | 1.91 | 1.88 | 0.62 | 0.02 |
| ARG-VAL-TRP | ME644311 | 2.12 | 1.63 | 1.71 | 0.25 | 0.25 | 0.30 | 1.67 | 1.61 | 0.25 | 0.30 | 1.49 | 1.96 | 0.32 | 0.36 | 1.51 | 1.68 | 0.23 | 0.35 | 1.56 | 1.90 | 0.22 | 0.35 |
| BOC-ALA-OH | ME644323 | 1.70 | 1.74 | 1.63 | 0.09 | 0.86 | 0.18 | 1.67 | 1.68 | 0.38 | 0.40 | 1.56 | 1.57 | 0.41 | 0.41 | 1.62 | 1.58 | 0.37 | 0.38 | 1.57 | 1.55 | 0.29 | 0.37 |
| 10-HYDROXYDECANOATE | ME644195 | 1.99 | 1.46 | 2.17 | 0.62 | 0.46 | 0.68 | 1.62 | 1.47 | 0.38 | 0.31 | 0.88 | 1.35 | 0.33 | 0.33 | 1.28 | 1.51 | 0.27 | 0.27 | 1.46 | 1.41 | 1.12 | 0.24 |
| 2-METHYLGLUTARIC ACID | ME644224 | 1.82 | 1.46 | 1.77 | 0.62 | 0.84 | 0.56 | 1.46 | 1.62 | 0.31 | 0.29 | 1.29 | 1.21 | 0.27 | 0.25 | 1.16 | 1.01 | 0.34 | 0.63 | 1.57 | 1.31 | 0.46 | 0.21 |
| ETHYL 4-OXOCYCLOHEXANECARBOXYLATE | ME644404 | 1.70 | 1.57 | 1.63 | 0.82 | 0.73 | 0.66 | 1.61 | 1.73 | 0.26 | 0.26 | 1.40 | 1.54 | 0.20 | 0.27 | 1.24 | 1.55 | 0.36 | 0.36 | 1.67 | 1.51 | 0.56 | 0.33 |
| PROMETRYN | ME644579 | 1.17 | 1.16 | 1.13 | 1.69 | 0.62 | 1.71 | 1.17 | 0.98 | 0.66 | 1.03 | 1.17 | 0.97 | 0.53 | 0.69 | 0.89 | 1.05 | 0.71 | 0.72 | 1.11 | 1.27 | 0.50 | 0.56 |
| 11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE | ME644196 | 1.26 | 1.32 | 1.34 | 1.34 | 1.25 | 1.39 | 1.12 | 1.17 | 0.68 | 0.66 | 1.14 | 1.09 | 0.72 | 0.73 | 1.11 | 1.10 | 0.64 | 0.64 | 1.21 | 1.16 | 0.72 | 0.65 |
| ESTRIOL | ME644400 | 1.26 | 1.32 | 1.14 | 1.65 | 1.27 | 1.89 | 1.18 | 1.25 | 0.56 | 0.63 | 1.09 | 1.11 | 0.58 | 0.63 | 1.08 | 1.20 | 0.47 | 0.47 | 1.10 | 1.06 | 0.49 | 0.47 |
| GLYCOCHOLATE | ME644433 | 2.17 | 1.32 | 1.78 | 1.14 | 1.21 | 1.10 | 1.22 | 0.94 | 0.43 | 0.36 | 1.42 | 1.61 | 0.44 | 0.36 | 0.89 | 1.04 | 0.51 | 0.37 | 1.04 | 1.35 | 0.73 | 0.41 |
| SPHINGANINE | ME644613 | 1.71 | 1.08 | 1.85 | 1.99 | 0.99 | 1.32 | 1.21 | 0.62 | 0.48 | 0.31 | 2.08 | 1.45 | 0.49 | 0.53 | 0.63 | 1.08 | 0.41 | 0.33 | 1.19 | 1.57 | 0.31 | 0.24 |
| CORTISOL 21-ACETATE | ME644345 | 1.97 | 1.41 | 1.54 | 0.65 | 0.63 | 0.96 | 0.90 | 0.84 | 0.60 | 0.51 | 2.06 | 1.28 | 0.79 | 0.67 | 1.67 | 0.87 | 0.66 | 0.60 | 1.44 | 0.93 | 0.85 | 0.60 |
