Data for ST000954
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 | F18 | F19 | F20 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2^,4^-DIHYDROXYACETOPHENONE | 636140.00 | 1790587.00 | 1475891.50 | 64052.00 | 15000000.00 | 972473.50 | 49832.00 | 31178644.00 | 1793554.43 | 2980669.00 | 2460853.00 | 4127216.00 | 148363.00 | 4609201.83 | 358039.33 | 205158.67 | 531405.50 | 318513.00 | 2433313.22 | 10107058.33 | |
| 2-deoxy-D-galactose (fructose/glucose)_R1 | 317547.00 | 807800.50 | 308737.75 | 184745.00 | 109396.00 | 215002.50 | 582692.00 | 719141.50 | 307697.86 | 555983.00 | 496736.00 | 151623.00 | 440603.00 | 346809.83 | 267299.33 | 450092.67 | 292603.00 | 154403.00 | 243371.67 | 285880.00 | |
| 2-deoxy-D-galactose (fructose/glucose)_R2 | 320238.00 | 682108.00 | 238437.50 | 195473.00 | 117772.00 | 222082.50 | 585821.00 | 557658.00 | 224403.29 | 417105.67 | 448200.00 | 163633.00 | 232682.00 | 248356.50 | 159272.67 | 272434.67 | 252913.00 | 109458.00 | 207428.11 | 199763.00 | |
| 2-hydroxyglutarate | 1360797.00 | 1910617.00 | 1318037.75 | 1254969.00 | 1321376.00 | 1022795.00 | 845145.00 | 1134299.00 | 1253161.86 | 1218641.00 | 1260769.00 | 1438145.00 | 1009863.00 | 1277451.33 | 1236064.00 | 1255579.00 | 1178706.00 | 1498206.00 | 1371574.00 | 1251050.33 | |
| 2-Hydroxyhippuric acid_R1 | 1697802.00 | 1663908.50 | 1533327.75 | 8163548.00 | 1055205.00 | 1426330.00 | 1054820.00 | 6642544.50 | 2755484.14 | 2079240.67 | 2829405.00 | 6658451.00 | 2124272.00 | 1285551.50 | 2540409.67 | 2161667.33 | 2091007.00 | 13600000.00 | 1457835.00 | 1233596.00 | |
| 2-Hydroxyhippuric acid_R2 | 1946240.50 | 9451961.50 | 1364859.50 | 1941436.00 | 503445.00 | 5092738.00 | 997654.00 | 6699028.50 | 2216519.29 | 2238391.67 | 5310992.00 | 4357598.00 | 934685.00 | 877743.00 | 986476.00 | 808319.33 | 957331.50 | 13700000.00 | 1230238.33 | 784538.00 | |
| 3-(2-HYDROXYPHENYL)PROPANOATE | 3548515.00 | 26116862.50 | 3772911.25 | 5487410.00 | 2418625.00 | 9941266.00 | 2248765.00 | 9429199.00 | 5453486.00 | 4116859.33 | 8185128.00 | 4983214.00 | 5251996.00 | 6049976.83 | 4454235.33 | 4123184.33 | 5708781.00 | 2932877.00 | 3195011.67 | 2886386.33 | |
| 3-HYDROXY-3-METHYLGLUTARATE | 4676675.50 | 3173079.00 | 3692503.25 | 2659686.00 | 2988114.00 | 2736391.50 | 2941546.00 | 3295384.00 | 3300432.00 | 3073145.00 | 3161880.00 | 2552125.00 | 2097292.00 | 3040824.83 | 3287538.67 | 3444481.67 | 2653946.50 | 3334503.00 | 3381053.11 | 2917882.33 | |
| 3-Hydroxydecanoic acid | 1236144.50 | 1567156.00 | 1535631.50 | 1221916.00 | 1943625.00 | 2303735.50 | 1414382.00 | 2306247.00 | 1683003.57 | 1051644.33 | 1454123.00 | 2564172.00 | 753001.00 | 2738263.50 | 1611490.33 | 1870079.33 | 5468891.50 | 889283.00 | 1733372.33 | 3620805.33 | |
| 3-HYDROXYKYNURENINE | 29793.00 | 26336.50 | 25564.50 | 36248.00 | 32419.00 | 25824.50 | 28764.00 | 33218.50 | 32306.57 | 38606.00 | 33987.00 | 24815.00 | 28188.00 | 26333.40 | 31443.33 | 25093.00 | 34419.50 | 38585.00 | 22980.44 | 28911.00 | |
| 3-METHOXY-4-HYDROXYMANDELATE | 64983.00 | 58590.50 | 76719.50 | 91785.00 | 41812.00 | 76693.50 | 68388.00 | 110249.00 | 71900.43 | 112648.00 | 133752.00 | 153524.00 | 54166.00 | 76061.17 | 66741.67 | 97266.00 | 59680.00 | 55304.00 | 59488.11 | 70558.67 | |
| 3-methyladipic acid | 571962.00 | 550668.00 | 542740.00 | 534478.00 | 1033496.00 | 551197.00 | 578242.00 | 646226.00 | 621854.71 | 625942.33 | 540437.00 | 989195.00 | 429245.00 | 627871.17 | 453991.00 | 579254.33 | 757830.50 | 492456.00 | 482845.44 | 564880.33 | |
| 3-SULFINO-L-ALANINE | 707268.00 | 815726.50 | 607252.00 | 504984.00 | 388445.00 | 310821.50 | 281822.00 | 322313.00 | 414383.29 | 434871.33 | 484452.00 | 300923.00 | 257873.00 | 699359.50 | 394421.67 | 371036.33 | 579992.50 | 436657.00 | 614173.00 | 376391.67 | |
| 3-UREIDOPROPIONATE | 102767.00 | 200323.00 | 190174.25 | 131437.00 | 50019.00 | 185445.50 | 209079.00 | 229191.00 | 173395.57 | 231937.67 | 82618.00 | 161951.00 | 145575.00 | 183918.67 | 190607.33 | 205043.33 | 294760.50 | 128910.00 | 188176.56 | 104673.67 | |
| 4-ACETAMIDOBUTANOATE | 161432.00 | 127805.50 | 164274.75 | 273032.00 | 186324.00 | 170666.50 | 162535.00 | 198532.50 | 228979.86 | 131365.67 | 219297.00 | 292768.00 | 127211.00 | 154647.00 | 124409.67 | 244098.00 | 170041.50 | 162586.00 | 137894.89 | 136164.33 | |
| 4-GUANIDINOBUTANOATE | 20708.50 | 16863.50 | 28832.00 | 27322.00 | 25002.00 | 30811.00 | 33712.00 | 34841.50 | 25189.57 | 67563.33 | 38107.00 | 27734.00 | 26588.00 | 29982.17 | 30911.00 | 25959.67 | 24606.50 | 43853.00 | 29933.22 | 27727.33 | |
| 4-Hydroxyphenylacetate | 846838.00 | 933776.50 | 1121482.00 | 731307.00 | 1424738.00 | 913298.50 | 845322.00 | 872441.00 | 1077253.43 | 926120.00 | 820956.00 | 564090.00 | 562826.00 | 814779.17 | 585341.00 | 850895.00 | 686363.50 | 1082986.00 | 671252.33 | 890660.00 | |
| 4-METHYL-2-OXO-PENTANOIC ACID | 107950000.00 | 99050000.00 | 109200000.00 | 70700000.00 | 118000000.00 | 98550000.00 | 99000000.00 | 136500000.00 | 97857142.86 | 94933333.33 | 117000000.00 | 65100000.00 | 61100000.00 | 95666666.67 | 95600000.00 | 84233333.33 | 72650000.00 | 89900000.00 | 114466666.67 | 76833333.33 | |
| 4-oxoproline;5-OXO-L-PROLINE | 17000000.00 | 19500000.00 | 14800000.00 | 18300000.00 | 22300000.00 | 16950000.00 | 12600000.00 | 15550000.00 | 17414285.71 | 13200000.00 | 16600000.00 | 17200000.00 | 13600000.00 | 14116666.67 | 13333333.33 | 10611251.33 | 18300000.00 | 14800000.00 | 14211111.11 | 13566666.67 | |
| 5-AMINOLEVULINIC ACID;4-HYDROXYPROLINE;trans-4-Hydroxy-L_Pro... | 89630.50 | 102851.00 | 76727.75 | 88358.00 | 98641.00 | 93538.00 | 162755.00 | 106238.00 | 122901.29 | 124990.33 | 87610.00 | 92955.00 | 86603.00 | 240508.67 | 210038.33 | 163753.00 | 220495.50 | 211105.00 | 155396.89 | 121068.00 | |
