Data for ST001683
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 | F21 | F22 | F23 | F24 | F25 | F26 | F27 | F28 | F29 | F30 | F31 | F32 | F33 | F34 | F35 | F36 | F37 | F38 | F39 | F40 | F41 | F42 | F43 | F44 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 18945.00 | 27054.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 1,3-DIAMINOPROPANE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4211.71 | 181597.60 | 4144.50 | 5193.71 | 157541.00 | 3004.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE, 2-PHENYLACETAMIDE, N-BENZ... | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 28693.33 | 22867.25 | 20950.00 | 2822.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID | 18108.78 | 27724.89 | 110091.78 | 16125.00 | 16844.67 | 69353.33 | 55228.88 | 24243.50 | 83780.40 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 34546.00 | 30020.25 | 44226.25 | - | - | - | |
| 1-HYDROXY-2-NAPHTHOIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 9186.71 | 892.00 | 2173.50 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 1-METHYLGUANIDINE | - | - | - | - | - | - | 14855.62 | 10595.33 | 9778.00 | - | - | - | 127463.33 | 108337.50 | 160209.67 | 94203.25 | 23136.33 | 40935.25 | 1042360.00 | 2000947.50 | 790052.71 | 755885.60 | 796651.75 | 826431.14 | 673514.80 | 772053.75 | 793149.71 | 405331.80 | 731054.25 | 15610970.75 | 13334084.70 | 7890839.75 | 18856.00 | 17953.75 | 16600.00 | 14381.40 | 13860.25 | 10631.75 | - | - | - | 62048.00 | 51466.67 | 63053.33 | |
| 1-METHYLNICOTINAMIDE | 229717.67 | 92935.11 | 117997.89 | 284635.00 | 108445.67 | 91506.67 | 184755.75 | 161688.50 | 229900.00 | - | - | - | 155334.67 | 423816.50 | 203262.00 | 456154.25 | 261055.00 | 187098.75 | 6483925.00 | 9467701.25 | 2363685.83 | 2049460.80 | 964588.12 | 2092899.33 | 2194710.10 | 924363.00 | 876746.50 | 647888.50 | 668056.75 | 21409462.33 | 27183773.30 | 15989223.38 | 1369725.40 | 549743.25 | 743133.50 | 1135733.20 | 475347.75 | 678996.25 | 167370.60 | 168488.25 | 171336.50 | 7599681.50 | 7162055.00 | 6258771.33 | |
| 1-OLEOYL-RAC-GLYCEROL | - | - | - | - | - | - | 36896.62 | 26127.00 | 85396.40 | - | - | - | 8932.67 | 1379.75 | 11913.33 | 1277.00 | - | - | - | - | - | - | - | - | - | - | 494886.67 | 232654.60 | 362947.62 | - | - | - | - | - | - | - | - | - | 156699.20 | 293495.25 | 278509.75 | - | - | - | |
| 25-HYDROXYCHOLESTEROL | - | - | - | - | - | - | 10209.00 | 10236.67 | 13593.20 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 12679.40 | 23239.75 | 14464.50 | - | - | - | |
| 2-AMINO-2-METHYLPROPANOIC ACID | - | - | - | - | - | - | - | - | - | 53876.29 | 44989.00 | 40486.67 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-AMINOPHENOL | - | - | - | - | - | - | - | - | - | - | - | - | 30597.67 | 38421.00 | 22175.33 | 32303.00 | - | - | 60365.33 | 38303.25 | - | - | - | - | - | - | - | - | - | 113209.42 | 56688.90 | 46877.50 | 15202.20 | 16918.00 | 14485.25 | 20199.40 | 18559.75 | 18783.00 | - | - | - | 21860.75 | 10885.00 | 11962.00 | |
| 2-DEOXY-GLUCOSE, 6-DEOXY-GALACTOSE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1321.00 | 410.25 | 840.50 | 4351.40 | 9999.50 | 17827.75 | - | - | - | 2070.25 | 701.67 | 8643.33 | |
| 2^-DEOXYGUANOSINE 5^-MONOPHOSPHATE | - | - | - | - | - | - | 17147.60 | 52917.50 | 10877.20 | - | - | - | - | - | - | - | 20287.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-FLUROPHENYLGLYCINE | - | - | - | - | - | - | - | - | - | 91614.86 | 93637.50 | 82832.33 | 134032.67 | 101771.75 | 182698.33 | 111411.50 | 140865.00 | 159475.75 | 117363.67 | 107488.25 | 227549.17 | 167105.90 | 168528.88 | 178524.33 | 144666.20 | 148631.62 | 91435.60 | 86222.40 | 103897.75 | 100837.00 | 109397.40 | 86343.75 | 1071553.20 | 1167434.50 | 1208566.00 | 1292186.00 | 1103038.25 | 1317055.00 | - | - | - | - | - | - | |
| 2-METHOXYCINNAMALDEHYDE | - | - | - | - | - | - | 9447.25 | 7718.43 | 15390.40 | - | - | - | - | - | - | - | 16294.67 | 18537.25 | - | - | 22703.14 | 17761.20 | 12441.75 | 24941.43 | 30096.80 | 31150.00 | 13766.00 | 11522.40 | 16842.50 | 13041.86 | 9216.20 | 5542.25 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-(4-HYDROXYPHENYL)PROPIONIC ACID, METHYL 4-HYDROXYPHENYLACE... | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 11768.57 | 22741.80 | 10093.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3,5-DIMETHOXYPHENOL | 6702.78 | 4897.33 | 5047.56 | 5965.00 | 5649.33 | 1714.33 | - | - | - | 6889.43 | 6289.83 | 8006.00 | 11808.67 | 6094.00 | 3414.67 | 5027.50 | 21064.67 | 16861.75 | - | - | 15873.57 | 18838.80 | 15528.75 | 7894.42 | 12202.80 | 11232.25 | 11329.58 | 13646.70 | 10280.12 | - | - | - | - | - | - | - | - | - | - | - | - | 3129.75 | 1668.67 | 4479.67 | |
| 3-AMINOISOBUTANOIC ACID | - | - | - | - | - | - | - | - | - | 38911.71 | 41604.83 | 39727.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-CHLORO-TYROSINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 28557.86 | 24375.80 | 23803.50 | 17911.71 | 19933.60 | 15343.75 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-HYDROXYANTHRANILIC ACID, SALICYLHYDROXAMIC ACID | - | - | - | - | - | - | 5640.75 | 2820.25 | 19547.80 | - | - | - | 24718.00 | 26215.50 | 29034.33 | 20234.25 | - | - | - | - | - | - | - | - | - | - | 16347.43 | 22039.40 | 13041.50 | - | - | - | 22977.00 | 21972.75 | 19391.50 | 11630.40 | 16601.25 | 11837.50 | - | - | - | - | - | - | |
| 3-HYDROXYBUTYRIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | 16830.67 | 1750.75 | 8798.00 | 4442.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-HYDROXYPHENYLACETIC ACID | - | - | - | - | - | - | - | - | - | 6618.71 | 4769.67 | 8697.67 | - | - | - | - | - | - | 9645.67 | 11417.75 | - | - | - | - | - | - | 182271.60 | 199289.60 | 202894.75 | - | - | - | 14814.60 | 13266.75 | 17327.25 | 14016.40 | 13137.25 | 16877.50 | - | - | - | 2570.25 | 1711.67 | 2587.33 | |
| 3-METHYLADENINE | - | - | - | - | - | - | - | - | - | 25078.00 | 24599.67 | 23658.33 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 93911.58 | 79718.60 | 48844.25 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-METHYLSALICYLIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 26731.29 | 28423.00 | 17409.50 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-ACETAMIDOPHENOL | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 23968.00 | 10987.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-BROMO-PHENYLALANINE | 157636.67 | 155749.11 | 176906.67 | 161797.00 | 163124.33 | 162650.33 | 251812.25 | 274732.00 | 409741.00 | 177224.00 | 172340.50 | 166966.67 | 490440.00 | 492813.00 | 520300.33 | 516155.75 | 528812.67 | 598251.50 | 524297.67 | 580015.00 | 876419.58 | 797643.20 | 795183.50 | 873218.42 | 767113.00 | 800017.75 | 885326.17 | 787481.30 | 854655.75 | 854663.92 | 791968.20 | 767469.38 | 888027.20 | 880665.00 | 851726.00 | 890919.00 | 885374.00 | 860908.50 | 197456.20 | 183342.75 | 194483.75 | 156842.00 | 155348.00 | 158471.67 | |
| 4-CHLORO-PHENYLALANINE | 169249.56 | 170354.56 | 196309.67 | 162143.50 | 174320.00 | 178050.33 | 413149.25 | 344193.00 | 703769.40 | 309033.57 | 300357.33 | 280838.67 | 316687.33 | 345689.75 | 319837.33 | 363850.50 | 714445.00 | 828131.25 | 748213.33 | 842421.00 | 629413.75 | 572481.10 | 551514.50 | 614876.50 | 520341.50 | 554907.12 | 1130792.67 | 917065.10 | 1096166.88 | 1017359.58 | 952184.50 | 910796.88 | 5050778.00 | 5185694.75 | 5048499.00 | 5424129.60 | 5206016.75 | 5254338.25 | 328437.40 | 293422.25 | 326757.25 | 264853.00 | 268347.33 | 263779.33 | |
| 4-GUANIDINOBUTANOIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | 93109.33 | 1177111.50 | 97781.67 | 965691.00 | 283073.67 | 499055.00 | 3303955.67 | 4461353.25 | 1345607.75 | 684441.30 | 1143361.50 | 1262112.08 | 322450.90 | 901479.62 | 1012258.71 | 1027188.80 | 900004.50 | 6437501.83 | 13535567.30 | 4098377.75 | - | - | - | - | - | - | 148016.20 | 88861.25 | 157373.75 | 1829486.75 | 1366949.33 | 1478275.67 | |
| 4-HYDROXYBENZALDEHYDE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 18822.43 | 13878.00 | 12602.00 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-HYDROXYPHENYL-D4-ALANINE | - | - | - | - | - | - | - | - | - | - | - | - | 35608.00 | 31717.75 | 59566.33 | 34548.50 | 10775.33 | 11020.75 | 22819.00 | 25480.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-HYDROXYPROLINE | - | - | - | - | - | - | - | - | - | - | - | - | 99225.33 | 364092.00 | 139180.67 | 309301.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4-IMIDAZOLEACETIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | 3042.33 | 8892.25 | 13947.67 | 9546.50 | - | - | 475371.00 | 735981.00 | - | - | - | - | - | - | - | - | - | 511001.67 | 603940.00 | 376021.38 | 19051.20 | 33639.50 | 16339.25 | 14883.20 | 22490.25 | 8123.25 | - | - | - | 242025.00 | 259609.00 | 345357.67 | |
| 4-VINYL PHENOL | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 38127.00 | 36154.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 5,6-DIHYDRO THYMINE | 27008.67 | 19332.00 | 16722.78 | 9007.50 | 6462.00 | 7739.67 | - | - | - | - | - | - | 12513.33 | 41219.00 | 15722.67 | 17332.75 | - | - | - | - | 75206.29 | 186235.60 | 79094.00 | - | - | - | - | - | - | - | - | - | 118190.20 | 109965.00 | 100853.50 | 18654.40 | 31451.50 | 13889.00 | - | - | - | - | - | - | |
| 5-HYDROXYINDOLE | - | - | - | - | - | - | 30398.25 | 38752.67 | 262.00 | 1340148.00 | 1420884.17 | 8923.67 | 13944.67 | 2396.25 | 12819.00 | 1976.00 | - | - | 891400.00 | 3758.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 154136.50 | 1413.67 | 1323.00 | |
| 5-HYDROXYLYSINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 15479.43 | 20393.00 | 16522.00 | 13576.29 | 14158.80 | 12349.00 | 18041.57 | 13703.20 | 16576.00 | - | - | - | 30423.80 | 16737.00 | 22237.00 | 26832.40 | 15060.75 | 17441.25 | - | - | - | - | - | - | |
| 5-METHOXY-3-INDOLEACETIC ACID | 18839.33 | 10623.78 | 20084.67 | 12289.50 | 5368.33 | 19586.00 | - | - | - | 20200.57 | 15286.50 | 15551.67 | 14041.33 | 39656.00 | 12483.67 | 23849.00 | 17512.33 | 5251.50 | 12229.00 | 27379.25 | 58279.58 | 80552.20 | 58927.62 | 38940.42 | 16862.90 | 20358.12 | - | - | - | 89129.14 | 106845.60 | 52569.00 | 160123.00 | 147826.25 | 117935.00 | 16678.60 | 32770.50 | 15741.25 | - | - | - | 10410.75 | 11094.33 | 13808.67 | |
| 5-METHYLCYTOSINE | 1606.78 | 2461.44 | 18145.44 | 438.50 | 2898.67 | 16224.33 | - | - | - | 89797.29 | 91078.83 | 65159.00 | 15885.67 | 115704.00 | 39459.33 | 136313.75 | - | - | - | - | 150601.92 | 30437.70 | 144174.50 | 150580.33 | 16002.40 | 164411.00 | - | - | - | 174403.00 | 159174.40 | 118985.25 | 11159.60 | 21616.25 | 78537.75 | 4442.80 | 13750.75 | 71453.75 | - | - | - | 39202.75 | 37004.00 | 38780.33 | |
| 5-VALEROLACTONE | 15248.89 | 13449.00 | 12764.67 | 16095.50 | 15700.33 | 10809.67 | 15497.00 | 32038.86 | 26439.60 | - | - | - | 43812.00 | 9788.25 | 29808.67 | 9177.75 | - | - | - | - | 53754.67 | 44820.40 | 40485.75 | 35576.25 | 55109.30 | 61034.62 | - | - | - | 31509.20 | 25313.40 | 29836.50 | 8724.20 | 15310.75 | 6325.25 | 13421.40 | 31200.25 | 19903.50 | - | - | - | - | - | - | |
| 8-AMINOOCTANOIC ACID | - | - | - | - | - | - | 209903.12 | 85303.67 | 244714.20 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ACETYL-CARNITINE | 442.78 | 1430.78 | 21119.56 | 309.00 | 6831.00 | 59261.00 | 49354.25 | 21414.00 | 153438.20 | - | - | - | 187426.00 | 188317.75 | 17620.67 | 113897.75 | 9056505.33 | 10836809.75 | 673708.67 | 1087464.50 | 619482.83 | 184628.20 | 627798.25 | 400340.33 | 69618.80 | 243409.25 | 25162603.25 | 19698396.80 | 20433232.25 | 1490306.17 | 1320825.10 | 929930.38 | - | - | - | - | - | - | - | - | - | - | - | - | |
| ACETYLCHOLINE | 42221.56 | 45675.67 | 20261.33 | 112495.50 | 65279.00 | 47189.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 454996.86 | 634151.20 | 411387.50 | 279954.43 | 584498.00 | 146241.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ADENINE | 20712.33 | 19538.89 | 3137.44 | 18196.00 | 13450.00 | 1831.67 | - | - | - | - | - | - | - | - | - | - | 56502.67 | 2071.25 | 27238.33 | 20287.00 | 176702.29 | 172219.60 | 27152.50 | 92357.86 | 128124.80 | 39465.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ADENOSINE | - | - | - | - | - | - | - | - | - | 29242.29 | 30469.67 | 30667.33 | - | - | - | - | - | - | - | - | 4756.57 | 47655.00 | 3300.50 | - | - | - | - | - | - | 106271.33 | 127654.50 | 83378.75 | - | - | - | - | - | - | - | - | - | - | - | - | |
| ADIPIC ACID | 34364.44 | 31297.22 | 28757.56 | 36112.50 | 35919.67 | 22965.00 | 72475.00 | 40062.86 | 105544.80 | 73919.29 | 75762.83 | 71160.00 | 28713.00 | 32130.25 | 24368.33 | 35476.75 | 26891.67 | 21729.00 | 38755.33 | 35122.25 | 104542.83 | 90220.40 | 101272.38 | 108890.29 | 96319.80 | 135363.50 | 97131.17 | 63333.60 | 94965.00 | 89002.00 | 73438.20 | 99913.88 | 18372.40 | 21391.25 | 15160.75 | 16256.60 | 45108.50 | 24747.00 | 10808.80 | 11937.50 | 12235.75 | 8500.00 | 7102.67 | 10034.67 | |
| AGMATINE | 13611.89 | 20745.33 | 1990.11 | 3416.50 | 1487.33 | 1410.00 | - | - | - | - | - | - | - | - | - | - | - | - | 11933.33 | 25870.25 | 31960.08 | 131588.30 | 14004.25 | 29533.58 | 104608.80 | 14002.62 | 23804.00 | 25815.80 | 33753.00 | 78550.67 | 126839.40 | 38458.25 | 45866.40 | 24327.00 | 7228.00 | 15586.60 | 19119.50 | 3590.75 | - | - | - | 8047.25 | 19038.67 | 9398.67 | |
| ALANINE | 63756.33 | 82677.22 | 47389.67 | 64533.50 | 64008.33 | 34459.00 | - | - | - | 70994.86 | 55741.00 | 49363.00 | 1463202.67 | 889227.00 | 1272710.33 | 518145.50 | 925181.33 | 1106493.25 | 589870.67 | 716079.00 | 3349112.92 | 2263946.70 | 2217929.62 | 2030255.42 | 1237345.20 | 890115.12 | 1840134.25 | 1211418.50 | 1807986.00 | 887089.50 | 804496.50 | 504936.38 | 49870.80 | 46555.25 | 61240.00 | 23366.60 | 20780.25 | 27249.50 | 145274.80 | 129045.75 | 141038.50 | - | - | - | |
| ALLO-ISOLEUCINE, ISOLEUCINE | 319523.89 | 378159.11 | 324923.33 | 342881.00 | 173648.00 | 200460.33 | 569790.25 | 237433.71 | 1149672.20 | - | - | - | 3852893.33 | 3903957.75 | 5410502.33 | 2303020.75 | 2875616.33 | 2477404.50 | 389408.67 | 155108.50 | 8025206.58 | 5957266.00 | 5713775.50 | 4664102.50 | 4271974.20 | 2437472.12 | 2877163.50 | 2364533.90 | 2918888.25 | - | - | - | 2034513.80 | 1672026.50 | 2559462.75 | 398944.40 | 536555.50 | 969797.50 | 458378.80 | 425741.75 | 487251.75 | 311148.75 | 372312.33 | 447003.00 | |
| ALLOTHREONINE, HOMOSERINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1758098.40 | 174084.00 | 1860759.50 | 1688057.40 | 90860.40 | 1684135.00 | 161523.40 | 141817.80 | 153856.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ALPHA-AMINOADIPIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 121012.71 | 135724.00 | 92202.25 | 86888.14 | 134698.60 | 87548.25 | 91774.43 | 60381.60 | 54017.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ALPHA-N-ACETYL-GLUTAMINE | - | - | - | - | - | - | - | - | - | 68952.57 | 70329.50 | 57090.33 | - | - | - | - | - | - | 45632.67 | 83641.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ANDROSTERONE | - | - | - | - | - | - | - | - | - | - | - | - | 7982.00 | 12782.25 | 10477.67 | 12308.75 | 41219.00 | 32854.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ARABITOL | - | - | - | - | - | - | 29050.88 | 32956.67 | 50571.40 | - | - | - | - | - | - | - | - | - | - | - | 21940.30 | 50996.80 | 44960.88 | - | - | - | 55711.42 | 52709.40 | 49722.88 | 50697.57 | 61607.20 | 63772.75 | 121904.40 | 146271.50 | 120239.25 | 165741.40 | 150832.00 | 139160.25 | - | - | - | - | - | - | |