| PREGNENOLONE | ME644574 | 2.16 | 1.32 | 1.35 | 0.45 | 0.43 | 0.26 | 1.44 | 1.19 | 0.53 | 0.36 | 1.35 | 1.13 | 0.26 | 1.00 | 0.95 | 1.45 | 0.51 | 0.72 | 1.39 | 0.97 | 0.54 | 0.59 |
| ALANINE | ME644296 | 1.34 | 1.26 | 1.38 | 0.37 | 0.50 | 0.47 | 0.85 | 1.85 | 0.62 | 0.34 | 0.93 | 0.90 | 0.53 | 0.53 | 1.74 | 1.47 | 0.76 | 0.67 | 2.10 | 1.79 | 0.63 | 0.75 |
| [13C]-TYROSINE | ME644191 | 1.52 | 1.43 | 1.49 | 0.52 | 0.65 | 0.79 | 1.05 | 1.39 | 0.68 | 0.71 | 1.07 | 1.14 | 0.72 | 0.68 | 1.43 | 1.11 | 0.72 | 0.74 | 1.53 | 1.36 | 0.59 | 0.73 |
| [13C]-VALINE | ME644192 | 1.51 | 1.47 | 1.48 | 0.42 | 0.48 | 0.46 | 1.10 | 1.53 | 0.64 | 0.65 | 1.11 | 1.14 | 0.64 | 0.63 | 1.47 | 1.41 | 0.67 | 0.68 | 1.81 | 1.47 | 0.57 | 0.66 |
| TRIMETHYLAMINE | ME644635 | 1.09 | 0.76 | 1.12 | 0.89 | 0.73 | 0.73 | 1.41 | 1.55 | 0.93 | 0.79 | 1.43 | 1.07 | 0.71 | 0.56 | 1.09 | 1.29 | 0.50 | 0.59 | 1.30 | 1.04 | 0.99 | 0.56 |
| DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMINE | ME644392 | 1.56 | 1.26 | 1.35 | 0.66 | 1.36 | 0.72 | 1.39 | 1.13 | 0.52 | 0.67 | 1.44 | 1.42 | 0.57 | 0.77 | 1.91 | 1.06 | 0.71 | 0.74 | 0.97 | 0.79 | 0.67 | 0.78 |
| ESTRONE | ME644401 | 1.39 | 1.31 | 1.49 | 0.85 | 0.85 | 0.81 | 0.89 | 1.60 | 0.54 | 0.84 | 0.89 | 1.29 | 0.60 | 0.86 | 1.23 | 1.34 | 0.92 | 0.70 | 0.95 | 1.13 | 0.65 | 0.81 |
| ESTRADIOL 17 ALPHA | ME644399 | 1.28 | 1.20 | 1.29 | 1.19 | 0.99 | 1.06 | 1.46 | 1.29 | 0.75 | 0.80 | 1.06 | 1.25 | 0.87 | 0.86 | 1.31 | 1.27 | 0.79 | 0.77 | 1.09 | 1.00 | 0.81 | 0.82 |
| ENKEPHALINE, (D-ALA)2-LEU | ME644396 | 1.34 | 1.25 | 1.24 | 0.72 | 0.81 | 0.90 | 1.19 | 1.15 | 0.66 | 0.83 | 1.33 | 1.31 | 0.72 | 0.94 | 1.52 | 0.86 | 0.77 | 0.86 | 1.19 | 1.08 | 0.74 | 0.76 |
| TRANS-CYCLOHEXANE-1,2-DIOL | ME644633 | 1.47 | 1.22 | 1.36 | 0.60 | 0.79 | 0.67 | 1.17 | 1.09 | 0.58 | 0.71 | 1.16 | 1.03 | 0.75 | 0.69 | 0.97 | 1.03 | 0.66 | 0.80 | 1.03 | 1.06 | 0.92 | 0.74 |