| 5-HYDROXY-L-TRYPTOPHAN | 197194.00 | 216036.00 | 232382.75 | 179781.00 | 244224.00 | 185074.00 | 152167.00 | 201242.00 | 248075.57 | 179713.00 | 242141.00 | 278171.00 | 246816.00 | 281651.00 | 198517.33 | 153474.00 | 242964.00 | 230321.00 | 296523.56 | 137970.67 | |
| 6-Hydroxycaproic acid_R1 | 5980054.50 | 4940648.50 | 6230981.50 | 5079736.00 | 5773960.00 | 5721384.50 | 3767889.00 | 4968096.00 | 5027698.00 | 6854017.00 | 4364368.00 | 4707048.00 | 3902174.00 | 6924301.17 | 5813207.00 | 6115175.67 | 4288829.00 | 5368867.00 | 5885150.44 | 5065714.67 | |
| 6-Hydroxycaproic acid_R2 | 3237378.50 | 3450150.00 | 3757576.50 | 3590053.00 | 6980110.00 | 4590075.50 | 2968720.00 | 4625125.50 | 3864479.43 | 2346311.67 | 3254162.00 | 3023452.00 | 2305334.00 | 4242576.33 | 2794134.33 | 3905256.33 | 5417192.50 | 1814092.00 | 3095747.11 | 3321808.33 | |
| 6-PHOSPHOGLUCONIC ACID_R1 | 137206.50 | 221991.00 | 169268.25 | 188796.00 | 99675.00 | 156391.00 | 237787.00 | 229283.00 | 142192.86 | 134972.67 | 158043.00 | 105144.00 | 236826.00 | 221427.67 | 191589.00 | 162157.67 | 128359.50 | 337199.00 | 290747.67 | 122539.67 | |
| 6-PHOSPHOGLUCONIC ACID_R2 | 277616.50 | 221991.00 | 207984.00 | 188796.00 | 484212.00 | 156391.00 | 237787.00 | 258463.50 | 243334.57 | 224984.00 | 158043.00 | 340264.00 | 236826.00 | 289736.83 | 277651.00 | 220980.33 | 247734.50 | 337199.00 | 378719.56 | 187885.67 | |
| ADP | 111456.50 | 100400.50 | 66402.50 | 122622.00 | 78497.00 | 48196.00 | 38786.00 | 43389.50 | 38336.43 | 43956.00 | 64594.00 | 45075.00 | 32019.00 | 64153.40 | 52318.67 | 35415.67 | 73710.00 | 77147.00 | 50028.56 | 61386.67 | |
| ALDOPENTOSE | 14899838.50 | 22100000.00 | 12064046.25 | 12300000.00 | 5413410.00 | 11537523.50 | 18600000.00 | 19500000.00 | 16541982.14 | 20266666.67 | 23900000.00 | 11200000.00 | 8521028.00 | 11166433.67 | 10579146.67 | 14065944.00 | 17300000.00 | 11900000.00 | 9285538.44 | 11600000.00 | |
| a-LINOLENIC ACID | 61073.00 | 40750.50 | 90231.50 | 22242.00 | 61548.00 | 35395.00 | 48165.00 | 99339.00 | 57245.00 | 26370.67 | 98940.00 | 220294.00 | 5363.00 | 109769.67 | 73131.67 | 50696.50 | 44708.50 | 26948.00 | 164616.78 | 31104.00 | |
| ALLANTOIN | 3191668.50 | 2650677.00 | 3568850.00 | 3666649.00 | 2783682.00 | 2406931.00 | 2815138.00 | 5763746.50 | 3619383.86 | 4009282.33 | 3650447.00 | 3255594.00 | 3313561.00 | 4211522.50 | 3171928.00 | 3305775.67 | 3939011.00 | 2750548.00 | 3157084.33 | 2657136.00 | |
| ALPHA-HYDROXYISOBUTYRIC ACID | 81150000.00 | 60900000.00 | 63675000.00 | 44900000.00 | 140000000.00 | 57300000.00 | 80200000.00 | 56850000.00 | 55942857.14 | 54933333.33 | 52400000.00 | 59900000.00 | 32400000.00 | 60683333.33 | 48533333.33 | 39633333.33 | 46650000.00 | 46400000.00 | 72022222.22 | 44400000.00 | |
| ALPHA-KETOGLUTARIC ACID+2H | 1779589.00 | 2402659.50 | 1400917.50 | 2013938.00 | 2212387.00 | 919751.00 | 1213723.00 | 1510280.00 | 1592682.29 | 1332485.00 | 1897852.00 | 1729167.00 | 1675303.00 | 1755010.67 | 1727864.00 | 1487312.00 | 1731358.50 | 736195.00 | 1841823.22 | 1313932.67 | |
| Arachidonic Acid (20:4) | 2179609.00 | 1195609.00 | 2078631.50 | 1382621.00 | 1619055.00 | 931828.00 | 1621032.00 | 1027399.00 | 2072376.29 | 859237.67 | 1067031.00 | 3509531.00 | 580330.00 | 2401933.67 | 1632053.33 | 774676.33 | 1289339.00 | 784566.00 | 2714419.22 | 1196938.00 | |
| ASCORBIC ACID | 14487049.00 | 3844911.50 | 8977705.00 | 5795035.00 | 932375.00 | 5016695.00 | 4349756.00 | 7240657.00 | 4285333.43 | 7451955.33 | 4917085.00 | 717270.00 | 6156313.00 | 2706118.33 | 8737732.00 | 6966301.00 | 8547522.50 | 1377410.00 | 6833349.33 | 16756331.67 | |
| ASPARAGINE | 790819.00 | 853203.00 | 897946.75 | 1136599.00 | 838459.00 | 1148765.50 | 976515.00 | 1264105.50 | 1150863.00 | 1018655.00 | 981094.00 | 1232646.00 | 977328.00 | 942216.17 | 881716.67 | 966544.67 | 1156036.00 | 1233522.00 | 1127040.78 | 684879.00 | |
| ASPARTATE | 2929132.50 | 2566416.00 | 3179983.75 | 2727503.00 | 2609171.00 | 2887605.50 | 1837255.00 | 3536295.00 | 3302705.57 | 3577063.33 | 2216822.00 | 5033497.00 | 2383540.00 | 2651676.33 | 2504158.67 | 2832501.00 | 2478898.00 | 3007962.00 | 2267035.44 | 2479900.33 | |
| AZELAIC ACID | 488340.50 | 485748.00 | 370430.00 | 343960.00 | 997844.00 | 430434.00 | 474351.00 | 541826.50 | 458205.86 | 384734.67 | 640217.00 | 230066.00 | 266932.00 | 472416.00 | 390979.67 | 343397.33 | 324168.00 | 438285.00 | 453705.89 | 316742.33 | |
| Billirubin | 179243.50 | 70192.00 | 86866.00 | 112319.00 | 50848.00 | 24861.00 | 368550.00 | 32348.00 | 99934.43 | 75709.00 | 146295.00 | 220653.00 | 102471.00 | 52169.80 | 112402.67 | 31586.33 | 56549.00 | 35277.00 | 52907.62 | 63528.00 | |
| BOC-L-Tyrosine_R1 | 117500000.00 | 109500000.00 | 113750000.00 | 117000000.00 | 112000000.00 | 113500000.00 | 109000000.00 | 99900000.00 | 112000000.00 | 115000000.00 | 113000000.00 | 111000000.00 | 113000000.00 | 117166666.67 | 115000000.00 | 110333333.33 | 105750000.00 | 114000000.00 | 113777777.78 | 112666666.67 | |
| BOC-L-Tyrosine_R2 | 117000000.00 | 109500000.00 | 112500000.00 | 117000000.00 | 111000000.00 | 113500000.00 | 106000000.00 | 102100000.00 | 112285714.29 | 114666666.67 | 111000000.00 | 110000000.00 | 112000000.00 | 117333333.33 | 114333333.33 | 109333333.33 | 106300000.00 | 113000000.00 | 113000000.00 | 109666666.67 | |
| C6H12O6-HEXOSE/KETOSE/INOSITOL | 75500000.00 | 55350000.00 | 68525000.00 | 54400000.00 | 66400000.00 | 60900000.00 | 62400000.00 | 59900000.00 | 61528571.43 | 58833333.33 | 61100000.00 | 55500000.00 | 57400000.00 | 63183333.33 | 66133333.33 | 68466666.67 | 67550000.00 | 54700000.00 | 63922222.22 | 68133333.33 | |
| Catechol Sulfate | 8098195.50 | 16950000.00 | 6866524.75 | 4771927.00 | 2954870.00 | 10203731.00 | 9269566.00 | 14923185.00 | 7105253.86 | 10762224.67 | 11200000.00 | 7250289.00 | 2345570.00 | 4105356.83 | 2544804.00 | 3961908.33 | 3254367.50 | 8009094.00 | 4432233.56 | 6546080.67 | |
