Data for ST002470
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-cis-Retinoic acid | 552.20 | 363.20 | 630.43 | 471.33 | 681.00 | 1561.25 | 1395.75 | 2018.00 | 406.00 | 974.50 | |
| 1-Methyladenosine | 5812.80 | 9073.29 | 2969.07 | 2197.00 | 4547.00 | 3094.60 | 3093.60 | 2995.50 | 5106.00 | 7157.50 | |
| 1-Methylguanine | 683735.00 | 970724.67 | 541627.56 | 371021.75 | 619355.00 | 590480.07 | 675281.55 | 439505.50 | 661272.50 | 653398.00 | |
| 1-Methylguanosine | 7945.50 | 10916.67 | 5913.67 | 3992.25 | 6196.50 | 6688.86 | 7340.18 | 5118.00 | 7755.00 | 7431.00 | |
| 1-Methylhistamine | 564395.30 | 728682.58 | 414474.33 | 471488.75 | 454162.50 | 488479.71 | 591050.09 | 498626.00 | 523318.50 | 408320.50 | |
| 1-Methyl nicotinamide | 36125.80 | 47487.96 | 23470.72 | 15861.25 | 21642.50 | 23342.71 | 20618.73 | 19918.00 | 47393.00 | 22057.00 | |
| 2-Aminobenzoic acid | 103345.29 | 39288.67 | 14456.18 | 4955.50 | 131799.00 | 775.43 | 1517.25 | 231.00 | 339.00 | 4172.00 | |
| 2-Aminooctanoic acid | 2097.30 | 1436.54 | 3131.33 | 2618.25 | 4776.00 | 2348.21 | 2150.00 | 1845.00 | 3697.00 | 1349.00 | |
| 3-Dehydroxycarnitine | 223744.80 | 288649.21 | 293897.44 | 253958.00 | 271582.00 | 235994.93 | 223142.82 | 247662.50 | 346143.50 | 396755.00 | |
| 3-Methylhistidine | 101104.80 | 52664.79 | 110859.89 | 63474.50 | 33394.50 | 139390.64 | 113044.09 | 60541.00 | 98769.50 | 49273.50 | |
| 3-Methylxanthine | 1010.29 | 1326.40 | 3495.22 | 2175.75 | 3171.00 | 3415.64 | 4164.70 | 5229.50 | 2526.00 | 1123.50 | |
| 3-(N-Acetyl-L-cystein-S-yl) acetaminophen | 139200.33 | 136586.57 | 3455.00 | 5030.00 | 2056.00 | 4529.67 | 11716.50 | - | 93.00 | 135590.00 | |
| 4-Acetamidobutanoic acid | 637.10 | 593.67 | 696.39 | 701.00 | 633.00 | 804.36 | 765.18 | 555.00 | 568.00 | 454.00 | |
| 4-Aminohippuric acid | 2533.60 | 1860.08 | 2283.11 | 1719.00 | 1439.00 | 3035.57 | 2184.73 | 2429.00 | 3488.50 | 1622.50 | |
| 4-Guanidinobutanoic acid | 284.67 | 193.17 | 168.67 | 157.00 | 328.00 | 207.43 | 283.82 | 204.00 | 126.00 | 37.50 | |
| 4-Pyridoxic acid | 6717.50 | 5844.42 | 11481.89 | 9868.25 | 4260.00 | 21323.00 | 9483.27 | 21715.00 | 9553.50 | 8857.00 | |
| 5-Acetylamino-6-amino-3-methyluracil | 491.25 | 377.44 | 341.00 | 253.00 | 663.00 | 336.85 | 390.82 | 438.00 | 346.00 | 544.00 | |
| 5-Amino-levulinic acid | 18784805.50 | 12617543.79 | 16141784.94 | 14328277.25 | 18082864.00 | 15716575.36 | 14671015.73 | 11774778.50 | 19731672.50 | 8281871.00 | |
| 7-Methylguanine | 20253.30 | 19598.75 | 14692.61 | 13200.00 | 18504.50 | 13981.93 | 14601.27 | 12970.00 | 14537.50 | 13948.50 | |
| 7-Methylxanthine | 1452.56 | 1847.15 | 9058.67 | 7583.00 | 3217.00 | 7588.29 | 8322.00 | 12338.00 | 3084.50 | 2917.50 | |
| Acetaminophen | 78187.40 | 67139.96 | 4632.67 | 1264.75 | 3066.50 | 6709.36 | 8311.27 | 1983.00 | 2041.00 | 225355.50 | |