| 2-AMINOPHENOL | ME644212 | 0.92 | 1.01 | 0.74 | 0.90 | 0.82 | 0.71 | 0.67 | 1.04 | 0.79 | 0.98 | 1.08 | 0.90 | 0.84 | 0.96 | 1.50 | 0.73 | 0.83 | 1.10 | 1.61 | 1.03 | 1.18 | NA |
| CYCLOHEXANE-1,3-DIONE | ME644351 | 1.12 | 0.79 | 0.53 | 0.87 | 0.67 | 1.13 | 0.49 | 1.70 | 0.98 | 0.69 | 0.85 | 1.09 | 0.95 | 0.74 | 2.00 | 1.31 | 0.78 | 0.59 | 2.25 | 1.26 | 0.57 | 0.70 |
| [13C]-ARGININE | ME644181 | 0.62 | 0.62 | 0.55 | 0.71 | 1.07 | 0.89 | 1.13 | 1.75 | 0.71 | 0.88 | 1.08 | 1.23 | 0.74 | 0.74 | 1.81 | 1.45 | 0.71 | 0.69 | 1.66 | 1.49 | 0.84 | 0.80 |
| [13C]-LYSINE | ME644187 | 1.01 | 0.94 | 0.97 | 0.60 | 0.66 | 0.61 | 1.18 | 1.40 | 0.59 | 0.63 | 1.21 | 1.34 | 0.65 | 0.65 | 2.00 | 1.87 | 0.67 | 0.66 | 1.49 | 1.57 | 0.62 | 0.70 |
| 4-QUINOLINECARBOXYLIC ACID | ME644265 | 1.56 | 0.94 | 0.69 | 1.67 | 1.65 | 0.40 | 1.44 | 1.06 | 0.48 | 0.48 | 0.61 | 2.37 | 0.84 | 0.93 | 0.46 | 0.40 | 1.09 | 0.75 | 0.64 | 0.86 | 0.87 | 0.92 |
| 2,3-DIAMINOPROPIONIC ACID | ME644202 | 1.19 | 0.91 | 1.55 | 1.99 | NA | 0.78 | 1.07 | 1.10 | 1.58 | 0.56 | 1.38 | 0.78 | 1.28 | 0.56 | 0.92 | 0.82 | 0.63 | 0.66 | 0.73 | 0.79 | 0.98 | 0.44 |
| GAMMA-GLUTAMYLMETHIONINE | ME644413 | 0.12 | 0.36 | 0.19 | 1.35 | 1.31 | 1.17 | 0.79 | 0.50 | 1.12 | 0.89 | 0.88 | 0.77 | 1.37 | 0.90 | 0.29 | 0.57 | 0.60 | 0.38 | 1.32 | 1.79 | 1.23 | 0.87 |
| CADAVERINE | ME644332 | 0.81 | 0.85 | 1.01 | 1.04 | 1.42 | 0.73 | 0.72 | 0.76 | 1.08 | NA | 1.28 | 1.17 | NA | 0.87 | 0.75 | 1.50 | 1.33 | 0.88 | 0.71 | 1.02 | 0.80 | 1.19 |
| N-CYCLOHEXYLFORMAMIDE | ME644524 | 0.77 | 0.63 | 0.58 | 1.71 | 1.05 | 1.95 | 0.78 | 0.19 | 1.14 | 0.53 | 1.74 | 1.25 | 1.02 | 0.93 | 1.04 | 0.53 | 1.06 | 1.42 | 0.80 | 0.72 | 1.38 | 1.06 |
| LYSINE | ME644481 | 0.46 | 0.49 | 0.47 | 0.72 | 0.64 | 0.78 | 0.69 | 0.54 | 1.18 | 1.23 | 1.99 | 1.61 | 1.31 | 1.32 | 1.30 | 0.91 | 1.36 | 1.28 | 0.50 | 0.50 | 1.40 | 1.38 |
| PYRIDOXAMINE | ME644588 | 0.57 | 0.65 | 0.56 | 0.87 | 0.47 | 0.63 | 0.64 | 0.56 | 1.20 | 1.34 | 1.95 | 1.51 | 1.41 | 1.41 | 1.18 | 0.73 | 1.39 | 1.32 | 0.47 | 0.46 | 1.38 | 1.38 |