| Chenodeoxycholic Acid (CDCA);Deoxycholic Acid (DCA)_R1 | 629478.50 | 490319.00 | 622145.50 | 796715.00 | 719288.00 | 418372.00 | 1013855.00 | 208742.50 | 886604.71 | 310278.00 | 838657.00 | 802447.00 | 2080374.00 | 609684.17 | 188862.33 | 375009.33 | 515084.00 | 237346.00 | 377617.22 | 1481169.67 | |
| Chenodeoxycholic Acid (CDCA);Deoxycholic Acid (DCA)_R2 | 524524.00 | 460241.50 | 913570.00 | 646581.00 | 600525.00 | 348385.50 | 1173430.00 | 177264.50 | 742010.14 | 277172.00 | 715772.00 | 652551.00 | 1780343.00 | 758045.83 | 357742.33 | 1567303.67 | 421940.50 | 185535.00 | 339878.67 | 1509967.00 | |
| CHOLATE_R1 | 33923.00 | 116091.50 | 14457.25 | 33726.00 | 32607.00 | 9486.00 | 35768.00 | 14181.00 | 22983.29 | 42496.00 | 22892.00 | 20192.00 | 145189.00 | 29474.67 | 22972.33 | 26028.67 | 54354.00 | 26696.00 | 19333.44 | 138980.67 | |
| CHOLATE_R2 | 25520.00 | 70626.50 | 9026.50 | 33726.00 | 32607.00 | 13003.00 | 35237.00 | 14181.00 | 20900.14 | 41406.00 | 15333.00 | 20192.00 | 156483.00 | 16056.33 | 18898.67 | 30257.00 | 54354.00 | 26696.00 | 20369.25 | 139490.67 | |
| Cholic Acid_R1 | 117548.00 | 98926.00 | 335013.50 | 67461.00 | 474413.00 | 31604.00 | 215872.00 | 48046.00 | 105504.00 | 350254.33 | 76523.00 | 49313.00 | 3482393.00 | 618560.83 | 136776.67 | 640024.33 | 90526.50 | 91768.00 | 139188.78 | 1732858.33 | |
| Cholic Acid_R2 | 88037.00 | 71131.50 | 270154.75 | 58894.00 | 367932.00 | 24010.50 | 162553.00 | 36756.50 | 81588.43 | 279935.00 | 65598.00 | 47735.00 | 2730401.00 | 484366.33 | 87575.33 | 503490.67 | 79065.50 | 74048.00 | 114182.44 | 1331904.67 | |
| Cholic Acid_R3 | 8014.50 | 4344.50 | 22820.00 | 3846.00 | 32981.00 | - | 15303.00 | 4749.00 | 7016.20 | 22894.33 | 6212.00 | 3393.00 | 191244.00 | 52034.75 | 11779.00 | 56267.50 | 5175.50 | 5110.00 | 13424.33 | 149845.00 | |
| CITRAMALATE | 461980.50 | 382751.00 | 425564.00 | 284592.00 | 837860.00 | 281418.00 | 370567.00 | 335440.50 | 398344.29 | 364356.33 | 344549.00 | 285606.00 | 187898.00 | 416874.83 | 294411.00 | 420510.33 | 241763.00 | 266236.00 | 493004.44 | 336759.33 | |
| CITRATE | 5382559.50 | 5393102.50 | 7878963.75 | 7369261.00 | 7135065.00 | 6863702.00 | 6338278.00 | 6468792.50 | 7747602.57 | 7944480.00 | 6300248.00 | 9203416.00 | 8778524.00 | 8402317.17 | 7918874.67 | 8202304.00 | 9124997.50 | 7713542.00 | 7456943.44 | 6804620.00 | |
| CITRULLINE | 11200000.00 | 9837861.00 | 14650000.00 | 8270645.00 | 8920866.00 | 20350000.00 | 11700000.00 | 11477392.50 | 13400000.00 | 18233333.33 | 22100000.00 | 19600000.00 | 10100000.00 | 13154075.67 | 12700000.00 | 14584946.33 | 10684583.50 | 16000000.00 | 12850155.67 | 5567705.00 | |
| CREATINE | 2606481.00 | 1624447.00 | 1413587.50 | 1414882.00 | 3993210.00 | 2522120.00 | 3468150.00 | 1258108.50 | 2116187.57 | 1620132.00 | 3177849.00 | 2712246.00 | 1827959.00 | 2278980.17 | 2116065.67 | 2536622.67 | 1613676.00 | 4591891.00 | 2842264.56 | 3769278.00 | |
| Creatine-D3 | 384345.50 | 411754.50 | 386974.00 | 410410.00 | 407325.00 | 359883.50 | 363305.00 | 364452.00 | 385741.29 | 363874.33 | 378118.00 | 386628.00 | 373768.00 | 378289.50 | 368094.33 | 366402.00 | 410227.00 | 332823.00 | 398512.89 | 398217.00 | |
| DECANOATE | 96361.50 | 99036.00 | 167423.50 | 70327.00 | 151626.00 | 247499.00 | 74373.00 | 207996.00 | 142683.14 | 128399.33 | 63679.00 | 345242.00 | 39067.00 | 217229.17 | 141541.33 | 190449.33 | 75372.00 | 63526.00 | 116727.33 | 138682.00 | |
| D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID | 1632698.00 | 1130053.00 | 1326992.00 | 1146732.00 | 1125251.00 | 1084667.00 | 1592600.00 | 1111250.00 | 1277281.57 | 1117829.00 | 1210704.00 | 1435418.00 | 1117041.00 | 1415629.33 | 1279933.67 | 1480526.00 | 1244857.00 | 1024006.00 | 1477268.33 | 1510667.33 | |
| Docosahexaenoic Acid (22:6);Docosahexanoic Acid | 1284315.00 | 1031302.50 | 1648618.50 | 648538.00 | 2993807.00 | 575964.00 | 1511264.00 | 734933.00 | 1883083.14 | 776399.67 | 727887.00 | 10100000.00 | 337779.00 | 1681092.83 | 1288091.67 | 785274.33 | 1377482.00 | 281942.00 | 2482867.44 | 944056.33 | |
| D-SACCHARIC ACID_R1 | 1869834.50 | 2314482.50 | 1330529.00 | 1834298.00 | 2213229.00 | 712044.00 | 1049763.00 | 1478338.50 | 1541129.86 | 1207497.67 | 1939566.00 | 1522645.00 | 1556440.00 | 1870051.83 | 1584672.00 | 1496442.00 | 1832450.50 | 649458.00 | 1945933.22 | 1295028.33 | |
| D-SACCHARIC ACID_R2 | 637080.50 | 993389.50 | 603713.25 | 842068.00 | 871871.00 | 307831.00 | 539890.00 | 511942.00 | 777090.71 | 418713.00 | 1030960.00 | 742994.00 | 675640.00 | 789592.50 | 767139.00 | 607992.67 | 613949.00 | 250248.00 | 909118.56 | 528371.00 | |
| EDTA | 116500000.00 | 128500000.00 | 127500000.00 | 126000000.00 | 114000000.00 | 122500000.00 | 91900000.00 | 124000000.00 | 104957142.86 | 128666666.67 | 115000000.00 | 178000000.00 | 115000000.00 | 110233333.33 | 125600000.00 | 136333333.33 | 98050000.00 | 198000000.00 | 102900000.00 | 100200000.00 | |
| Eicosapentaenoic Acid | 210692.50 | 152268.00 | 158918.25 | 98339.00 | 136154.00 | 48896.50 | 231677.00 | 106885.50 | 221823.00 | 65860.67 | 142318.00 | 1124592.00 | 32670.00 | 130340.50 | 107470.00 | 72077.67 | 82590.00 | 43694.00 | 174480.11 | 80995.33 | |
| ERYTHRITOL | 300616.50 | 340305.00 | 354354.50 | 434930.00 | 180129.00 | 245413.00 | 289535.00 | 345269.00 | 2015343.71 | 416564.33 | 380866.00 | 649677.00 | 200962.00 | 294279.33 | 243852.67 | 307532.67 | 296596.50 | 260069.00 | 251827.22 | 311960.00 | |
| FERULATE | 20797.50 | 27807.00 | 26506.00 | 22285.00 | 28517.00 | 21216.00 | 18836.00 | 27507.50 | 24153.00 | 28038.67 | 23035.00 | 12280.00 | 15188.00 | 22347.50 | 19267.00 | 24857.67 | 23350.50 | 17799.00 | 15155.22 | 19665.67 | |
| Ferulic acid sulfate | 387318.50 | 205663.00 | 110275.50 | 88037.00 | 50238.00 | 166505.00 | 457078.00 | 150002.50 | 168811.29 | 301264.67 | 86545.00 | 14205.00 | 64132.00 | 90676.67 | 74922.67 | 254410.33 | 92592.00 | 84147.00 | 140538.33 | 55190.33 | |