| Acisoga | 231443.00 | 265678.54 | 148613.50 | 218335.00 | 331279.00 | 144391.71 | 204250.18 | 160640.50 | 228249.50 | 200851.50 | |
| Adenosine | 432.67 | 771.52 | 664.06 | 736.50 | 416.00 | 747.31 | 827.64 | 18927.50 | 766.00 | 1920.50 | |
| Agmatine | 186.30 | 212.50 | 406.44 | 173.00 | 109.50 | 178.79 | 166.91 | 267.00 | 195.00 | 880.50 | |
| Ala-Ala | 445.60 | 1697.29 | 527.00 | 373.25 | 485.00 | 351.57 | 414.27 | 868.50 | 237.00 | 3932.00 | |
| Alanine | 37937.10 | 47379.12 | 56745.22 | 52990.00 | 53367.50 | 63025.50 | 53883.18 | 70263.50 | 50508.50 | 42381.00 | |
| Allantoin | 128.40 | 315.09 | 256.89 | 349.50 | 624.00 | 349.43 | 296.45 | 189.50 | 154.50 | 70.00 | |
| alpha-N-Phenylacetylglutamine | 514500.10 | 322647.67 | 790454.17 | 966905.00 | 394108.00 | 1315349.93 | 895001.45 | 277273.50 | 555756.00 | 967571.50 | |
| alpha-Tocopherol | 126761.20 | 137235.96 | 137306.17 | 130038.50 | 810350.50 | 119743.07 | 133971.82 | 133154.00 | 78226.00 | 161773.50 | |
| Aminoisobutyric acid | 629321.70 | 535834.38 | 372676.94 | 260043.50 | 316549.50 | 434838.79 | 380662.36 | 484048.00 | 642636.50 | 437921.00 | |
| Anserine | 45.75 | 122.45 | 3820.24 | 8.50 | 135.50 | 1012.92 | 1097.12 | 84.50 | 692.50 | 429.50 | |
| Arginine | 247090.80 | 191388.58 | 246454.33 | 227547.50 | 235097.50 | 249841.86 | 332072.64 | 347945.00 | 242960.00 | 58043.50 | |
| Asparagine | 35486.30 | 36135.79 | 41825.72 | 36233.25 | 38739.00 | 46395.79 | 38168.27 | 52966.50 | 45669.00 | 30693.00 | |
| Aspartic acid | 1073.70 | 1806.25 | 1083.39 | 715.75 | 1212.00 | 844.50 | 914.73 | 3539.50 | 1245.00 | 4703.50 | |
| beta-Alanine | 1476304.50 | 1966555.33 | 2333653.39 | 2380809.00 | 2009878.00 | 2422026.36 | 2199388.73 | 2546228.00 | 1912161.50 | 1664013.50 | |
| Betaine | 4204660.80 | 4709155.71 | 5025878.72 | 4658143.00 | 5169096.50 | 4576909.14 | 4325550.36 | 5048444.00 | 5350825.50 | 4015834.00 | |
| Biliverdin | 579582.80 | 306716.75 | 264739.61 | 147359.00 | 297003.50 | 296201.14 | 239697.09 | 258102.00 | 422576.00 | 466725.50 | |
| C16 Sphingosine | 1294.70 | 2115.92 | 2661.78 | 1735.25 | 1945.50 | 1761.00 | 32079.73 | 1013.00 | 1142.50 | 967.50 | |
| C17 Sphinganine | 9160511.90 | 9213148.00 | 9082483.44 | 9489013.50 | 9850855.00 | 9390632.71 | 9426996.64 | 9649748.00 | 9503403.50 | 10002611.00 | |
| C20 Sphinganine | 17092.00 | 15447.96 | 14538.78 | 14804.00 | 17782.50 | 27099.50 | 19826.64 | 22686.00 | 20430.00 | 26698.00 | |
| C20 Sphingosine | 13758.20 | 19163.12 | 31484.56 | 43576.75 | 17353.50 | 19463.21 | 25103.09 | 5372.00 | 6656.00 | 5326.50 | |
| C22 Sphingosine | 10119.50 | 11238.92 | 9842.06 | 14409.50 | 15290.50 | 12132.00 | 15446.09 | 2505.50 | 3146.00 | 3104.00 | |
| Caffeine | 17945.30 | 15024.75 | 16189.94 | 18928.25 | 41550.50 | 61161.93 | 32965.00 | 59693.00 | 70983.00 | 11290.50 | |