| METHIONINE | ME644485 | 0.47 | 0.56 | 0.45 | 0.79 | 0.72 | 0.85 | 0.87 | 0.72 | 1.40 | 1.44 | 1.37 | 1.03 | 1.47 | 1.47 | 0.70 | 0.65 | 1.48 | 1.49 | 0.64 | 0.52 | 1.49 | 1.51 |
| TYROSINE | ME644639 | 0.50 | 0.59 | 0.51 | 0.78 | 0.79 | 1.11 | 1.07 | 0.75 | 1.21 | 1.25 | 1.38 | 1.19 | 1.32 | 1.21 | 0.92 | 0.81 | 1.32 | 1.30 | 0.74 | 0.77 | 1.30 | 1.27 |
| BIS(2-ETHYLHEXYL)PHTHALATE | ME644320 | 1.20 | 0.74 | 0.95 | 1.01 | 1.43 | 1.10 | 0.98 | 0.68 | 0.70 | 1.17 | 1.06 | 1.78 | 1.26 | 1.60 | 0.76 | 0.83 | 1.05 | 1.13 | 0.18 | 0.53 | 0.94 | 0.92 |
| 2,6-DIHYDROXYPYRIDINE | ME644205 | 0.36 | 0.50 | 0.44 | 1.31 | 1.42 | 1.45 | 0.86 | 0.86 | 0.85 | 0.73 | 0.54 | 0.75 | 0.97 | 0.82 | 1.34 | 1.09 | 1.42 | 0.84 | 1.41 | 1.18 | 1.16 | 1.27 |
| CYCLOHEXYLAMINE | ME644352 | 0.64 | NA | 0.74 | 1.18 | 1.07 | 1.38 | 1.03 | 1.02 | 1.21 | 1.14 | 1.40 | 0.66 | 1.26 | 1.13 | 0.61 | 1.10 | 0.95 | 0.87 | 0.83 | 0.75 | 0.59 | 1.11 |
| 5BETA-DIHYDROTESTOSTERONE | ME644271 | 0.48 | 0.49 | 0.46 | 1.53 | 1.66 | 1.44 | 0.78 | 0.84 | 1.19 | 1.18 | 0.77 | 0.82 | 1.36 | 1.27 | 0.83 | 0.65 | 1.25 | 1.20 | 0.72 | 0.65 | 1.05 | 1.33 |
| [13C]-LEUCINE | ME644186 | 1.07 | 0.78 | 0.86 | 1.19 | 1.35 | 1.21 | 0.83 | 0.82 | 1.12 | 1.15 | 0.71 | 0.66 | 1.18 | 1.15 | 0.84 | 0.78 | 1.14 | 1.19 | 0.83 | 0.80 | 1.15 | 1.19 |
| INDOXYL | ME644461 | 0.62 | 0.68 | 0.57 | 1.30 | 1.27 | 1.37 | 0.78 | 0.81 | 1.32 | 1.23 | 0.71 | 0.77 | 1.21 | 1.14 | 0.99 | 0.76 | 1.28 | 1.29 | 0.75 | 0.75 | 1.22 | 1.20 |
| URSODIOL | ME644648 | 0.63 | 0.77 | 0.79 | 1.17 | 1.14 | 1.11 | 0.75 | 0.92 | 1.25 | 1.30 | 0.63 | 0.59 | 1.13 | 1.23 | 0.80 | 0.72 | 1.23 | 1.30 | 0.84 | 0.68 | 1.47 | 1.30 |
| PIPERINE | ME644571 | 1.72 | 1.06 | 1.35 | 1.34 | 1.15 | 0.86 | 0.76 | 0.79 | 0.68 | 0.78 | 1.15 | 1.06 | 1.04 | 0.97 | 0.74 | 0.98 | 0.91 | 1.02 | 0.74 | 0.77 | 0.83 | 1.14 |
| 12-HYDROXY-DODECANOIC ACID | ME644197 | 0.67 | 0.99 | 1.03 | 1.04 | 0.99 | 0.78 | 0.97 | 1.15 | 0.99 | 0.99 | 0.96 | 1.00 | 1.05 | 0.94 | 0.98 | 1.10 | 1.10 | 1.04 | 0.99 | 0.92 | 1.24 | 1.14 |