| Fumaric Acid | 252275.50 | 247716.00 | 328780.00 | 275501.00 | 301921.00 | 298626.50 | 210701.00 | 307984.50 | 288022.29 | 388523.33 | 317135.00 | 368332.00 | 314840.00 | 324734.67 | 306541.33 | 265917.00 | 359300.50 | 310680.00 | 320417.89 | 307190.67 | |
| GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE | 3664364.00 | 2165329.50 | 2502940.00 | 2949058.00 | 1660191.00 | 2156966.00 | 1862416.00 | 2151154.00 | 2537574.57 | 2718565.67 | 3251483.00 | 2314147.00 | 2240955.00 | 2687070.83 | 2391338.33 | 2850971.33 | 2665018.50 | 2180604.00 | 3409986.33 | 2614837.00 | |
| GLUCOSE/FRUCTOSE_R1 | 1065000000.00 | 760500000.00 | 838250000.00 | 663000000.00 | 773000000.00 | 762000000.00 | 801000000.00 | 718000000.00 | 750000000.00 | 770000000.00 | 779000000.00 | 789000000.00 | 787000000.00 | 807833333.33 | 867666666.67 | 859666666.67 | 788500000.00 | 703000000.00 | 934000000.00 | 907333333.33 | |
| GLUCOSE/FRUCTOSE_R2 | 347500000.00 | 249500000.00 | 274750000.00 | 217000000.00 | 255000000.00 | 250000000.00 | 262000000.00 | 236000000.00 | 245571428.57 | 251666666.67 | 252000000.00 | 261000000.00 | 258000000.00 | 264333333.33 | 284666666.67 | 281333333.33 | 258500000.00 | 231000000.00 | 305666666.67 | 297666666.67 | |
| GLYCERIC ACID | 13350000.00 | 9836239.00 | 8392693.75 | 11600000.00 | 10000000.00 | 6651152.50 | 10700000.00 | 8489031.50 | 10358903.86 | 7991786.00 | 9918107.00 | 10700000.00 | 7022709.00 | 9893601.00 | 9851552.00 | 10093596.00 | 9781591.50 | 7292681.00 | 9166924.67 | 8034662.67 | |
| GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE | 102135.50 | 126314.00 | 81176.25 | 198200.00 | 142188.00 | 63903.00 | 193089.00 | 133912.00 | 110570.57 | 98618.00 | 95665.00 | 178952.00 | 56978.00 | 84405.00 | 84173.33 | 64065.67 | 101253.00 | 68408.00 | 96446.00 | 68584.00 | |
| GLYCOCHOLATE_R1 | 92355.50 | 176679.50 | 148045.50 | 389227.00 | 365065.00 | 102760.00 | 286353.00 | 719680.50 | 409391.71 | 165561.67 | 290147.00 | 272483.00 | 1019277.00 | 543766.00 | 474148.67 | 195619.67 | 579560.00 | 888358.00 | 380248.67 | 919366.67 | |
| GLYCOCHOLATE_R2 | 88765.50 | 188070.00 | 128665.75 | 400179.00 | 240441.00 | 55479.50 | 206486.00 | 674002.50 | 338871.86 | 142636.00 | 297482.00 | 281515.00 | 283657.00 | 197221.17 | 199366.33 | 192741.00 | 212619.00 | 452835.00 | 285168.22 | 312644.33 | |
| Glycocholic Acid (GCA)_R1 | 4549642.00 | 2166332.00 | 2046606.25 | 3265590.00 | 2736784.00 | 742881.50 | 2134719.00 | 8049402.50 | 5152019.71 | 5782586.33 | 3366677.00 | 455592.00 | 3874399.00 | 5550757.17 | 4943980.33 | 3116912.33 | 2871774.00 | 3634077.00 | 3894619.22 | 3864139.33 | |
| Glycocholic Acid (GCA)_R2 | 4626302.00 | 2112269.00 | 1201216.75 | 229012.00 | 2705220.00 | 139688.00 | 157517.00 | 7287374.50 | 2248439.71 | 5700883.33 | 178221.00 | 188189.00 | 233766.00 | 5414089.17 | 894882.67 | 447000.00 | 1702272.00 | 429196.00 | 1340077.44 | 274310.00 | |
| Glycodeoxycholic acid (GDCA);Chenodeoxycholyglycine (GCDCA) | 6400839.50 | 2612259.50 | 5997419.25 | 11800000.00 | 3206031.00 | 3403274.00 | 6033384.00 | 13542207.50 | 10124121.00 | 4021583.67 | 10900000.00 | 1435696.00 | 6717090.00 | 13715961.50 | 9987248.33 | 6753743.33 | 9043156.00 | 5168431.00 | 7005723.33 | 5503041.67 | |
| GLYCOLATE | 2036436.50 | 1570063.50 | 1214304.25 | 1248242.00 | 1776734.00 | 1180148.00 | 1748383.00 | 1375824.50 | 1443877.29 | 1419944.33 | 1628609.00 | 3042584.00 | 1518940.00 | 1903054.00 | 1866377.33 | 1591739.33 | 1258984.50 | 1793550.00 | 1668306.44 | 1592878.67 | |
| Glycoursodeoxycholic acid (G-UDCA) | 5495854.00 | 1141119.00 | 1289730.75 | 6130659.00 | 931588.00 | 956770.50 | 5424892.00 | 18597033.00 | 4202949.00 | 1884909.00 | 7120906.00 | 224148.00 | 926272.00 | 3129134.67 | 957703.00 | 1599584.67 | 1519048.50 | 3414341.00 | 1605128.33 | 2600579.33 | |
| GUANIDINOACETATE | 403577.50 | 435796.50 | 390163.50 | 303627.00 | 241810.00 | 503124.50 | 518059.00 | 456707.50 | 378434.57 | 508545.33 | 405803.00 | 552535.00 | 346424.00 | 476713.33 | 375103.67 | 474444.33 | 428159.50 | 549784.00 | 421382.33 | 251285.67 | |
| Guanosine | 135778.50 | 150923.50 | 115134.50 | 118796.00 | 132380.00 | 72363.00 | 55497.00 | 115092.00 | 81384.71 | 66948.00 | 94670.00 | 81765.00 | 43135.00 | 118780.00 | 62142.33 | 50235.33 | 89311.50 | 77350.00 | 119737.56 | 58069.00 | |
| HEXANESULFONIC ACID-Sulfate | 267970.00 | 261626.00 | 232279.00 | 223678.00 | 274387.00 | 279020.00 | 375209.00 | 261832.50 | 272224.29 | 221600.00 | 230445.00 | 207285.00 | 152209.00 | 198644.00 | 135425.33 | 303004.67 | 343339.50 | 272738.00 | 206152.22 | 172253.00 | |
| INDOLE-3-ACETATE | 50551.50 | 37655.50 | 48150.00 | 43530.00 | 56194.00 | 63051.50 | 44086.00 | 51155.00 | 46469.00 | 50442.33 | 46835.00 | 61489.00 | 39610.00 | 43141.33 | 43217.67 | 56531.00 | 32368.00 | 73647.00 | 37379.22 | 42403.00 | |
| INDOXYL SULFATE | 101371.00 | 359760.00 | 94375.50 | 82377.00 | 177590.00 | 537624.00 | 111982.00 | 1041022.00 | 514230.14 | 95936.33 | 135585.00 | 92047.00 | 83327.00 | 822721.83 | 119116.33 | 149122.33 | 650650.00 | 15800000.00 | 254648.56 | 114798.00 | |
| ISOCITRIC ACID | 4886164.00 | 3342822.00 | 4940104.25 | 4525013.00 | 3834586.00 | 3624562.50 | 4644692.00 | 5160366.50 | 4722485.14 | 4873136.67 | 5333697.00 | 4533022.00 | 3555025.00 | 4284067.67 | 4962386.67 | 4544047.00 | 3897810.00 | 4204855.00 | 3846188.00 | 3936461.33 | |
| Kynurenic Acid | 283905.50 | 412268.00 | 315683.25 | 436035.00 | 217998.00 | 419261.00 | 303378.00 | 472524.00 | 363558.29 | 501362.33 | 458033.00 | 441937.00 | 179110.00 | 255540.33 | 289618.00 | 266042.33 | 259729.50 | 327554.00 | 306969.22 | 265639.67 | |