| CAR 10:0 | 42362.20 | 40400.38 | 32231.78 | 37920.50 | 30829.00 | 19350.50 | 31790.64 | 62358.00 | 55813.50 | 18221.50 | |
| CAR 10:1 | 39280.20 | 36873.75 | 28199.17 | 26950.25 | 20272.50 | 18552.57 | 22492.64 | 54675.00 | 47964.00 | 18447.50 | |
| CAR 12:0 | 22933.00 | 16630.42 | 12906.61 | 11968.00 | 11897.00 | 10597.36 | 12027.91 | 30919.50 | 23508.00 | 12196.00 | |
| CAR 12:1 | 41684.40 | 32415.08 | 19139.72 | 18493.25 | 14650.50 | 11330.93 | 18045.55 | 55904.00 | 37046.00 | 19788.50 | |
| CAR 14:0 | 22600.20 | 20062.25 | 18440.22 | 10237.50 | 23434.50 | 28294.00 | 17298.73 | 24730.50 | 16561.00 | 14559.50 | |
| CAR 14:1 | 61009.00 | 45380.33 | 17441.89 | 18359.25 | 15279.50 | 11704.57 | 20676.73 | 43015.50 | 32122.00 | 21810.00 | |
| CAR 14:2 | 46138.00 | 32126.42 | 14154.44 | 12897.50 | 9435.00 | 10459.36 | 14378.45 | 42902.50 | 29200.00 | 16134.00 | |
| CAR 16:0 | 151612.10 | 196161.79 | 131748.00 | 99821.25 | 160582.00 | 163712.64 | 141737.27 | 191558.00 | 91083.00 | 101192.50 | |
| CAR 18:0 | 34367.00 | 36513.04 | 36333.22 | 22653.75 | 40026.00 | 36871.07 | 28221.91 | 47051.00 | 24761.50 | 44382.00 | |
| CAR 18:1 | 262792.80 | 342075.04 | 172482.44 | 155345.25 | 218404.50 | 194038.21 | 221930.09 | 210253.50 | 131719.00 | 145338.50 | |
| CAR 18:2 | 239945.00 | 323953.17 | 182339.56 | 137674.75 | 172606.00 | 224820.93 | 202610.91 | 217709.50 | 118257.50 | 115307.00 | |
| CAR 2:0 | 5372268.60 | 4897088.42 | 2895583.11 | 2665408.75 | 3045957.00 | 2699538.00 | 3487648.82 | 4406291.00 | 4885708.50 | 3685434.00 | |
| CAR 20:4 | 15797.00 | 25684.67 | 14448.50 | 7701.00 | 13907.50 | 18813.86 | 14394.45 | 25107.00 | 8899.50 | 11982.50 | |
| CAR 26:0 | 12170.80 | 10112.17 | 14534.44 | 14738.50 | 13765.50 | 23216.50 | 21362.36 | 16222.50 | 13214.00 | 14330.50 | |
| CAR 3:0 | 129112.10 | 129234.38 | 224562.83 | 170429.00 | 173958.00 | 265062.00 | 231171.36 | 165178.00 | 427913.00 | 218072.50 | |
| CAR 4:0 | 122260.80 | 113718.83 | 131585.00 | 102551.00 | 101457.00 | 193100.86 | 143877.36 | 214359.00 | 331090.50 | 105565.50 | |
| CAR 4:0;OH | 60444.40 | 35828.96 | 6311.83 | 2713.50 | 4716.00 | 3865.14 | 5767.27 | 10189.00 | 11090.00 | 11322.50 | |
| CAR 5:0 | 47018.90 | 50035.25 | 64052.56 | 30296.50 | 29397.50 | 61279.07 | 48829.55 | 27674.00 | 89893.50 | 50295.00 | |
| CAR 5:1 | 4898.10 | 2785.92 | 5680.50 | 3110.50 | 3121.50 | 6698.07 | 4309.00 | 3937.00 | 9698.50 | 2088.50 | |
| CAR 6:0 | 13145.00 | 12523.12 | 5899.83 | 6634.00 | 5401.00 | 4550.00 | 6772.91 | 12260.50 | 12610.00 | 6999.50 | |
| CAR 7:0 | 1310.00 | 949.75 | 698.78 | 629.00 | 949.00 | 761.86 | 881.64 | 961.50 | 1836.50 | 572.00 | |
| CAR 8:0 | 22200.80 | 22271.21 | 15952.17 | 19034.75 | 14443.50 | 8552.71 | 14854.27 | 27977.00 | 25325.50 | 13373.00 | |