| ARGININE | 505255.67 | 841340.11 | 984773.89 | 423776.50 | 515859.33 | 695534.33 | 1637891.50 | 704123.43 | 2513114.40 | 46003.43 | 50027.17 | 142582.00 | 3923585.67 | 4164878.50 | 1716458.67 | 2652126.00 | 2948835.67 | 3118192.25 | 117319.00 | 137703.75 | 9792602.50 | 10292760.60 | 7622102.25 | 6707362.75 | 7849996.70 | 4427696.75 | 6525213.17 | 4747136.00 | 4593757.62 | 430453.75 | 809235.40 | 179329.88 | 3174867.80 | 1624630.50 | 2836250.00 | 1222476.60 | 505291.00 | 1054133.75 | 1229740.40 | 1127083.25 | 1554260.50 | 55492.50 | 93069.33 | 54996.00 | |
| ASPARAGINE | 3392.56 | 5009.22 | 127789.56 | 11624.00 | 9477.67 | 73846.33 | 27608.12 | 21185.00 | 37458.40 | 10450.14 | 10159.00 | 11131.67 | 131760.00 | 374606.25 | 24075.00 | 234441.75 | 26953.00 | 45155.00 | 22170.33 | 24288.75 | 1805109.67 | 124405.00 | 1199786.25 | 1386762.00 | 92828.70 | 806930.62 | 125656.58 | 74942.50 | 114535.50 | 80512.14 | 92591.20 | 40149.00 | 48340.80 | 225601.50 | 593860.75 | 18818.20 | 143862.00 | 263537.00 | 20826.60 | 20477.75 | 25636.50 | - | - | - | |
| ASPARTIC ACID | 38916.11 | 49678.33 | 28217.22 | 37492.00 | 35096.33 | 19359.67 | 10470.75 | 6690.00 | 20481.00 | - | - | - | 371438.67 | 142058.50 | 166278.67 | 90176.00 | 11235.67 | 18427.50 | - | - | 256852.83 | 202063.80 | 269083.12 | 171169.25 | 64814.70 | 164362.50 | 47444.29 | 23228.60 | 63857.75 | - | - | - | 223293.00 | 194920.50 | 162626.75 | 47855.40 | 101820.50 | 67137.50 | - | - | - | - | - | - | |
| ASP-PHE | 2857.56 | 4031.11 | 113739.44 | 2213.00 | 3519.67 | 98768.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 861665.43 | 36852.60 | 899338.25 | - | - | - | - | - | - | - | - | - | 513225.80 | 570164.75 | 484553.25 | 560193.20 | 559818.50 | 500273.25 | - | - | - | 60705.25 | 40918.00 | 60067.00 | |
| BETA-ALANINE, SARCOSINE | - | - | - | - | - | - | 185529.75 | 92063.80 | 213709.40 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 79794.75 | 50343.67 | 80968.00 | |
| BETAINE | 403981.89 | 315772.44 | 288936.56 | 486145.50 | 453073.33 | 318304.67 | 14130618.75 | 6110578.71 | 16471655.60 | 4413098.29 | 2341983.67 | 2810125.00 | 480865.67 | 1182219.00 | 787230.67 | 1174879.25 | 25061688.67 | 21589583.50 | 18012852.67 | 10681850.25 | 2346651.92 | 2600451.90 | 2162014.62 | 2495495.75 | 2317547.70 | 1909248.00 | 47194077.92 | 40353451.00 | 39209296.88 | 23467543.58 | 21706038.60 | 12670237.38 | 1633102.40 | 1737425.50 | 1585083.25 | 1354369.40 | 3397060.00 | 1932145.50 | 12714720.80 | 11463257.75 | 13291123.00 | 4970542.50 | 2896523.33 | 3008198.67 | |
| BETA-LACTOSE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1597.60 | 231933.00 | 250246.00 | 560.20 | 233839.25 | 236130.25 | - | - | - | - | - | - | |
| BILIVERDIN | 2641.78 | 21271.22 | 2356.89 | 2413.00 | 22125.33 | 5349.00 | - | - | - | - | - | - | 6178.00 | 4399.75 | 4399.33 | 11080.25 | - | - | - | - | - | - | - | 18223.57 | 49891.40 | 14608.75 | - | - | - | - | - | - | 34148.60 | 57085.75 | 10304.25 | 13428.40 | 42805.25 | 8957.25 | - | - | - | - | - | - | |
| CADAVERINE | 441444.89 | 479331.89 | 2434.56 | 464803.00 | 561539.67 | 1439.67 | - | - | - | 4283.57 | 2176.33 | 1549.33 | 12951.67 | 4443.25 | 17915.67 | 3766.75 | - | - | 39400.33 | 305825.25 | 75151.83 | 1010850.80 | 28203.38 | 65726.33 | 275060.20 | 28891.12 | - | - | - | 390169.58 | 210272.80 | 75483.62 | 46675.60 | 219832.75 | 27062.50 | 47941.80 | 195141.75 | 37043.00 | - | - | - | 58924.25 | 166568.00 | 92576.00 | |
| CANRENONE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 13962.71 | 12741.40 | 17171.75 | - | - | - | 21406.83 | 14680.70 | 22206.38 | - | - | - | - | - | - | - | - | - | 9944.40 | 6172.75 | 15425.25 | - | - | - | |
| CAPRYLOYL GLYCINE | - | - | - | - | - | - | 44064.50 | 21798.83 | 67281.40 | - | - | - | - | - | - | - | 28095.00 | 18763.75 | 29550.67 | 16942.75 | - | - | - | - | - | - | 111021.42 | 127844.90 | 104079.00 | 98758.86 | 108518.40 | 56187.25 | - | - | - | - | - | - | - | - | - | 18847.25 | 17468.33 | 19412.67 | |
| CARNITINE | 132033.22 | 152640.56 | 139421.56 | 114702.00 | 170120.33 | 142515.67 | - | - | - | - | - | - | 89890.00 | 142815.50 | 72653.67 | 140464.75 | 1628670.67 | 1344005.75 | 5426454.67 | 5785235.00 | 1451615.17 | 1381204.00 | 1105515.25 | 1419433.92 | 464482.10 | 1085143.00 | 3557075.40 | 3470629.80 | 3444240.25 | 25688086.00 | 25817366.20 | 15231243.62 | 467115.40 | 345123.75 | 649758.00 | 406331.20 | 267738.50 | 547419.00 | - | - | - | - | - | - | |
| CARNITINE-TRIMETHYL-D9 | 970233.89 | 858456.56 | 1111109.67 | 1135764.50 | 1082643.00 | 1460203.67 | - | - | - | - | - | - | 558489.33 | 742361.75 | 772049.00 | 1078759.50 | 151392.33 | 133393.00 | 2504631.67 | 3269606.25 | 12943797.33 | 11065210.80 | 10853667.50 | 16585991.50 | 14541042.20 | 15834236.88 | 1365765.00 | 1300285.40 | 1474172.50 | 29159126.50 | 25943739.90 | 27811527.00 | 3744465.80 | 3865537.75 | 3923885.25 | 5669469.80 | 4786018.00 | 5238235.00 | - | - | - | 1483324.00 | 1612824.67 | 1617023.33 | |
| CARNOSINE | 3839.56 | 4675.56 | 2210.22 | 2826.00 | 3431.33 | 2514.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 39742.83 | 33922.60 | 26758.00 | - | - | - | 16373.14 | 13947.80 | 16666.50 | - | - | - | 24090.00 | 23513.00 | 17518.25 | 11871.80 | 13803.50 | 11345.00 | - | - | - | - | - | - | |
| CARVONE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 40100.00 | 35648.25 | - | - | - | - | - | - | - | - | 14899.00 | 15920.60 | 16836.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| CATECHOL | 13732.67 | 12871.33 | 11273.44 | 15105.50 | 14715.67 | 9938.67 | - | - | - | 16505.00 | 16854.83 | 17426.67 | 17417.33 | 15509.50 | 15478.33 | 16153.25 | 31197.00 | 29592.75 | 19326.33 | 22038.50 | 14926.00 | 15615.60 | 12343.50 | 19512.40 | 18740.80 | 19268.00 | 27071.83 | 19469.80 | 24758.38 | 45388.86 | 35100.60 | 36861.25 | 10171.60 | 9885.25 | 8829.25 | 12756.40 | 28664.50 | 17787.75 | - | - | - | - | - | - | |
| CHOLINE | 67728163.56 | 11996751.00 | 28717794.67 | 76747496.00 | 12727999.00 | 25902742.67 | 17538288.50 | 6697743.00 | 23833092.40 | - | - | - | - | - | - | - | 18798141.00 | 23016064.50 | 16291725.33 | 16982053.50 | 141596425.60 | 127249305.60 | 70089681.00 | 142086582.40 | 125119553.60 | 67911751.00 | 42377864.00 | 43640393.60 | 44431781.00 | 52794912.00 | 62992016.80 | 33705023.25 | 151630406.40 | 25152315.00 | 82533604.00 | 161697504.00 | 12175179.25 | 83010077.00 | 17451497.20 | 9462781.00 | 16892959.00 | 11706515.75 | 10647859.67 | 9666991.67 | |
| CINNAMIC ACID | 17784.11 | 13379.56 | 18753.78 | 18563.00 | 23444.00 | 18162.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 26408.33 | 28433.10 | 19278.62 | - | - | - | - | - | - | 4013.60 | 3402.75 | 4213.25 | 9858.40 | 6072.00 | 10861.25 | - | - | - | - | - | - | |
| CITRULLINE | 108660.00 | 136693.11 | 15095.22 | 53722.50 | 109705.33 | 10403.00 | 167802.75 | 110464.25 | 402778.40 | - | - | - | 651255.67 | 62065.50 | 562545.33 | 42816.25 | 318183.33 | 419338.25 | - | - | 285398.86 | 491021.80 | 205829.25 | 251126.00 | 413081.20 | 176885.00 | 1056679.92 | 643065.90 | 1081053.25 | - | - | - | 39036.60 | 34308.00 | 89568.00 | 30122.60 | 16350.75 | 55151.25 | 192163.60 | 156757.25 | 220371.50 | - | - | - | |
| CORTICOSTERONE, REICHSTEIN^S SUBSTANCE S | 142843.44 | 151600.67 | 45894.22 | 106045.50 | 16248.00 | 652162.67 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| CORTISOL | - | - | - | - | - | - | - | - | - | - | - | - | 37699.33 | 85439.75 | 13435.67 | 21698.50 | - | - | - | - | 35194.20 | 18456.40 | 26697.50 | 14667.00 | 13732.20 | 8314.00 | - | - | - | - | - | - | 36001.80 | 56506.50 | 37312.50 | 8295.00 | 14366.50 | 21810.25 | - | - | - | - | - | - | |