| LACTATE | 519000000.00 | 338500000.00 | 495750000.00 | 508000000.00 | 350000000.00 | 590500000.00 | 481000000.00 | 520000000.00 | 447428571.43 | 518000000.00 | 361000000.00 | 490000000.00 | 356000000.00 | 488666666.67 | 570666666.67 | 449666666.67 | 533500000.00 | 342000000.00 | 478000000.00 | 643333333.33 | |
| LACTATE-dimer | 11550000.00 | 10152960.50 | 10854260.00 | 11600000.00 | 10500000.00 | 11200000.00 | 12300000.00 | 10808663.00 | 10421408.86 | 10866666.67 | 10400000.00 | 9489624.00 | 11100000.00 | 11733333.33 | 10966666.67 | 10408900.67 | 12300000.00 | 9065174.00 | 11933333.33 | 12933333.33 | |
| L-ARGININE | 364812.00 | 460092.50 | 453365.25 | 616153.00 | 328899.00 | 699756.50 | 501122.00 | 502747.00 | 476774.29 | 578456.67 | 788084.00 | 637866.00 | 422125.00 | 526347.50 | 462303.67 | 467546.67 | 432901.50 | 683720.00 | 488351.67 | 268330.00 | |
| L-CARNITINE | 1398666.00 | 1638696.50 | 1600892.50 | 1778826.00 | 1210791.00 | 2275748.00 | 1834595.00 | 2004342.50 | 1626036.71 | 1524744.33 | 1989690.00 | 1221886.00 | 1774193.00 | 1906671.83 | 1837624.33 | 1509730.00 | 1924160.50 | 1498120.00 | 1804040.56 | 1966616.33 | |
| L-CYSTEINE | 1378529.50 | 1775604.00 | 1495918.25 | 1328563.00 | 1280236.00 | 1836782.00 | 1599261.00 | 1591802.50 | 1422549.00 | 1543203.33 | 1754186.00 | 1375348.00 | 1272417.00 | 1444969.33 | 1558115.67 | 1412869.33 | 1422704.00 | 1852458.00 | 1323824.11 | 1677274.67 | |
| LEUCINE | 1972636.00 | 1461445.00 | 1445279.00 | 1398453.00 | 1310793.00 | 1448615.50 | 1495002.00 | 1984063.50 | 1592938.57 | 1371872.67 | 2649023.00 | 1128589.00 | 935679.00 | 1408430.17 | 1364135.67 | 1155986.00 | 1166693.50 | 2313259.00 | 1491684.44 | 920542.00 | |
| L-GLUTAMIC ACID;N-METHYL-D-ASPARTIC ACID;O-ACETYL-L-SERINE;O... | 27800000.00 | 19050000.00 | 13026085.25 | 14000000.00 | 10300000.00 | 12312288.50 | 16800000.00 | 10003454.00 | 14032067.71 | 8957386.00 | 15300000.00 | 8788825.00 | 7159240.00 | 9982657.50 | 10763507.33 | 9236062.33 | 14104650.00 | 14100000.00 | 11176815.56 | 15200000.00 | |
| L-GLUTAMINE | 24500000.00 | 35400000.00 | 38400000.00 | 44000000.00 | 29400000.00 | 44300000.00 | 33800000.00 | 38600000.00 | 42028571.43 | 43600000.00 | 38800000.00 | 40200000.00 | 38400000.00 | 37183333.33 | 38100000.00 | 34833333.33 | 36900000.00 | 44300000.00 | 35544444.44 | 28866666.67 | |
| L-HISTIDINE | 12800000.00 | 17500000.00 | 14825000.00 | 21800000.00 | 17000000.00 | 17600000.00 | 16900000.00 | 18250000.00 | 17685714.29 | 14766666.67 | 16500000.00 | 14700000.00 | 17300000.00 | 16283333.33 | 17333333.33 | 14800000.00 | 15400000.00 | 26500000.00 | 14886558.78 | 11990269.00 | |
| Linoleic Acid (18:2) | 956836.50 | 511303.50 | 1194729.00 | 354893.00 | 772478.00 | 522224.50 | 779483.00 | 915691.50 | 878119.14 | 383013.00 | 993828.00 | 2339599.00 | 99354.00 | 1682938.83 | 978338.33 | 359055.33 | 690519.50 | 219028.00 | 2083678.00 | 476757.00 | |
| L-ISOLEUCINE | 1282049.00 | 959953.50 | 910749.75 | 942351.00 | 844901.00 | 893958.50 | 913292.00 | 1495681.00 | 1036418.57 | 853589.67 | 1947269.00 | 665335.00 | 696087.00 | 895607.33 | 888558.33 | 762774.00 | 711866.50 | 1406095.00 | 988861.11 | 568825.00 | |
| L-KYNURENINE | 1506965.50 | 1541319.00 | 1880052.50 | 1839194.00 | 939226.00 | 1461460.00 | 1315178.00 | 2158631.50 | 1926487.29 | 2192990.00 | 2018840.00 | 1529397.00 | 1387889.00 | 1078308.50 | 1713050.33 | 1404929.00 | 1555756.00 | 1395386.00 | 1224314.11 | 1258410.33 | |
| LL-2,6-DIAMINOHEPTANEDIOATE | 216659.50 | 247934.00 | 252346.00 | 229912.00 | 258542.00 | 265682.00 | 172064.00 | 247438.00 | 285141.14 | 280135.67 | 273796.00 | 269093.00 | 259183.00 | 234762.00 | 242506.67 | 234720.33 | 257274.00 | 242146.00 | 247724.78 | 231610.00 | |
| L-METHIONINE | 10161538.50 | 9356699.00 | 8086858.25 | 10300000.00 | 7809871.00 | 10066633.50 | 9423379.00 | 11128433.00 | 9496046.29 | 9576692.00 | 16000000.00 | 10300000.00 | 9429063.00 | 9864765.50 | 9452264.67 | 8561561.67 | 9158452.00 | 14300000.00 | 9626701.89 | 7076568.33 | |
| L-Phenylalanine-13C6 | 673228.50 | 637790.50 | 631334.25 | 626974.00 | 666117.00 | 722646.50 | 736747.00 | 671816.00 | 663159.00 | 699252.33 | 732768.00 | 674290.00 | 667182.00 | 684856.33 | 708218.67 | 647973.67 | 726704.50 | 614814.00 | 684687.89 | 678206.00 | |
| L-SERINE | 864945.50 | 1362214.50 | 1172601.75 | 1012533.00 | 1198698.00 | 1675854.00 | 1842535.00 | 1316677.00 | 1326178.71 | 1281730.67 | 1488304.00 | 1333527.00 | 1422684.00 | 1182033.33 | 1588003.67 | 1302980.67 | 1142252.50 | 1722258.00 | 1277113.00 | 814340.33 | |
| L-TYROSINE | 19150000.00 | 13900000.00 | 12897495.75 | 17500000.00 | 8109702.00 | 13700000.00 | 16900000.00 | 15500000.00 | 14318148.43 | 13466666.67 | 20500000.00 | 11900000.00 | 14100000.00 | 13049038.00 | 15833333.33 | 10698267.67 | 15650000.00 | 17800000.00 | 12920631.44 | 10334494.00 | |
| L-Tyrosine-13C6 | 391071.50 | 357046.00 | 347845.25 | 405598.00 | 387041.00 | 387882.00 | 407425.00 | 396948.00 | 371615.43 | 391278.00 | 419249.00 | 357242.00 | 410623.00 | 377313.17 | 388464.00 | 326923.33 | 423706.00 | 395843.00 | 375683.89 | 382210.67 | |
| L-VALINE | 4318687.00 | 3306679.50 | 3497640.00 | 3413830.00 | 4080321.00 | 2977704.50 | 3239223.00 | 4067155.00 | 3421178.86 | 3226549.33 | 5151062.00 | 2329181.00 | 2487711.00 | 2963598.83 | 3473780.33 | 2710293.00 | 2832519.00 | 3902250.00 | 3527982.89 | 2396809.33 | |
| LysoPC (18:1) | 4518752.50 | 4755893.50 | 8874407.25 | 5710200.00 | 2176749.00 | 5482963.00 | 3333174.00 | 6878342.00 | 7973521.86 | 6022629.67 | 8928333.00 | 10700000.00 | 3842942.00 | 7907668.33 | 5313506.00 | 2311492.33 | 4193050.00 | 1936961.00 | 6876169.00 | 2941029.00 | |
| LysoPE (16:0)_R1 | 1245731.00 | 938541.50 | 1577822.25 | 793463.00 | 643883.00 | 941925.50 | 887108.00 | 1337797.00 | 1714355.86 | 1018708.00 | 2187143.00 | 2046704.00 | 718005.00 | 1682956.83 | 960758.67 | 456819.67 | 988430.00 | 439794.00 | 1326665.11 | 904793.33 | |