| BOC-ASN | ME644324 | 1.16 | 1.14 | 1.12 | 0.87 | 1.04 | 0.94 | 1.06 | 1.08 | 0.86 | 0.89 | 1.01 | 1.01 | 0.87 | 0.85 | 1.02 | 0.98 | 1.01 | 1.00 | 1.04 | 1.01 | 1.02 | 1.02 |
| BOC-ASP-OH | ME644325 | 1.09 | 1.12 | 1.03 | 0.92 | 0.94 | 1.07 | 1.07 | 1.09 | 0.96 | 1.03 | 0.93 | 0.94 | 0.87 | 0.89 | 1.02 | 0.96 | 1.09 | 1.16 | 0.98 | 0.97 | 0.89 | 0.96 |
| DEOXYCORTICOSTERONE ACETATE | ME644367 | 1.02 | 0.91 | 0.99 | 0.97 | 1.10 | 0.94 | 0.86 | 1.00 | 1.04 | 1.28 | 0.81 | 1.00 | 1.09 | 1.16 | 1.08 | 0.93 | 0.93 | 1.05 | 0.84 | 0.97 | 1.16 | 0.93 |
| [13C]-PHENYLALANINE | ME644188 | 0.90 | 0.93 | 0.88 | 1.03 | 1.17 | 1.04 | 0.91 | 1.09 | 1.03 | 1.05 | 0.78 | 0.86 | 1.07 | 1.07 | 0.93 | 0.98 | 1.05 | 1.09 | 1.12 | 1.02 | 0.88 | 1.12 |
| METHYL JASMONATE | ME644490 | 0.98 | 1.06 | 1.07 | 0.93 | 1.02 | 0.97 | 0.92 | 1.10 | 1.02 | 1.09 | 0.84 | 0.81 | 0.98 | 1.02 | 0.98 | 1.10 | 1.06 | 1.06 | 0.97 | 0.94 | 1.03 | 1.05 |
| [13C]-ASPARTIC ACID | ME644182 | 0.94 | 0.87 | 0.91 | 1.40 | 1.42 | 1.33 | 1.06 | 0.84 | 0.89 | 0.87 | 0.97 | 0.84 | 0.92 | 0.90 | 0.94 | 1.11 | 1.02 | 0.90 | 1.07 | 0.89 | 0.88 | 1.01 |
| N-ACETYL-L-LEUCINE | ME644515 | 1.45 | 1.06 | 1.10 | 1.47 | 1.50 | 1.55 | 0.84 | 0.90 | 0.80 | 0.86 | 0.74 | 0.75 | 0.92 | 1.00 | 1.15 | 0.68 | 0.94 | 0.87 | 0.81 | 0.80 | 0.90 | 0.88 |
| 4-METHYLCATECHOL | ME644262 | 0.94 | 0.78 | 1.14 | 2.19 | 0.86 | NA | 0.59 | 1.42 | 1.01 | 0.48 | 0.52 | 0.06 | 1.46 | 0.61 | 1.13 | 0.85 | 0.74 | 1.01 | 0.78 | 0.54 | 2.19 | 1.49 |
| HYDROQUINONE | ME644453 | 1.08 | 0.75 | 0.53 | 2.39 | 0.79 | 1.61 | 1.34 | 1.56 | 0.34 | 0.91 | 0.45 | 0.78 | 0.32 | 1.24 | 0.81 | 0.84 | 0.69 | 1.34 | 0.81 | 0.54 | 2.17 | 0.69 |
| ADP-RIBOSE | ME644294 | 1.44 | 1.20 | 1.39 | 0.26 | 0.34 | 0.37 | 0.93 | 1.27 | 1.30 | 0.31 | 0.86 | 0.63 | NA | 1.93 | 0.54 | 1.70 | 0.46 | 0.78 | 0.52 | 0.87 | NA | NA |
| GLYCOLITHOCHOLIC ACID ETHYL ESTER | ME644435 | 1.22 | 0.59 | 1.28 | 1.12 | NA | 1.18 | 1.84 | 0.96 | 1.03 | 1.57 | NA | NA | NA | 0.78 | NA | 1.10 | 0.49 | 1.06 | NA | 0.66 | 0.93 | 0.65 |