| CORTISONE | 14375.89 | 12326.89 | 15401.56 | 14325.50 | 12289.00 | 12878.33 | 10630.00 | 6457.29 | 20810.40 | 1137.14 | 4205.67 | 573.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 72064.20 | 80887.25 | 79076.00 | 80304.00 | 85602.25 | 78852.75 | - | - | - | 19278.50 | 1863.67 | 22028.00 | |
| CREATINE | 513252.22 | 582102.78 | 347757.00 | 560997.00 | 853027.00 | 512689.33 | 3462869.12 | 1215509.71 | 3753786.00 | - | - | - | 694392.00 | 1805646.50 | 60402.33 | 1674851.75 | 5789413.33 | 5801004.25 | 8853929.67 | 10910391.00 | 3448195.25 | 4739315.90 | 4054654.25 | 2610459.25 | 3883111.20 | 2191120.88 | 14861996.67 | 10766692.90 | 13033439.38 | 20343020.08 | 18081753.60 | 10954358.38 | 2060111.20 | 1431308.50 | 2273022.00 | 1389416.60 | 1011197.25 | 1751577.75 | 3266585.40 | 2812393.50 | 2962397.00 | 5987918.25 | 3739496.67 | 6258474.33 | |
| CREATININE | 8345453.22 | 10168695.11 | 5640184.89 | 8396380.50 | 12266808.00 | 4816441.00 | 2736971.50 | 1102777.29 | 1202574.00 | 42692574.57 | 42250739.33 | 46276990.67 | - | - | - | - | - | - | - | - | 27262771.60 | 25035358.80 | 21469874.50 | 65366151.50 | 57131719.20 | 54955617.25 | 16554768.50 | 10935644.60 | 13763838.88 | 56781292.00 | 49904374.40 | 47165086.00 | 44109339.20 | 54920358.00 | 37446613.00 | 43783594.40 | 55435116.00 | 38671491.00 | 2304308.20 | 1193138.50 | 2854283.25 | 47800390.00 | 42563032.00 | 44715388.00 | |
| CYSTATHIONINE | - | - | - | - | - | - | - | - | - | 5931.71 | 7038.50 | 10111.00 | - | - | - | - | - | - | 16338.33 | 13232.75 | - | - | - | - | - | - | 11395.86 | 8601.00 | 10641.50 | 31511.08 | 24982.60 | 21722.12 | - | - | - | - | - | - | - | - | - | 5500.50 | 6554.00 | 4012.00 | |
| CYTIDINE | - | - | - | - | - | - | 18164.00 | 22447.67 | 10727.40 | - | - | - | 7426.67 | 33332.75 | 4360.67 | 49279.25 | - | - | - | - | 52017.00 | 9806.40 | 55908.25 | - | - | - | 117591.29 | 151418.00 | 127844.50 | - | - | - | - | - | - | - | - | - | 24722.60 | 23833.50 | 27475.50 | - | - | - | |
| CYTOSINE | 20593.78 | 25736.89 | 42465.67 | 5829.50 | 19477.33 | 45783.33 | 33809.75 | 46487.25 | 33935.20 | 67582.43 | 50820.83 | 59662.67 | 105870.00 | 378331.50 | 75497.33 | 421119.50 | 87241.00 | 66337.50 | 321800.67 | 224315.50 | 408054.08 | 105248.60 | 465622.12 | 484170.92 | 34429.50 | 545710.88 | 263931.92 | 199647.00 | 220662.25 | 514025.67 | 435081.40 | 275255.50 | - | - | - | - | - | - | - | - | - | 111197.25 | 98019.33 | 93469.67 | |
| DEOXYCARNITINE | - | - | - | - | - | - | - | - | - | - | - | - | 247265.67 | 14852.75 | 361579.00 | 14916.00 | 94109.33 | 120436.75 | 66344.00 | 132063.50 | 45286.00 | 216818.00 | 30043.50 | 115543.75 | 1693273.30 | 73751.75 | 683513.71 | 476071.20 | 655555.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| DEOXYCORTICOSTERONE ACETATE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 206917.33 | 427273.00 | - | - | 7249.71 | 16841.40 | 8686.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| DEOXYCYTIDINE | 6625.11 | 8168.33 | 19010.22 | 1690.00 | 5529.00 | 16738.00 | 15218.88 | 26988.67 | 13044.20 | - | - | - | 30138.33 | 102104.25 | 19637.67 | 92007.25 | 25359.33 | 15516.75 | - | - | 207114.00 | 68373.20 | 245951.50 | 160658.92 | 8443.40 | 172975.25 | 103413.83 | 77995.80 | 87558.00 | - | - | - | 78467.40 | 21017.25 | 118437.00 | 23508.00 | 5454.50 | 140496.75 | - | - | - | - | - | - | |
| DETHIOBIOTIN | - | - | - | - | - | - | - | - | - | 25293.43 | 19197.17 | 17021.33 | - | - | - | - | - | - | 27250.67 | 30376.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| DIETHANOLAMINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 91600.71 | 56075.00 | 111370.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| DIETHYL MALONIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 8554.40 | 8367.25 | 3815.00 | 6202.40 | 7598.50 | 5293.50 | - | - | - | - | - | - | |
| DIETHYL SUCCINATE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 7042.57 | 5814.60 | 7091.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ETHYL 3-INDOLEACETIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 15643.67 | 14683.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| ETHYL 4-AMINOBENZOIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 17009.71 | 18365.60 | 20843.75 | - | - | - | - | - | - | - | - | - | 4356.00 | 6394.00 | 7062.00 | - | - | - | |
| FERULIC ACID | 4457.33 | 4845.56 | 20231.67 | 1718.00 | 3834.67 | 16313.67 | 11668.25 | 9352.00 | 9286.40 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 156522.80 | 117534.75 | 116454.75 | 151111.20 | 113367.00 | 121020.25 | - | - | - | 32599.25 | 21613.33 | 23339.67 | |
| GLUCOSAMINE | 2841.89 | 1925.67 | 21010.78 | 3028.00 | 1737.00 | 18472.67 | - | - | - | - | - | - | 14115.67 | 115371.00 | 30200.00 | 133351.25 | - | - | 6582.00 | 11353.00 | 22653.67 | 39076.80 | 329246.50 | 21605.67 | 40729.20 | 339270.62 | - | - | - | - | - | - | 13655.20 | 31402.50 | 130690.75 | 12801.20 | 34748.75 | 125834.25 | - | - | - | - | - | - | |
| GLUTAMIC ACID | 363851.00 | 437268.67 | 204436.89 | 334087.00 | 508923.00 | 134518.00 | 65146.88 | 26281.00 | 107272.80 | - | - | - | 1670046.00 | 670905.25 | 1698321.00 | 593744.00 | 61232.67 | 89169.25 | - | - | 3548113.71 | 1020566.00 | 3622392.50 | 2709184.71 | 387132.40 | 3001253.50 | 409327.00 | 244997.00 | 453386.00 | 26031.29 | 31572.40 | 16452.25 | 1501690.80 | 1828931.00 | 967298.00 | 884071.60 | 1290751.00 | 636206.25 | 45519.60 | 47162.50 | 48750.00 | - | - | - | |
| GLUTAMINE | 137831.11 | 166531.00 | 355180.89 | 157933.50 | 126138.33 | 216440.00 | 555535.88 | 289241.67 | 899545.60 | 75105.86 | 51043.17 | 30588.33 | 485540.00 | 968059.50 | 281798.00 | 694445.25 | 953148.67 | 916918.25 | 79762.33 | 55773.50 | 3894233.17 | 525001.60 | 3359643.62 | 3253750.25 | 335457.40 | 2481153.00 | 2158298.25 | 1572915.60 | 1919729.50 | 157139.83 | 123680.40 | 79628.00 | 598473.80 | 647567.75 | 1590613.75 | 385805.80 | 535939.00 | 864231.00 | 379788.00 | 394039.00 | 356757.00 | 42220.75 | 30444.67 | 21234.33 | |
| GLYCINE | - | - | - | - | - | - | - | - | - | - | - | - | 194743.33 | 356438.00 | 135187.33 | 164489.75 | 71732.33 | 126721.50 | 17579.67 | 35190.00 | 3665773.86 | 1483144.20 | 2686997.25 | 2238787.00 | 919863.60 | 1185753.25 | 556613.00 | 338044.60 | 594176.25 | 79601.00 | 84635.20 | 47176.50 | 12642.00 | 8283.75 | 26516.75 | 5212.20 | 5414.75 | 9477.00 | - | - | - | - | - | - | |
| GUANIDINEACETIC ACID | - | - | - | - | - | - | - | - | - | 317956.29 | 324911.33 | 374021.33 | - | - | - | - | - | - | 567538.33 | 743510.50 | - | - | - | - | - | - | - | - | - | 824702.67 | 817164.60 | 602574.50 | - | - | - | - | - | - | - | - | - | 328427.50 | 308962.67 | 241861.67 | |
| GUANOSINE | - | - | - | - | - | - | - | - | - | - | - | - | 22486.67 | 92581.75 | 15260.33 | 117802.50 | 11525.33 | 3281.00 | - | - | 69544.58 | 14261.20 | 79373.38 | 96365.92 | 6793.70 | 101428.88 | - | - | - | - | - | - | 20185.40 | 11499.25 | 83184.00 | 10622.40 | 4817.00 | 102043.50 | - | - | - | - | - | - | |
| HEPTANOIC ACID | 3615.56 | 1824.89 | 6862.11 | 3729.50 | 4753.33 | 4625.00 | - | - | - | 1543.71 | 1771.33 | 1413.33 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| HISTAMINE | 22433.89 | 26098.44 | 6797.67 | 30760.50 | 45665.00 | 8438.33 | 23763.88 | 13935.57 | 44035.60 | - | - | - | 415515.33 | 23272.75 | 547692.67 | 23387.50 | 130566.33 | 69447.50 | 147975.33 | 147999.50 | 748393.25 | 660150.20 | 262302.88 | 731910.33 | 634413.80 | 285237.12 | 155501.25 | 89979.60 | 102316.62 | 311657.83 | 319399.10 | 151283.12 | 63527.40 | 313099.25 | 51529.50 | 56171.20 | 317103.25 | 40293.50 | 19715.00 | 39583.50 | 20510.25 | 53684.75 | 68882.67 | 77081.33 | |