| LysoPE (16:0)_R2 | 148032.00 | 126420.00 | 194941.00 | 103331.00 | 90081.00 | 110960.00 | 113833.00 | 168285.00 | 683502.29 | 134177.33 | 241620.00 | 268986.00 | 87240.00 | 755683.17 | 188405.00 | 122557.00 | 117579.50 | 80171.00 | 183239.33 | 107527.33 | |
| LysoPE (18:0) | 1594860.00 | 1038624.50 | 1540228.00 | 867844.00 | 502046.00 | 956754.50 | 988577.00 | 1006841.50 | 1701874.71 | 953331.67 | 1872059.00 | 1743224.00 | 535741.00 | 1616754.67 | 873518.33 | 399902.00 | 1000853.50 | 457744.00 | 1359562.78 | 929112.67 | |
| LysoPE (18:1)_R1 | 1214526.00 | 1012421.50 | 1873906.75 | 1452566.00 | 760091.00 | 1102283.50 | 779179.00 | 1899029.50 | 1829924.14 | 1435705.00 | 3024665.00 | 1090188.00 | 945400.00 | 2051514.50 | 1041292.00 | 610883.33 | 876842.50 | 625905.00 | 1610561.33 | 764462.00 | |
| LysoPE (18:1)_R2 | 760857.00 | 352412.50 | 1472022.00 | 372210.00 | 262626.00 | 909340.50 | 803290.00 | 1955591.00 | 1397868.57 | 884612.67 | 3120149.00 | 484962.00 | 201441.00 | 1819111.17 | 615126.33 | 139821.33 | 352037.50 | 326116.00 | 1186292.33 | 463862.00 | |
| LysoPE (20:4) | 9916770.50 | 6410351.50 | 7490739.25 | 7269901.00 | 5904706.00 | 4599814.50 | 3443677.00 | 2210464.50 | 6724743.71 | 3846104.67 | 4156439.00 | 7281964.00 | 2755885.00 | 8397220.17 | 5544855.67 | 2252047.00 | 6311863.50 | 6706002.00 | 9045262.00 | 6081908.00 | |
| LysoPE (22:6) | 1574666.00 | 1083721.00 | 1810892.25 | 1123690.00 | 1991894.00 | 959651.50 | 897839.00 | 1706568.50 | 2016668.43 | 1144769.00 | 1548733.00 | 4410938.00 | 662352.00 | 2072843.83 | 1217007.67 | 725143.00 | 1704606.50 | 1202401.00 | 2529595.00 | 1310967.33 | |
| MALATE;OXALOACETATE+2H-H | 14850000.00 | 10294469.00 | 15100000.00 | 12500000.00 | 14400000.00 | 12100000.00 | 13000000.00 | 16100000.00 | 12973110.00 | 14433333.33 | 15700000.00 | 12700000.00 | 11100000.00 | 14060893.50 | 15462122.33 | 13133333.33 | 16050000.00 | 10900000.00 | 15822222.22 | 16000000.00 | |
| Mannitol;HEXOSE ALCOHOL | 257126.50 | 343689.00 | 329434.50 | 1045704.00 | 133473.00 | 726243.00 | 304610.00 | 870747.00 | 1328152.14 | 420514.67 | 7652009.00 | 255887.00 | 242208.00 | 747460.50 | 350242.00 | 743420.00 | 711425.50 | 243170.00 | 1859293.78 | 684322.33 | |
| Mono-(2-Ethylhexyl) Phthalate Dimer | 20900000.00 | 19400000.00 | 29100000.00 | 19400000.00 | 11100000.00 | 21000000.00 | 20000000.00 | 23050000.00 | 26942857.14 | 20433333.33 | 30600000.00 | 34100000.00 | 16000000.00 | 27504201.17 | 18825153.33 | 9313029.00 | 19200000.00 | 9899712.00 | 24900000.00 | 14666666.67 | |
| Monoethyl phthalate (mEP) | 116411.50 | 90039.50 | 67442.75 | 30323.00 | 38132.00 | 618254.00 | 210347.00 | 998106.50 | 136660.57 | 594730.00 | 200006.00 | 96888.00 | 48760.00 | 144163.00 | 182237.33 | 274030.33 | 216279.50 | 166116.00 | 129929.67 | 1034271.67 | |
| N-ACETYL-DL-GLUTAMIC ACID | 110097.00 | 102767.00 | 107862.00 | 82347.00 | 84117.00 | 85005.00 | 138429.00 | 285363.50 | 145235.00 | 98609.00 | 478274.00 | 94982.00 | 69341.00 | 100908.83 | 80062.33 | 101374.33 | 111903.00 | 193104.00 | 105920.22 | 84182.67 | |
| N-ACETYL-DL-SERINE;O-ACETYL-L-SERINE | 3505803.00 | 2760517.50 | 3418281.50 | 2722392.00 | 3166451.00 | 2372779.00 | 2676516.00 | 3906355.50 | 3193798.71 | 3384484.00 | 3940643.00 | 2736264.00 | 2806839.00 | 3136557.17 | 3058343.33 | 3057260.67 | 3009201.00 | 2173163.00 | 3426189.89 | 3197213.67 | |
| N-ACETYL-D-MANNOSAMINE | 2124615.00 | 1618405.00 | 1799389.25 | 1749749.00 | 1637165.00 | 2179187.00 | 1243417.00 | 1433360.00 | 1764075.86 | 1536192.33 | 1679629.00 | 1400993.00 | 1709354.00 | 1694152.17 | 1759051.33 | 1724119.33 | 1701972.00 | 1912801.00 | 1543730.56 | 1938563.33 | |
| N-ACETYLGLYCINE | 3923679.00 | 6571811.00 | 6964630.75 | 5645037.00 | 16300000.00 | 13289442.50 | 3644308.00 | 5228030.00 | 9755569.29 | 7277464.67 | 9629973.00 | 14800000.00 | 11400000.00 | 9808243.17 | 4649982.67 | 6347600.33 | 4016435.50 | 4936881.00 | 6564121.33 | 6741553.33 | |
| N-ACETYLNEURAMINATE | 1825931.50 | 1461630.50 | 980826.50 | 1473163.00 | 1239604.00 | 747381.50 | 1197814.00 | 812101.50 | 1463894.14 | 1041702.67 | 1048800.00 | 1273770.00 | 982605.00 | 790723.17 | 945492.67 | 856750.67 | 2703870.50 | 1462065.00 | 955653.22 | 1549459.33 | |
| N-ACETYLSEROTONIN | 1035868.50 | 978908.00 | 945534.50 | 898432.00 | 848288.00 | 958573.00 | 959967.00 | 995972.50 | 903549.29 | 976548.00 | 960333.00 | 928897.00 | 1065878.00 | 902235.17 | 975068.33 | 905467.33 | 940273.00 | 934215.00 | 859839.33 | 1022947.33 | |
| NALPHA-ACETYL-L-LYSINE | 794451.50 | 688267.00 | 770579.00 | 705174.00 | 710066.00 | 544659.00 | 639060.00 | 916114.00 | 781564.29 | 778125.33 | 1081458.00 | 638556.00 | 660204.00 | 721111.17 | 611065.33 | 743096.33 | 757767.00 | 796821.00 | 701147.67 | 759180.33 | |
| N-BOC-L-Aspartic Acid_R1 | 42450000.00 | 38100000.00 | 40300000.00 | 39300000.00 | 39600000.00 | 40600000.00 | 39200000.00 | 41250000.00 | 39928571.43 | 42666666.67 | 44100000.00 | 45900000.00 | 41300000.00 | 40050000.00 | 41766666.67 | 40533333.33 | 41950000.00 | 40800000.00 | 39766666.67 | 39600000.00 | |
| N-BOC-L-Aspartic Acid_R2 | 5133584.00 | 4530665.50 | 4799357.25 | 4743554.00 | 4681267.00 | 4983426.50 | 4427113.00 | 5013369.50 | 4792506.14 | 5216010.67 | 5167940.00 | 5450869.00 | 4941550.00 | 4893154.33 | 5041502.00 | 4783622.00 | 5083348.00 | 4763856.00 | 4734630.78 | 4684404.67 | |
| N-BOC-L-tert-Leucine_R1 | 98800000.00 | 94900000.00 | 97425000.00 | 94300000.00 | 93600000.00 | 98250000.00 | 93300000.00 | 100050000.00 | 94871428.57 | 96433333.33 | 99600000.00 | 96000000.00 | 98000000.00 | 99066666.67 | 97000000.00 | 95133333.33 | 98800000.00 | 94200000.00 | 97344444.44 | 96400000.00 | |