| SALSOLINOL | ME644604 | 1.17 | 1.12 | 0.76 | 1.04 | 1.00 | 1.86 | 1.28 | 1.00 | 0.73 | 0.68 | NA | NA | 1.05 | 0.78 | 1.13 | 1.44 | 0.81 | 0.65 | NA | 0.26 | 0.85 | 0.57 |
| UROCANATE | ME644647 | 0.96 | 2.90 | 0.83 | 0.71 | 1.00 | 0.86 | NA | 1.39 | 0.26 | 0.21 | NA | NA | 0.58 | 0.71 | 1.54 | NA | 0.93 | NA | 2.51 | NA | NA | NA |
| ADENOSINE 2^,3^-CYCLIC MONOPHOSPHATE | ME644288 | 3.98 | 2.83 | NA | 0.49 | 0.32 | 0.43 | NA | 0.56 | 0.50 | 0.76 | 0.69 | 0.42 | 0.83 | 0.69 | 0.60 | NA | NA | 0.72 | 0.57 | 1.96 | 0.82 | 0.50 |
| DETHIOBIOTIN | ME644370 | 2.38 | 1.97 | NA | 0.99 | 0.90 | 1.21 | NA | NA | 0.81 | 1.13 | NA | NA | 0.90 | 0.95 | 1.21 | NA | 0.85 | 0.93 | 0.86 | 1.17 | 0.96 | 0.87 |
Factors:
| F1 | Cell type:293T | Material:Cells | Treatment:K210R NPM-ALK tf |
| F2 | Cell type:293T | Material:Cells | Treatment:No transfection |
| F3 | Cell type:293T | Material:Cells | Treatment:WT NPM-ALK tf |
| F4 | Cell type:293T | Material:Media | Treatment:K210R NPM-ALK tf |
| F5 | Cell type:293T | Material:Media | Treatment:No transfection |
| F6 | Cell type:293T | Material:Media | Treatment:WT NPM-ALK tf |
| F7 | Cell type:DEL | Material:Cells | Treatment:CEP-26939 |
| F8 | Cell type:DEL | Material:Cells | Treatment:DMSO |
| F9 | Cell type:DEL | Material:Media | Treatment:CEP-26939 |
| F10 | Cell type:DEL | Material:Media | Treatment:DMSO |
| F11 | Cell type:SR786 | Material:Cells | Treatment:CEP-26939 |
| F12 | Cell type:SR786 | Material:Cells | Treatment:DMSO |
| F13 | Cell type:SR786 | Material:Media | Treatment:CEP-26939 |
| F14 | Cell type:SR786 | Material:Media | Treatment:DMSO |
| F15 | Cell type:SUDHL-1 | Material:Cells | Treatment:CEP-26939 |
| F16 | Cell type:SUDHL-1 | Material:Cells | Treatment:DMSO |
| F17 | Cell type:SUDHL-1 | Material:Media | Treatment:CEP-26939 |
| F18 | Cell type:SUDHL-1 | Material:Media | Treatment:DMSO |
| F19 | Cell type:SUPM2 | Material:Cells | Treatment:CEP-26939 |
| F20 | Cell type:SUPM2 | Material:Cells | Treatment:DMSO |
| F21 | Cell type:SUPM2 | Material:Media | Treatment:CEP-26939 |
| F22 | Cell type:SUPM2 | Material:Media | Treatment:DMSO |