| HISTIDINE | 239385.89 | 292890.89 | 363662.67 | 267023.00 | 275860.67 | 237234.33 | - | - | - | - | - | - | - | - | - | - | 1365321.67 | 1587107.75 | 85061.67 | 48286.00 | 5178756.83 | 2630716.70 | 3522709.38 | 3698979.08 | 2097383.70 | 1836631.38 | 1813051.42 | 1396633.00 | 1765068.38 | 78603.71 | 76668.20 | 47871.50 | 917187.00 | 885155.50 | 1490829.50 | 484378.60 | 563247.75 | 676851.25 | 649732.60 | 728957.50 | 594583.25 | 13333.25 | 11635.67 | 11280.67 | |
| HOMOARGININE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 9510.00 | 44144.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| HOMOCITRULLINE | - | - | - | - | - | - | 11636.25 | 11366.67 | 16457.80 | 67470.00 | 76107.83 | 92800.67 | 12688.00 | 10084.25 | 14127.67 | 8716.25 | 26800.67 | 10826.25 | 95502.00 | 60577.25 | 70210.83 | 99523.40 | 52061.00 | 22671.40 | 36002.60 | 18926.75 | 86998.29 | 77544.00 | 88976.75 | 450663.57 | 681398.60 | 368825.25 | 20714.60 | 12851.75 | 20825.50 | 19805.00 | 12537.50 | 15075.50 | - | - | - | 32432.75 | 34427.33 | 26286.67 | |
| HYPOTAURINE | - | - | - | - | - | - | 5933.38 | 4449.00 | 7166.60 | 7957.00 | 5231.50 | 7265.33 | - | - | - | - | 17912.00 | 10228.25 | - | - | 14162.00 | 7121.20 | 15607.25 | - | - | - | 42178.29 | 27588.00 | 42032.00 | - | - | - | - | - | - | - | - | - | - | - | - | 4453.00 | 2817.67 | 7006.33 | |
| HYPOXANTHINE | 54593.78 | 117611.44 | 45884.22 | 35196.00 | 102348.33 | 35275.67 | 6958.50 | 33814.00 | 8972.80 | - | - | - | 7571800.00 | 261927.00 | 6626723.00 | 189048.75 | 473086.67 | 117703.25 | 35751.00 | 42803.50 | 297552.83 | 774073.50 | 339217.38 | 88716.50 | 768194.30 | 163080.62 | 7883.71 | 116701.60 | 11909.75 | - | - | - | 140383.80 | 284329.00 | 260086.00 | 51614.20 | 226559.75 | 209041.50 | 47558.00 | 46967.25 | 2510.50 | - | - | - | |
| INDOLE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 11724.33 | 6968.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| INDOLE-2,4,5,6,7-D5-3-ACETIC ACID | - | - | - | - | - | - | 28401.00 | 33945.00 | 80180.00 | - | - | - | 8481.00 | 11481.00 | 7619.67 | 13650.25 | - | - | 13899.33 | 15976.50 | 113372.33 | 100602.70 | 107022.00 | 107796.08 | 90609.10 | 96464.62 | 55954.33 | 67532.40 | 57374.25 | 192497.08 | 130523.90 | 191147.25 | 146387.20 | 137992.25 | 96623.50 | 324235.80 | 225822.00 | 326304.00 | 12336.40 | 6252.75 | 8842.50 | 31185.25 | 50413.33 | 47859.33 | |
| INDOLE-3-ACETALDEHYDE | - | - | - | - | - | - | - | - | - | 8717.43 | 12270.50 | 22134.33 | - | - | - | - | 9008.67 | 1594.75 | 17273.00 | 19549.25 | - | - | - | - | - | - | - | - | - | 79389.92 | 66660.00 | 60499.25 | - | - | - | - | - | - | - | - | - | 25396.00 | 35304.00 | 22633.67 | |
| INDOLEACETIC ACID | - | - | - | - | - | - | - | - | - | 6108.43 | 8563.33 | 4138.00 | 56708.00 | 3148.50 | 19021.67 | 2478.50 | - | - | 26455.33 | 19937.50 | - | - | - | - | - | - | - | - | - | 33083.92 | 12024.40 | 13054.62 | - | - | - | - | - | - | - | - | - | 6553.00 | 6571.33 | 10983.67 | |
| INDOLEPROPIONIC ACID | - | - | - | - | - | - | 297.17 | 20933.33 | 438.50 | 19830.86 | 24197.50 | 20388.00 | - | - | - | - | - | - | 4513.67 | 14369.75 | - | - | - | - | - | - | - | - | - | - | - | - | 6158.20 | 45096.50 | 2304.50 | 6645.00 | 57218.75 | 1696.75 | - | 19117.50 | 212.67 | 16393.50 | 10056.67 | 16072.33 | |
| INDOXYL SULFATE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 722.43 | 29494.20 | 257.50 | - | - | - | - | - | - | - | - | - | - | - | - | |
| INOSINE | - | - | - | - | - | - | - | - | - | - | - | - | 94831.00 | 102697.25 | 88151.67 | 109620.50 | 151127.33 | 21999.00 | - | - | 200103.58 | 74954.90 | 164736.62 | 160922.42 | 38719.30 | 132528.50 | 2164.43 | 63432.00 | 2074.50 | 7187.00 | 5290.00 | 8162.00 | - | - | - | - | - | - | 21865.40 | 60531.75 | 26576.00 | - | - | - | |
| IRBESARTAN | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 8381.86 | 8373.80 | 9483.25 | - | - | - | - | - | - | - | - | - | - | - | - | |
| KYNURENIC ACID | - | - | - | - | - | - | - | - | - | 97238.43 | 102625.00 | 115049.33 | - | - | - | - | 7237.67 | 19077.75 | 174394.00 | 189721.00 | - | - | - | - | - | - | 29069.57 | 41624.00 | 30904.00 | 276048.50 | 287115.80 | 176261.50 | - | - | - | - | - | - | - | - | - | 41959.00 | 37567.33 | 56100.67 | |
| KYNURENINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 29780.00 | 22030.50 | - | - | - | - | - | - | - | - | 36298.86 | 52030.00 | 55135.00 | 43405.08 | 48645.40 | 34091.12 | - | - | - | - | - | - | - | - | - | - | - | - | |
| LEUCINE-5,5,5-D3 | 178464.56 | 163589.89 | 213358.78 | 186466.00 | 161421.67 | 265175.67 | 159664.25 | 87980.00 | 188448.20 | 323004.43 | 326055.83 | 290105.33 | 276849.67 | 356289.50 | 306696.67 | 387273.00 | 297428.33 | 281202.75 | 289158.67 | 296102.25 | 875743.00 | 775206.50 | 794541.38 | 933183.83 | 804479.70 | 926305.50 | 841109.25 | 780359.70 | 788596.62 | 782081.08 | 707607.50 | 738080.12 | 1077729.20 | 1122647.50 | 1107522.50 | 1141940.00 | 1131856.75 | 1165109.75 | 100142.80 | 95039.00 | 92713.50 | 108010.75 | 110469.67 | 121472.00 | |
| LEUCINE, NORLEUCINE | 705446.00 | 1003627.33 | 552213.33 | 836721.50 | 356258.00 | 506886.33 | 1060530.50 | 425563.43 | 1520074.40 | 588833.86 | 494974.83 | 425836.33 | 2502325.67 | 2797698.00 | 1890461.00 | 2080413.25 | 1801155.67 | 1747849.00 | 50783.00 | 103135.75 | 15417172.86 | 13135665.80 | 12420920.25 | 10173031.00 | 10943186.80 | 6544590.00 | 7267449.43 | 6220627.60 | 8325302.75 | - | - | - | 4357337.80 | 3985079.50 | 4515264.00 | 790078.20 | 1230054.00 | 2005726.00 | 768222.00 | 642408.75 | 677028.00 | - | - | - | |
| LINOLENIC ACID | 73210.67 | 93940.11 | 57947.56 | 94128.50 | 75649.33 | 53765.33 | 46685.50 | 12317.57 | 45424.00 | - | - | - | 32601.00 | 51152.50 | 55624.67 | 50249.25 | 20223.00 | 32317.25 | - | - | 178419.58 | 182321.30 | 107019.50 | 289504.25 | 188959.70 | 143723.38 | 45992.60 | 52214.80 | 48469.25 | - | - | - | 406039.00 | 366921.25 | 252103.25 | 317901.00 | 555627.00 | 337395.75 | 33061.40 | 44310.25 | 60240.75 | 2100.75 | 2252.00 | 1755.67 | |
| LITHOCHOLIC ACID | 7384.33 | 10077.56 | 2795.33 | 16646.50 | 8637.00 | 3017.67 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| LUMICHROME | - | - | - | - | - | - | - | - | - | 21480.86 | 33404.17 | 17513.00 | 45164.67 | 2034.00 | 59571.33 | 982.00 | 3136.00 | 9385.75 | 12337.67 | 10838.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 42867.25 | 20608.33 | 25044.00 | |
| LYSINE | 331547.67 | 567975.67 | 463906.89 | 344906.50 | 402546.33 | 304354.00 | 1248894.12 | 550040.86 | 1621377.40 | 23667.29 | 16551.67 | 19448.00 | 4026148.33 | 2045738.75 | 2800211.67 | 1071691.50 | 2409185.33 | 3330507.75 | 32268.00 | 38147.75 | 5099606.92 | 6088214.10 | 3682534.50 | 3181052.50 | 3892470.60 | 1874589.62 | 3993223.17 | 3234311.60 | 3560870.38 | 90817.83 | 179459.50 | 52191.75 | 1974921.20 | 1123767.25 | 1461384.00 | 664959.00 | 485486.00 | 521142.25 | 1622379.00 | 1105409.25 | 1620114.25 | 17749.25 | 16531.67 | 15303.33 | |
| MANNITOL | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 22281.43 | 68763.80 | 543805.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| MANNOSAMINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 33254.00 | 42193.50 | - | - | - | - | - | - | - | - | - | - | - | 108900.57 | 158735.00 | 79502.50 | - | - | - | - | - | - | - | - | - | - | - | - | |
| MELATONIN | 874.56 | 494.67 | 198.50 | 7409.50 | 10376.33 | 226.00 | - | - | - | - | - | - | 20613.33 | 882.50 | 22196.33 | 1093.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4008.00 | 4322.50 | 2387.50 | 41186.00 | 3106.00 | 2410.75 | - | - | - | - | - | - | |