| N-BOC-L-tert-Leucine_R2 | 73400000.00 | 71650000.00 | 72825000.00 | 72200000.00 | 70000000.00 | 72900000.00 | 71200000.00 | 74450000.00 | 71642857.14 | 71766666.67 | 73200000.00 | 72600000.00 | 73500000.00 | 73383333.33 | 72600000.00 | 72100000.00 | 74450000.00 | 72200000.00 | 72844444.44 | 73266666.67 | |
| N-BOC-L-Tryptophan_R1 | 39350000.00 | 33400000.00 | 38800000.00 | 38200000.00 | 33100000.00 | 43100000.00 | 45500000.00 | 35750000.00 | 36828571.43 | 36366666.67 | 31700000.00 | 39600000.00 | 36400000.00 | 41716666.67 | 41266666.67 | 40300000.00 | 40250000.00 | 34500000.00 | 39566666.67 | 40900000.00 | |
| N-BOC-L-Tryptophan_R2 | 26950000.00 | 22850000.00 | 26750000.00 | 26000000.00 | 23000000.00 | 30400000.00 | 31900000.00 | 25400000.00 | 24842857.14 | 25166666.67 | 21700000.00 | 27000000.00 | 25000000.00 | 29150000.00 | 29000000.00 | 27400000.00 | 27800000.00 | 23400000.00 | 27366666.67 | 27966666.67 | |
| N-FORMYLGLYCINE | 571934.50 | 533256.50 | 639002.00 | 678994.00 | 899751.00 | 816345.00 | 412764.00 | 601940.50 | 654386.14 | 723627.67 | 648771.00 | 402835.00 | 705639.00 | 622371.00 | 611035.00 | 588835.33 | 626369.50 | 1157377.00 | 520243.11 | 684494.00 | |
| N-formyl-L-methionine | 627647.50 | 692732.00 | 750482.00 | 593233.00 | 586146.00 | 587675.00 | 549161.00 | 817539.50 | 730415.71 | 780047.33 | 926075.00 | 714213.00 | 510262.00 | 705145.83 | 572354.00 | 803978.67 | 656473.00 | 657389.00 | 630476.44 | 568880.67 | |
| N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoadipic Acid... | 892796.50 | 809404.00 | 975817.50 | 718752.00 | 811836.00 | 1224059.50 | 867099.00 | 687664.50 | 940323.71 | 1002184.67 | 699822.00 | 926200.00 | 662662.00 | 941725.50 | 952925.33 | 824038.00 | 845955.50 | 1406453.00 | 820306.11 | 689341.33 | |
| N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoadipic Acid... | 173466.00 | 561447.50 | 825352.25 | 734699.00 | 833944.00 | 696569.50 | 856274.00 | 444969.00 | 439916.43 | 737811.33 | 729410.00 | 953054.00 | 668213.00 | 472107.17 | 479287.00 | 618330.67 | 111436.00 | 1473331.00 | 312896.67 | 513034.67 | |
| Pantothenic Acid | 1820521.50 | 3980694.00 | 1968512.75 | 1503514.00 | 1894984.00 | 1189800.00 | 2025403.00 | 3553371.00 | 2726148.14 | 2667422.33 | 2392553.00 | 8713656.00 | 1121844.00 | 1687708.17 | 1345880.67 | 1118756.00 | 3747052.50 | 1570027.00 | 1450782.44 | 1071483.67 | |
| PHOSPHOCHOLINE | 24250000.00 | 18000000.00 | 19575000.00 | 15900000.00 | 18000000.00 | 17500000.00 | 18200000.00 | 16850000.00 | 17228571.43 | 17666666.67 | 17900000.00 | 18400000.00 | 17800000.00 | 18783333.33 | 20433333.33 | 19733333.33 | 17900000.00 | 16500000.00 | 21400000.00 | 20733333.33 | |
| Plasmenyl-LysoPE (P-18:1) | 48846.00 | 30058.00 | 44097.00 | 41900.00 | 31569.00 | 41766.00 | 66409.00 | 20934.50 | 65452.86 | 31828.33 | 63291.00 | 69206.00 | 7395.00 | 39714.00 | 30027.00 | 13991.33 | 33642.00 | 20406.00 | 48547.67 | 34575.33 | |
| PYRIDOXAL | 22281.50 | 284642.50 | 43146.00 | 23138.00 | 50169.00 | 42380.50 | 34940.00 | 43778.50 | 30579.29 | 43562.00 | 43396.00 | 55719.00 | 29295.00 | 38541.83 | 34243.67 | 37423.67 | 52548.00 | 48070.00 | 36488.78 | 21400.67 | |
| PYRIDOXAMINE | 75248.50 | 33214.50 | 88203.50 | 87208.00 | 42265.00 | 21177.00 | 25620.00 | 101496.00 | 74704.71 | 23318.67 | 139482.00 | 150662.00 | 14904.00 | 74717.33 | 64767.67 | 78274.00 | 63725.50 | 13802.00 | 86314.22 | 144858.33 | |
| Pyruvate | 29850000.00 | 13782472.00 | 22425000.00 | 17200000.00 | 9830086.00 | 16820899.50 | 16700000.00 | 21200000.00 | 15324600.29 | 21909154.33 | 16400000.00 | 6517015.00 | 18900000.00 | 15400000.00 | 24033333.33 | 20233333.33 | 23200000.00 | 10100000.00 | 20959488.56 | 32800000.00 | |
| Salicylic Acid-D4 | 18800000.00 | 17100000.00 | 17975000.00 | 18100000.00 | 17800000.00 | 17950000.00 | 16900000.00 | 16400000.00 | 18085714.29 | 18766666.67 | 18900000.00 | 18500000.00 | 18000000.00 | 18950000.00 | 19033333.33 | 17300000.00 | 17200000.00 | 18600000.00 | 18455555.56 | 18333333.33 | |
| SARCOSINE/BETA-ALANINE | 808353.50 | 491975.00 | 473825.00 | 442667.00 | 1144197.00 | 773246.50 | 918224.00 | 438581.50 | 637983.57 | 513740.67 | 955982.00 | 828886.00 | 569590.00 | 677877.00 | 614990.33 | 769272.33 | 542298.00 | 1279365.00 | 794020.67 | 994899.00 | |
| S-CARBOXYMETHYL-L-CYSTEINE | 107466.00 | 138395.00 | 90613.25 | 94164.00 | 93924.00 | 93926.00 | 68407.00 | 86122.50 | 80893.57 | 111502.33 | 114291.00 | 138600.00 | 75284.00 | 108299.00 | 107743.33 | 91382.67 | 79074.00 | 98730.00 | 101811.00 | 65762.33 | |
| Sphingosine-1-phosphate | 694190.50 | 263379.50 | 429510.25 | 458663.00 | 270781.00 | 337703.00 | 262899.00 | 139744.00 | 487422.00 | 262904.67 | 268727.00 | 535645.00 | 103504.00 | 486672.67 | 405636.00 | 121511.33 | 401493.50 | 198111.00 | 385921.22 | 323331.00 | |
| SUCCINATE | 7222135.00 | 5519230.00 | 5849783.50 | 5928482.00 | 7208846.00 | 6287214.50 | 4999144.00 | 4999674.50 | 5829015.00 | 7090299.67 | 7337534.00 | 7004112.00 | 5597281.00 | 6825860.00 | 5367073.67 | 5581800.33 | 5407777.50 | 6943030.00 | 5917895.44 | 4903258.00 | |
| Succinic-2,2,3,3-D4 Acid | 7935530.00 | 6839972.50 | 7565727.50 | 7388868.00 | 7258738.00 | 7109090.50 | 6958096.00 | 7932235.00 | 7293045.57 | 7926702.00 | 8326805.00 | 8310179.00 | 7270307.00 | 7288338.00 | 7667829.67 | 7188102.33 | 7262313.00 | 8221955.00 | 7291666.44 | 6624043.33 | |
| Sulfoacetaldehyde | 330405.50 | 252820.50 | 265295.00 | 289004.00 | 329938.00 | 231843.50 | 147500.00 | 227692.50 | 256820.86 | 223832.33 | 176480.00 | 258950.00 | 349488.00 | 337856.50 | 277227.00 | 301730.33 | 292212.50 | 266511.00 | 301060.78 | 287102.33 | |
| TARTARIC ACID | 178893.00 | 180125.50 | 144115.25 | 4565566.00 | 131702.00 | 138330.00 | 142430.00 | 340429.00 | 298513.29 | 2201808.33 | 490792.00 | 135059.00 | 165005.00 | 664578.17 | 190623.67 | 246090.00 | 193775.50 | 12100000.00 | 161579.56 | 201722.33 | |