| METHIONINE | 175863.67 | 241337.11 | 94006.67 | 166656.00 | 155836.67 | 83496.67 | 473414.75 | 156171.71 | 612511.40 | 37344.57 | 20774.50 | 13186.67 | 1337392.67 | 777765.50 | 780111.67 | 466293.75 | 542892.67 | 1059099.00 | - | - | 1696485.08 | 877953.80 | 1239413.25 | 1021561.17 | 401283.10 | 562195.12 | 2049075.92 | 993102.00 | 1473968.50 | - | - | - | 797558.00 | 613297.25 | 745148.25 | 326279.60 | 249001.00 | 352036.50 | 429765.60 | 365776.50 | 408337.25 | 31054.25 | 19963.33 | 21157.67 | |
| METHIONINE-METHYL-D3 | 169995.89 | 152627.33 | 195344.11 | 176146.50 | 162912.67 | 178573.33 | 157234.75 | 131047.50 | 290551.00 | 40887.14 | 41699.00 | 38745.33 | 435563.67 | 574600.75 | 472170.67 | 604518.50 | 596681.00 | 611633.00 | 507095.67 | 533995.50 | 523110.83 | 568538.70 | 553286.00 | 540116.25 | 567233.50 | 577522.00 | 577344.67 | 475556.20 | 571657.75 | 540479.33 | 552072.70 | 452929.62 | 880215.60 | 903009.00 | 858310.00 | 936179.60 | 913350.75 | 896607.25 | 149824.60 | 141960.75 | 152168.50 | 96764.50 | 103128.67 | 94511.67 | |
| METHYL NICOTINIC ACID | 121438.89 | 57712.33 | 193690.67 | 61384.00 | 18496.67 | 131049.67 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 420572.40 | 414912.25 | 382024.00 | 12072.00 | 58368.75 | 15395.00 | - | - | - | - | - | - | |
| N6-(DELTA2-ISOPENTENYL)-ADENINE | - | - | - | - | - | - | - | - | - | - | - | - | 15074.00 | 501.75 | 15756.33 | 502.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 34573.60 | 22948.50 | 26191.25 | - | - | - | |
| N-ACETYL-5-HYDROXYTRYPTAMINE | - | - | - | - | - | - | - | - | - | 13319.86 | 13719.67 | 15877.67 | 13563.67 | 1322.50 | 12588.00 | 573.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| N-ACETYLPUTRESCINE | 1926418.78 | 89021.78 | 12696.56 | 1403246.50 | 64985.33 | 12783.33 | - | - | - | 285500.29 | 176841.17 | 164503.67 | 40545.33 | 14854.00 | 460059.67 | 17190.00 | - | - | 131777.67 | 120867.25 | 653179.83 | 1102083.10 | 74161.12 | 793017.67 | 3245835.70 | 101316.12 | 20940.71 | 29231.80 | 20193.75 | 41330.20 | 32496.80 | 26893.50 | - | - | - | - | - | - | - | - | - | 91293.00 | 73656.67 | 59456.67 | |
| N-ALPHA-ACETYL-LYSINE | 88068.11 | 71176.56 | 91579.78 | 105657.50 | 81299.33 | 67519.00 | 19410.00 | 10408.80 | 35011.00 | 36207.57 | 36071.83 | 54845.00 | 427399.67 | 341977.50 | 454666.67 | 254741.25 | 34449.67 | 37381.25 | 648173.67 | 611454.50 | 340509.92 | 374302.00 | 347432.25 | 326937.08 | 268604.10 | 297106.00 | 64664.50 | 48907.00 | 65057.38 | 549839.33 | 658136.40 | 358354.75 | 184455.60 | 191974.25 | 186797.00 | 152949.40 | 169226.00 | 142943.50 | - | - | - | 194932.75 | 144000.67 | 172035.67 | |
| N-AMIDINO-ASPARTIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 11432.67 | 5325.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| NATEGLINIDE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 11314.43 | 10515.80 | 5591.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 335220.89 | 375948.00 | 423615.00 | 286393.00 | 348730.00 | 347894.00 | 279745.25 | 264282.00 | 570323.20 | 1683953.57 | 2010762.17 | 1916349.00 | 408568.33 | 806794.00 | 419647.33 | 760514.75 | 480827.00 | 481076.75 | 3729206.33 | 4124052.00 | 3718242.58 | 3540086.10 | 3273120.12 | 3653084.33 | 3264769.10 | 3179002.88 | 1040675.17 | 830968.80 | 1046461.50 | 4301207.75 | 4946230.50 | 3675091.25 | 1373825.80 | 1032080.00 | 1239719.25 | 1020597.40 | 789397.00 | 1039114.75 | 308103.20 | 238216.00 | 239889.25 | 2416194.25 | 2087762.00 | 1871146.00 | |
| NICOTINAMIDE | 14663.11 | 7495.11 | 65296.89 | 52597.50 | 81089.00 | 63243.67 | 125675.75 | 138373.33 | 258104.40 | 789969.43 | 607045.83 | 1210597.33 | 327436.00 | 784664.50 | 253103.00 | 305844.75 | 2257240.33 | 2000098.00 | 3857853.00 | 3665511.25 | 284300.00 | 184277.60 | 457234.50 | - | - | - | 1237602.20 | 1138701.60 | 737573.25 | 1825425.20 | 1552533.60 | 1837188.75 | 1658554.00 | 488345.50 | 450175.75 | 735211.00 | 85478.75 | 221032.75 | - | - | - | 681560.25 | 451456.67 | 500461.67 | |
| N-METHYL-ASPARTIC ACID | 69301.89 | 70059.78 | 2802.00 | 51062.00 | 60517.33 | 1898.33 | - | - | - | - | - | - | 69453.33 | 7609.00 | 90974.00 | 7172.75 | - | - | - | - | 840427.40 | 136486.80 | 602282.50 | 660704.00 | 57912.60 | 525989.75 | 48989.00 | 42793.00 | 47300.25 | - | - | - | 551115.00 | 29978.50 | 18700.50 | 299010.80 | 26776.50 | 13033.50 | - | - | - | - | - | - | |
| N,N-DIMETHYLGLYCINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 162350.33 | 116052.75 | - | - | - | - | - | - | - | - | - | - | - | - | 28587.20 | 249382.25 | 12178.00 | 29442.80 | 214784.75 | 10354.75 | - | - | - | - | - | - | |
| OCTYL GALLATE | - | - | - | - | - | - | 9679.25 | 12557.00 | 66286.80 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 9641.57 | 13467.40 | 13907.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| OPHTHALMIC ACID | - | - | - | - | - | - | - | - | - | 9528.71 | 8859.17 | 18385.67 | 17045.33 | 23522.50 | 24241.33 | 15625.50 | 24904.67 | 1236.75 | 15072.00 | 55291.50 | 78864.20 | 25419.40 | 78828.50 | 83068.60 | 20625.60 | 83557.00 | 9197.29 | 7073.60 | 7866.75 | 21163.00 | 12573.60 | 15809.50 | - | - | - | - | - | - | - | - | - | - | - | - | |
| ORNITHINE | 2744.00 | 3070.44 | 6955.11 | 4091.00 | 3022.67 | 4503.00 | 141157.75 | 44342.71 | 166058.40 | - | - | - | 112192.67 | 27132.50 | 137783.00 | 14021.50 | 394860.67 | 727091.25 | 13441.33 | 10495.50 | 82735.83 | 87938.90 | 54685.50 | 68261.75 | 65261.80 | 39554.38 | 854372.67 | 442291.20 | 1165113.50 | 38941.83 | 101446.40 | 24924.12 | 75326.40 | 18788.50 | 37378.00 | 28532.80 | 14593.25 | 22257.50 | 297279.40 | 134258.75 | 200636.00 | 3686.00 | 6259.00 | 4386.33 | |
| P-CRESOL GLUCURONIDE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 52616.67 | 2618.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| PHENYLALANINE | 588197.00 | 743648.22 | 523040.11 | 677525.00 | 429687.67 | 468986.67 | 358423.75 | 88138.29 | 228743.40 | 42488.43 | 41885.17 | 42193.33 | 4705928.67 | 3766894.25 | 3043395.33 | 2409589.25 | 2857884.33 | 2962838.00 | 83849.33 | 105480.75 | 9207031.08 | 6668091.40 | 6148602.88 | 6036281.83 | 5555785.20 | 3122497.25 | 2266651.58 | 1958278.50 | 2620798.12 | 208174.14 | 216701.60 | 162995.00 | 3418221.20 | 2733757.75 | 3426426.25 | 1032592.40 | 828007.75 | 1395833.00 | 489800.80 | 461727.25 | 545692.25 | 25202.00 | 21614.33 | 23505.00 | |
| PHENYLALANINE-2,3,4,5,6-D5 | 314680.44 | 301306.78 | 378202.78 | 328967.50 | 324087.33 | 375236.67 | 151311.12 | 55355.86 | 110371.60 | 407995.43 | 409929.33 | 383842.33 | 1022633.67 | 1087429.00 | 1058212.33 | 1114324.25 | 1297862.33 | 1296263.50 | 1379254.00 | 1491951.25 | 1179499.83 | 1030775.40 | 1058081.75 | 1203772.25 | 990055.80 | 1107241.75 | 853174.08 | 911312.60 | 986940.75 | 1581119.83 | 1394625.00 | 1538614.12 | 1231313.80 | 1273891.00 | 1254925.50 | 1272539.00 | 1291647.00 | 1274267.25 | 183699.40 | 189596.00 | 212892.25 | 311038.00 | 340155.33 | 311267.67 | |
| PHENYLETHANOLAMINE | 49468.11 | 44248.67 | 60714.67 | 54811.00 | 52474.00 | 51489.67 | - | - | - | - | - | - | 28844.67 | 3538.25 | 34757.00 | 2775.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | 59290.14 | 72076.40 | 55610.50 | - | - | - | - | - | - | - | - | - | - | - | - | |
| PIMELIC ACID | - | - | - | - | - | - | 10215.17 | 15653.00 | 17389.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| PIPECOLIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | 95154.33 | 562.50 | 150614.33 | 840.25 | - | - | 516537.33 | 518620.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| PIPERONYL ACETONE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 11873.71 | 16081.40 | 11524.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| PROGESTERONE-D9 | 761737.67 | 852784.00 | 768517.33 | 521670.50 | 354021.33 | 449799.67 | 845061.38 | 872260.33 | 849873.80 | 281871.43 | 278692.50 | 346655.33 | - | - | - | - | 326780.67 | 406403.00 | 797649.00 | 941347.75 | 1028059.08 | 1298860.80 | 896987.88 | 537865.60 | 459747.20 | 469766.50 | 1494653.17 | 1022191.00 | 1344404.62 | 757731.25 | 710773.10 | 695692.38 | 2407758.80 | 2231559.50 | 1802182.75 | 1952171.20 | 2537630.00 | 1691392.75 | 892099.80 | 701244.00 | 979314.50 | 377661.50 | 418232.67 | 415556.00 | |
| PROLINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 8346295.80 | 8958214.60 | 6439016.75 | 6593420.20 | 4652902.60 | 3069896.00 | - | - | - | - | - | - | 7253093.80 | 517477.75 | 7267345.50 | 3206288.00 | 317703.00 | 4786178.00 | - | - | - | - | - | - | |
| PROPYL GALLIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 28732.75 | 3174.25 | 22680.00 | 3606.40 | 1971.75 | 7957.75 | - | - | - | - | - | - | |
| PUTRESCINE | 122470.78 | 12527.00 | 534.57 | 148417.00 | 20120.00 | 707.00 | 22121.50 | 10653.00 | 27400.60 | - | - | - | 12044.33 | 1730.25 | 140732.33 | 1446.25 | 57177.00 | 61097.75 | 734964.00 | 1051807.25 | 22637.00 | 563718.70 | 11783.38 | 20235.75 | 637352.60 | 12987.25 | 214529.92 | 162181.60 | 96144.50 | 316729.00 | 227765.40 | 465455.62 | 2940.20 | 24788.75 | 1083.75 | 2987.40 | 28868.25 | 545.50 | 27933.40 | 23500.25 | 25058.25 | 42640.75 | 81218.00 | 16942.33 | |
| PYROGLUTAMIC ACID | - | - | - | - | - | - | - | - | - | 57322.29 | 59053.50 | 48376.67 | 42874.67 | 76076.75 | 25747.67 | 87353.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| RAFFINOSE | 2726.89 | 1059.67 | 431463.67 | 1374.50 | 2334.33 | 380128.67 | - | - | - | 6608.14 | 4704.17 | 15917.00 | 6628.67 | 115918.75 | 6623.67 | 131805.25 | - | - | 13546.00 | 40739.25 | 2466228.50 | 55673.80 | 2410257.25 | 2694811.17 | 46812.20 | 2523531.12 | 12500.14 | 7578.00 | 16617.25 | 66605.58 | 38082.90 | 47572.62 | 8345.80 | 2331162.50 | 2413460.25 | 11700.20 | 2456963.75 | 2491337.25 | - | - | - | 4291.00 | 6668.33 | 8489.67 | |
| RESVERATROL | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 11817.40 | 1566.75 | 6099.50 | 15308.80 | 2767.50 | 10208.25 | - | - | - | - | - | - | |
| RIBOFLAVIN | - | - | - | - | - | - | - | - | - | 9668.57 | 5905.50 | 16062.00 | 127709.00 | 3140.25 | 133480.67 | 2874.00 | - | - | 87306.67 | 29915.75 | 64041.25 | 52288.00 | 6599.12 | 58037.14 | 87173.00 | 2146.75 | 34161.71 | 22840.20 | 18070.25 | 172521.33 | 252126.90 | 110072.75 | 45656.20 | 12556.75 | 5007.75 | 61164.40 | 16307.00 | 2953.25 | - | - | - | 1257.75 | 2124.33 | 1896.00 | |
| S-(5^-ADENOSYL)-L-HOMOCYSTEINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 21147.00 | 39549.20 | 8893.50 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| SALICYLAMIDE | - | - | - | - | - | - | - | - | - | - | - | - | 10218.33 | 448078.00 | 7665.67 | 127253.75 | - | - | - | - | 495802.33 | 807130.80 | 417299.75 | 253376.67 | 109542.90 | 106075.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| SERINE | 36035.67 | 55202.22 | 78262.11 | 39121.00 | 36363.00 | 42463.33 | 53164.75 | 34149.00 | 63944.00 | - | - | - | 297534.33 | 484333.25 | 164338.67 | 326296.00 | 79061.00 | 114566.25 | - | - | 3651170.50 | 465755.00 | 2672653.75 | 2615267.17 | 318652.50 | 1363247.75 | 223717.75 | 148132.50 | 204069.62 | 58878.00 | 75727.80 | 25158.50 | 242563.00 | 183685.75 | 554069.50 | 85256.20 | 87770.75 | 226114.75 | 42560.60 | 38701.75 | 50207.00 | - | - | - | |
| SEROTONIN | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 97137.00 | 25642.25 | - | - | - | - | - | - | - | - | 279481.75 | 256358.80 | 235386.88 | - | - | - | - | - | - | - | - | - | 34037.80 | 27865.50 | 36752.25 | - | - | - | |
| SN-GLYCERO-3-PHOSPHOCHOLINE | 525092.11 | 855586.67 | 434809.11 | 1038450.50 | 1095046.67 | 663457.67 | 15046932.50 | 5274441.71 | 10691676.80 | 598743.00 | 706400.50 | 723544.33 | 366257.33 | 3104655.25 | 714506.33 | 2660946.25 | 22413888.67 | 21920950.50 | 1298182.00 | 5131094.00 | 4056692.58 | 2146976.30 | 2962614.62 | 3531639.50 | 2791509.90 | 2848117.62 | 34263215.42 | 26108722.40 | 32758397.25 | 3330175.92 | 2483251.80 | 1243700.25 | 1414843.80 | 1191865.75 | 939517.00 | 1464036.20 | 859533.50 | 600410.25 | 20739546.40 | 20565921.50 | 21690289.00 | 994820.75 | 927268.00 | 2152575.67 | |
| SORBIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 12135.71 | 15203.80 | 12261.50 | 13648.57 | 14012.40 | 13020.50 | - | - | - | - | - | - | - | - | - | - | - | - | |
| SPERMINE | 11657.11 | 13360.44 | 15111.78 | 21069.50 | 15477.00 | 37606.00 | - | - | - | - | - | - | 42927.67 | 20491.25 | 39893.00 | 17495.75 | 54783.33 | 71942.25 | - | - | 68031.83 | 68275.60 | 56374.88 | 69751.42 | 49865.50 | 62274.62 | 618435.86 | 302283.40 | 1003846.50 | 244763.67 | 222062.80 | 223819.50 | 35267.20 | 32676.75 | 43285.25 | 156278.20 | 95277.50 | 164922.25 | - | - | - | 22439.00 | 24346.67 | 28128.33 | |
| SUBERIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 29892.00 | 46400.20 | 34755.75 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| SUBERYL GLYCINE | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 107086.57 | 115130.20 | 91301.50 | - | - | - | - | - | - | - | - | - | - | - | - | |
| TAURINE | 5093.11 | 12383.33 | 1886.89 | 4734.50 | 23772.00 | 4795.33 | - | - | - | - | - | - | - | - | - | - | 48861.67 | 61440.50 | 772833.67 | 1020429.00 | - | - | - | - | - | - | 237361.57 | 235965.60 | 381927.50 | - | - | - | - | - | - | - | - | - | - | - | - | 369184.75 | 259139.00 | 430453.33 | |
| TAUROCHOLIC ACID | - | - | - | - | - | - | 471453.25 | 9778.50 | 1531987.00 | - | - | - | 1886.00 | 156409.50 | 1521.00 | 314274.25 | 4347.00 | 1019178.25 | - | - | 652325.83 | 964633.80 | 430025.38 | 2591142.40 | 1011209.60 | 655213.25 | 1430597.00 | 206843.40 | 906114.50 | - | - | - | 380431.40 | 298644.25 | 165738.50 | 654567.80 | 798297.00 | 277308.50 | 1126207.20 | 919205.00 | 106871.75 | - | - | - | |
| TAUROURSODEOXYCHOLIC ACID | 16247.78 | 15198.67 | 12868.78 | 24045.00 | 40971.67 | 16691.00 | 30979.57 | 751.67 | 106336.40 | - | - | - | - | - | - | - | 2348.33 | 177618.75 | - | - | 142553.57 | 126838.60 | 68429.00 | 278714.43 | 481224.20 | 125276.00 | 1658022.57 | 1228509.00 | 432101.50 | - | - | - | 96539.40 | 76925.75 | 49895.00 | 149693.40 | 175168.50 | 77169.25 | 290572.80 | 99026.00 | 31365.25 | - | - | - | |
| THIAMINE | 349.78 | 766.44 | 4710.78 | 895.00 | 5480.00 | 6725.67 | - | - | - | 256287.57 | 366856.83 | 789911.00 | 428271.67 | 56772.75 | 238728.00 | 122965.75 | - | - | 508202.33 | 1209439.75 | 211381.75 | 117156.90 | 157491.00 | 232385.08 | 147980.90 | 234719.62 | 196936.14 | 188348.40 | 154866.75 | 1865649.25 | 1313940.40 | 713910.88 | 3741.60 | 3217.75 | 30772.75 | 4633.40 | 4374.75 | 127591.00 | - | - | - | 38932.25 | 349652.33 | 404490.33 | |
| THIOPURINE S-METHYLETHER | - | - | - | - | - | - | - | - | - | 5071.00 | 83916.67 | 13067.67 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| THREONINE | 72398.00 | 102632.00 | 479953.00 | 65413.50 | 63919.00 | 294430.00 | 223526.00 | 137015.75 | 333317.40 | 15974.71 | 11756.83 | 12315.33 | 637083.00 | 1514365.00 | 466513.67 | 1264636.25 | 262727.33 | 434870.25 | 20586.33 | 31431.75 | 8546847.29 | 1041561.20 | 8695039.25 | 7561205.86 | 413342.00 | 7114739.75 | 1071469.14 | 625233.60 | 1054164.75 | 108303.57 | 95693.80 | 53403.75 | 270971.40 | 297785.75 | 1576504.25 | 76093.00 | 119893.50 | 1350643.50 | 151836.20 | 133032.25 | 194765.00 | - | - | - | |