| TAURINE | 42850000.00 | 38750000.00 | 26375000.00 | 36100000.00 | 31100000.00 | 21300000.00 | 22800000.00 | 14373304.00 | 27424015.71 | 17900000.00 | 26400000.00 | 22400000.00 | 13600000.00 | 20218088.83 | 20433333.33 | 19200000.00 | 25500000.00 | 27700000.00 | 24348812.67 | 25366666.67 | |
| Taurocholic acid (TCA) | 435259.00 | 185899.00 | 129271.00 | 397597.00 | 177150.00 | 55243.00 | 108480.00 | 852183.50 | 581517.00 | 732732.67 | 444651.00 | 33354.00 | 363008.00 | 408103.00 | 432152.67 | 680944.00 | 179651.00 | 138560.00 | 538645.11 | 652694.33 | |
| Taurodeoxycholic Acid (T-DCA) | 541704.50 | 430502.50 | 388356.25 | 1369570.00 | 264367.00 | 194473.00 | 196627.00 | 1323091.00 | 1019477.57 | 337367.00 | 1085213.00 | 106284.00 | 791119.00 | 1105973.33 | 1151649.00 | 1721910.33 | 508730.50 | 309643.00 | 851975.44 | 928993.67 | |
| Tauroursodeoxycholic acid (T-UDCA) | 107926.50 | 26034.00 | 23802.75 | 149167.00 | 20567.00 | 13780.50 | 40614.00 | 486872.50 | 83820.29 | 36050.00 | 197854.00 | 15001.00 | 30132.00 | 62266.50 | 24999.67 | 62282.67 | 28213.00 | 34709.00 | 62467.22 | 131333.00 | |
| THREONINE/HOMOSERINE | 11263056.00 | 10245760.50 | 7965935.50 | 8696342.00 | 8411127.00 | 20000000.00 | 21400000.00 | 8933910.00 | 10600811.71 | 12921599.00 | 9842407.00 | 7811765.00 | 13200000.00 | 7460388.83 | 14433333.33 | 13965367.67 | 13364790.00 | 15900000.00 | 8404391.56 | 7031490.00 | |
| Tryptophan | 73000000.00 | 76050000.00 | 76000000.00 | 64000000.00 | 62600000.00 | 73200000.00 | 63900000.00 | 83200000.00 | 80228571.43 | 79466666.67 | 85000000.00 | 73100000.00 | 76400000.00 | 68700000.00 | 66633333.33 | 54966666.67 | 53550000.00 | 75200000.00 | 70711111.11 | 53066666.67 | |
| Tryptophan-2,3,3-D3 | 12950000.00 | 12200000.00 | 12450000.00 | 12700000.00 | 11900000.00 | 12450000.00 | 12300000.00 | 12750000.00 | 12471428.57 | 12633333.33 | 12400000.00 | 13000000.00 | 12800000.00 | 12683333.33 | 13166666.67 | 12500000.00 | 12800000.00 | 12600000.00 | 12511111.11 | 12533333.33 | |
| Uracil | 365778.00 | 430822.50 | 229470.50 | 401069.00 | 226968.00 | 161398.00 | 156155.00 | 183075.50 | 229386.14 | 208100.33 | 223344.00 | 228233.00 | 201145.00 | 200113.33 | 214436.67 | 176361.33 | 191072.00 | 187616.00 | 194479.33 | 182423.67 | |
| URATE_R1 | 208500000.00 | 201000000.00 | 215750000.00 | 197000000.00 | 191000000.00 | 207000000.00 | 196000000.00 | 230000000.00 | 202714285.71 | 217333333.33 | 210000000.00 | 203000000.00 | 189000000.00 | 206833333.33 | 203666666.67 | 202666666.67 | 204000000.00 | 211000000.00 | 195333333.33 | 215333333.33 | |
| URATE_R2 | 3531132.50 | 2567949.00 | 3584870.50 | 2545101.00 | 1968587.00 | 2907964.00 | 2596162.00 | 4292698.00 | 2881454.86 | 3338271.00 | 3366832.00 | 2723694.00 | 2181810.00 | 2945676.17 | 3034476.00 | 2959520.00 | 2674047.50 | 3179754.00 | 2551141.78 | 3328219.67 | |
| UROCANATE | 451668.50 | 230404.50 | 300126.25 | 174586.00 | 225026.00 | 290251.00 | 520908.00 | 201976.00 | 292404.14 | 399749.33 | 515784.00 | 334479.00 | 296066.00 | 418369.33 | 318404.00 | 413172.00 | 371489.00 | 224547.00 | 466020.56 | 289584.33 | |
| Ursodeoxycholic Acid (UDCA)_R1 | 422120.00 | 527988.50 | 376388.75 | 281638.00 | 31825.00 | 187029.50 | 1265419.00 | 135708.50 | 304074.57 | 154095.00 | 253881.00 | 46587.00 | 139480.00 | 158847.33 | 114746.33 | 327601.00 | 139823.00 | 48065.00 | 102245.67 | 335838.00 | |
| Ursodeoxycholic Acid (UDCA)_R2 | 353941.00 | 416565.50 | 253491.50 | 261183.00 | 44729.00 | 52332.50 | 1054130.00 | 133580.00 | 236158.43 | 137440.67 | 253646.00 | 67462.00 | 136117.00 | 144106.17 | 55579.33 | 245557.00 | 78172.00 | 41930.00 | 66198.67 | 310640.00 | |
| Vanilloylglycine_R1 | 2163531.00 | 8422403.00 | 3516855.75 | 231076.00 | 157514.00 | 1964605.50 | 241000.00 | 383831.00 | 369364.29 | 6351212.33 | 575378.00 | 229077.00 | 1102985.00 | 206439.50 | 1095240.33 | 393883.00 | 1674680.50 | 256350.00 | 205236.11 | 161056.00 | |
| Vanilloylglycine_R2 | 263306.50 | 94796.00 | 94655.50 | 88933.00 | 157514.00 | 92270.00 | 209222.00 | 180510.50 | 127362.29 | 119168.67 | 117371.00 | 113551.00 | 124808.00 | 95247.17 | 1058280.00 | 112967.67 | 68900.50 | 89895.00 | 94622.78 | 119454.00 | |
| Xanthurenic Acid | 137460.50 | 161573.00 | 106034.25 | 167931.00 | 258447.00 | 122884.50 | 154834.00 | 210061.00 | 138229.00 | 181069.67 | 185646.00 | 203046.00 | 72494.00 | 85767.83 | 96393.33 | 73415.33 | 72175.00 | 149251.00 | 121751.11 | 85295.00 |
Factors:
| F1 | race:1 | diplotype:1 | ethnicity:1 | ever_smoked:1 | daily_dose:2 |
| F2 | race:1 | diplotype:1 | ethnicity:2 | ever_smoked:1 | daily_dose:2 |
| F3 | race:1 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 |
| F4 | race:1 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:3 |
| F5 | race:1 | diplotype:2 | ethnicity:1 | ever_smoked:2 | daily_dose:2 |
| F6 | race:1 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:2 |
| F7 | race:1 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:3 |
| F8 | race:1 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:4 |
| F9 | race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 |
| F10 | race:1 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:3 |
| F11 | race:1 | diplotype:2 | ethnicity:- | ever_smoked:2 | daily_dose:3 |
| F12 | race:2 | diplotype:1 | ethnicity:2 | ever_smoked:1 | daily_dose:2 |
| F13 | race:2 | diplotype:1 | ethnicity:2 | ever_smoked:1 | daily_dose:4 |
| F14 | race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:2 |
| F15 | race:2 | diplotype:1 | ethnicity:2 | ever_smoked:2 | daily_dose:3 |
| F16 | race:2 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:2 |
| F17 | race:2 | diplotype:2 | ethnicity:2 | ever_smoked:1 | daily_dose:3 |
| F18 | race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:1 |
| F19 | race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:2 |
| F20 | race:2 | diplotype:2 | ethnicity:2 | ever_smoked:2 | daily_dose:4 |