| TRANEXAMIC ACID | 38397.56 | 42913.33 | 36482.33 | 39558.50 | 47876.33 | 32048.33 | 1645710.25 | 647690.43 | 1798308.00 | 6847091.86 | 5945126.83 | 6843845.33 | 37153.67 | 196227.00 | 50998.00 | 197145.75 | 5883474.67 | 6261586.50 | 12723632.67 | 13221228.75 | 177799.42 | 168253.50 | 150138.50 | 188817.33 | 183862.60 | 166303.38 | 4703185.25 | 3320017.90 | 3421761.75 | 9326345.17 | 6433983.40 | 4550187.38 | 245140.00 | 211304.75 | 240348.50 | 288637.40 | 259643.50 | 253607.25 | 1555777.80 | 1321931.25 | 1789309.00 | 3353504.75 | 2993658.00 | 3291538.00 | |
| TRICARBALLYLIC ACID | - | - | - | - | - | - | - | - | - | 98985.29 | 101343.83 | 209052.67 | - | - | - | - | - | - | 84986.67 | 232094.00 | - | - | - | - | - | - | 10491.60 | 9978.00 | 8776.75 | 129855.60 | 99925.60 | 98454.50 | - | - | - | - | - | - | - | - | - | 69991.25 | 59683.33 | 58758.67 | |
| TRIGONELLINE | 13983.44 | 12031.00 | 12284.67 | 23103.00 | 16578.33 | 10726.00 | 1512507.88 | 480979.29 | 1932801.00 | 3897860.00 | 3550909.00 | 3964247.67 | 22539.33 | 58804.50 | 22984.67 | 51954.75 | 3098564.00 | 4761648.00 | 15325298.33 | 12427261.75 | 152291.33 | 140635.90 | 105291.25 | 156619.17 | 125110.20 | 98290.00 | 8161129.08 | 5226124.80 | 4851240.25 | 26704788.17 | 25863958.40 | 14181520.38 | 64054.00 | 71915.50 | 57894.00 | 45297.20 | 114089.00 | 59184.75 | 1464657.80 | 1077077.50 | 1417610.25 | 6375961.50 | 5610476.00 | 5296750.00 | |
| TRIMETHYLAMINE N-OXIDE | - | - | - | - | - | - | 1354.88 | 41372.67 | 2316.60 | - | - | - | 3650.67 | 30993.75 | 1089.67 | 25589.25 | 956362.67 | 26455.50 | 17783742.67 | 867627.25 | 129976.00 | 9668.60 | 223020.75 | 107977.57 | 15561.00 | 176768.00 | 334998.14 | 209291.40 | 305599.50 | 3102084.92 | 3072955.90 | 1450165.75 | - | - | - | - | - | - | - | - | - | 15457.25 | 451565.33 | 11315.00 | |
| TRYPTOPHAN | 64494.33 | 94292.22 | 101964.22 | 62613.00 | 54009.67 | 82184.00 | 98443.88 | 25829.00 | 61381.60 | - | - | - | 388968.00 | 604734.75 | 307390.67 | 336887.00 | 185624.00 | 227754.75 | 13246.33 | 13430.25 | 1524183.75 | 989184.90 | 892936.75 | 1005273.33 | 781270.70 | 462366.62 | 535611.17 | 503876.40 | 616629.62 | 56660.00 | 51000.20 | 41296.00 | 609182.80 | 427804.50 | 683844.25 | 191628.00 | 138985.75 | 245554.50 | 193598.80 | 163469.25 | 212361.50 | - | - | - | |
| TRYPTOPHAN-2,4,5,6,7-D5 | 199588.89 | 188670.33 | 219774.89 | 194090.00 | 189182.00 | 220767.33 | 30586.00 | 15910.20 | 21201.20 | 209830.57 | 209695.83 | 203302.00 | 634077.00 | 567680.50 | 688641.67 | 548598.50 | 167506.33 | 155188.50 | 717578.67 | 706637.25 | 639685.67 | 557185.00 | 562455.38 | 621683.58 | 514017.10 | 564304.00 | 179618.25 | 208225.20 | 187672.88 | 1122161.17 | 845027.10 | 1191540.88 | 875899.20 | 886344.75 | 867286.00 | 895579.80 | 869661.75 | 877041.75 | 55818.80 | 56834.00 | 58873.25 | 223723.50 | 253422.00 | 230241.33 | |
| TYRAMINE | - | - | - | - | - | - | - | - | - | 22194.57 | 26781.50 | 31019.33 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| TYROSINE | 39101.22 | 40552.78 | 35545.33 | 41654.00 | 43680.00 | 21481.67 | 37846.88 | 31948.33 | 49170.60 | - | - | - | 415616.33 | 306187.50 | 312853.33 | 191549.25 | 145821.67 | 151849.25 | 115435.67 | 166833.00 | 186866.40 | 86652.60 | 129076.00 | - | - | - | 83245.14 | 77055.20 | 79290.25 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| URSOCHOLIC ACID | 13514.44 | 14640.11 | 1300.78 | 7693.50 | 30659.33 | 1134.67 | 4223.75 | 275.00 | 1965.20 | - | - | - | 21825.67 | 478.00 | 13007.33 | 744.00 | - | - | - | - | - | - | - | - | - | - | 28426.43 | 54255.50 | 32266.50 | - | - | - | 28054.80 | 8613.25 | 3811.00 | 50314.80 | 8125.25 | 4219.75 | 5665.00 | 2340.50 | 2195.00 | - | - | - | |
| VITAMIN D3 | - | - | - | - | - | - | 8445.00 | 6145.00 | 14280.60 | - | - | - | - | - | - | - | - | - | - | - | 7717.00 | 11301.80 | 11311.50 | - | - | - | 32448.00 | 17607.30 | 23335.12 | - | - | - | 152903.40 | 196803.75 | 179717.75 | 232706.40 | 316065.00 | 242929.50 | 10894.80 | 17199.25 | 13276.00 | - | - | - | |
| XANTHURENIC ACID | - | - | - | - | - | - | - | - | - | 187559.00 | 291382.33 | 246259.67 | - | - | - | - | - | - | 169265.33 | 167253.00 | - | - | - | - | - | - | 5870.29 | 6912.80 | 4550.25 | 342991.58 | 463705.70 | 200522.00 | - | - | - | - | - | - | - | - | - | - | - | - |
Factors:
| F1 | Experiment:community | Sample_type:caecal | Colonization:Bt_Ca_Er_Pd_Et |
| F2 | Experiment:community | Sample_type:caecal | Colonization:Cs_Bt_Ca_Er_Pd_Et |
| F3 | Experiment:community | Sample_type:caecal | Colonization:germ-free |
| F4 | Experiment:community | Sample_type:feces | Colonization:Bt_Ca_Er_Pd_Et |
| F5 | Experiment:community | Sample_type:feces | Colonization:Cs_Bt_Ca_Er_Pd_Et |
| F6 | Experiment:community | Sample_type:feces | Colonization:germ-free |
| F7 | Experiment:community | Sample_type:serum | Colonization:Bt_Ca_Er_Pd_Et |
| F8 | Experiment:community | Sample_type:serum | Colonization:Cs_Bt_Ca_Er_Pd_Et |
| F9 | Experiment:community | Sample_type:serum | Colonization:germ-free |
| F10 | Experiment:community | Sample_type:urine | Colonization:Bt_Ca_Er_Pd_Et |
| F11 | Experiment:community | Sample_type:urine | Colonization:Cs_Bt_Ca_Er_Pd_Et |
| F12 | Experiment:community | Sample_type:urine | Colonization:germ-free |
| F13 | Experiment:conventional | Sample_type:caecal | Colonization:conventional |
| F14 | Experiment:conventional | Sample_type:caecal | Colonization:germ-free |
| F15 | Experiment:conventional | Sample_type:feces | Colonization:conventional |
| F16 | Experiment:conventional | Sample_type:feces | Colonization:germ-free |
| F17 | Experiment:conventional | Sample_type:serum | Colonization:conventional |
| F18 | Experiment:conventional | Sample_type:serum | Colonization:germ-free |
| F19 | Experiment:conventional | Sample_type:urine | Colonization:conventional |
| F20 | Experiment:conventional | Sample_type:urine | Colonization:germ-free |
| F21 | Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:As |
| F22 | Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:Cp |
| F23 | Experiment:mono-colonization_2 | Sample_type:caecal | Colonization:germ-free |
| F24 | Experiment:mono-colonization_2 | Sample_type:feces | Colonization:As |
| F25 | Experiment:mono-colonization_2 | Sample_type:feces | Colonization:Cp |
| F26 | Experiment:mono-colonization_2 | Sample_type:feces | Colonization:germ-free |
| F27 | Experiment:mono-colonization_2 | Sample_type:serum | Colonization:As |
| F28 | Experiment:mono-colonization_2 | Sample_type:serum | Colonization:Cp |
| F29 | Experiment:mono-colonization_2 | Sample_type:serum | Colonization:germ-free |
| F30 | Experiment:mono-colonization_2 | Sample_type:urine | Colonization:As |
| F31 | Experiment:mono-colonization_2 | Sample_type:urine | Colonization:Cp |
| F32 | Experiment:mono-colonization_2 | Sample_type:urine | Colonization:germ-free |
| F33 | Experiment:mono-colonization | Sample_type:caecal | Colonization:Bt |
| F34 | Experiment:mono-colonization | Sample_type:caecal | Colonization:Cs |
| F35 | Experiment:mono-colonization | Sample_type:caecal | Colonization:germ-free |
| F36 | Experiment:mono-colonization | Sample_type:feces | Colonization:Bt |
| F37 | Experiment:mono-colonization | Sample_type:feces | Colonization:Cs |
| F38 | Experiment:mono-colonization | Sample_type:feces | Colonization:germ-free |
| F39 | Experiment:mono-colonization | Sample_type:serum | Colonization:Bt |
| F40 | Experiment:mono-colonization | Sample_type:serum | Colonization:Cs |
| F41 | Experiment:mono-colonization | Sample_type:serum | Colonization:germ-free |
| F42 | Experiment:mono-colonization | Sample_type:urine | Colonization:Bt |
| F43 | Experiment:mono-colonization | Sample_type:urine | Colonization:Cs |
| F44 | Experiment:mono-colonization | Sample_type:urine | Colonization:germ-free |