| CAR 9:0 | 552.60 | 438.75 | 860.50 | 588.50 | 1519.00 | 924.36 | 689.09 | 619.50 | 1530.00 | 574.50 | |
| CAR DC3:0;2Me | 3940.00 | 4128.17 | 5017.00 | 1837.00 | 4565.00 | 2911.71 | 2232.82 | 3572.50 | 3413.50 | 13199.00 | |
| CAR DC5:0 | 5999.30 | 4652.08 | 4224.28 | 4105.00 | 4236.00 | 4430.00 | 3767.64 | 2703.00 | 3685.00 | 2423.50 | |
| CAR DC6:0 | 25192.20 | 20023.46 | 5194.94 | 3364.00 | 5755.00 | 4347.07 | 3596.27 | 14183.50 | 6173.50 | 12130.50 | |
| Carnitine | 9287682.50 | 9669461.00 | 9775548.78 | 9465904.75 | 8996236.50 | 9914192.36 | 9192777.82 | 10349039.50 | 13250792.00 | 9018906.50 | |
| Cer 18:1;O2/14:0 | 1324.60 | 1571.04 | 2770.50 | 1728.50 | 1708.50 | 3343.86 | 2648.73 | 1560.00 | 2878.50 | 3318.00 | |
| Cer 18:1;O2/16:0 | 57532.70 | 85058.17 | 63782.39 | 58570.75 | 62843.00 | 64918.57 | 72666.27 | 76428.50 | 57078.00 | 115931.50 | |
| Cer 18:1;O2/16:1 | 3252.60 | 4458.00 | 4428.50 | 3608.75 | 2227.50 | 3833.07 | 4988.36 | 7022.50 | 4223.50 | 10031.50 | |
| Cer 18:1;O2/18:0 | 13569.90 | 24002.62 | 12461.11 | 13435.00 | 12668.50 | 13282.64 | 15527.36 | 22433.50 | 10242.00 | 31432.00 | |
| Cer 18:1;O2/18:1 | 2903.20 | 4326.00 | 2894.78 | 2584.00 | 1736.00 | 2634.57 | 3862.91 | 4768.50 | 2371.50 | 10570.50 | |
| Cer 18:1;O2/20:0 | 11906.60 | 14523.46 | 14535.67 | 14970.00 | 16107.50 | 17503.71 | 16848.64 | 13569.00 | 16482.00 | 10582.00 | |
| Cer 18:1;O2/20:1 | 2477.44 | 3108.29 | 2800.67 | 2344.50 | 2623.50 | 2563.50 | 3355.64 | 2920.00 | 2291.50 | 5188.00 | |
| Cer 18:1;O2/22:0 | 37116.10 | 38892.83 | 43537.39 | 47417.75 | 48349.00 | 54791.14 | 51684.45 | 46894.00 | 56865.00 | 27747.00 | |
| Cer 18:1;O2/24:0 | 42035.80 | 41549.96 | 42909.83 | 43138.75 | 39270.00 | 48000.64 | 47816.91 | 64583.50 | 67591.50 | 27610.00 | |
| Cer 18:1;O2/24:1 | 196530.20 | 187751.04 | 207882.56 | 177812.50 | 191043.50 | 197017.71 | 227183.27 | 226852.00 | 191051.00 | 268096.00 | |
| Cholestenone | 4187.00 | 4152.62 | 5629.72 | 5534.75 | 3575.50 | 5726.36 | 6721.27 | 4802.50 | 5846.00 | 7034.50 | |
| Choline | 1779668.00 | 2155582.79 | 1861722.72 | 1836372.25 | 2220775.50 | 2234108.57 | 1917497.91 | 4942985.50 | 1923921.50 | 2509968.00 | |
| Choline phosphate | 2198971.80 | 4975114.50 | 4091828.06 | 4341784.75 | 5641108.50 | 3851317.79 | 4104725.09 | 3669318.50 | 3666289.50 | 9609536.00 | |
| Citrulline | 61916.30 | 42504.79 | 64790.78 | 55044.00 | 49812.00 | 78403.71 | 53560.45 | 63180.00 | 65049.50 | 40538.00 | |
| Cortisol | 31926.30 | 27756.12 | 19253.28 | 15763.50 | 11701.00 | 6185.50 | 6977.09 | 419.00 | 35869.50 | 7798.00 | |
| Cortisone | 3295.20 | 2949.08 | 29791.89 | 44747.75 | 3167.00 | 58953.86 | 73065.27 | 67974.00 | 4767.50 | 47397.50 | |
| Creatine | 557008.30 | 704854.04 | 631609.50 | 559208.50 | 596527.50 | 559869.29 | 617378.09 | 526123.00 | 854890.00 | 921277.00 | |
| Creatinine | 2808845.50 | 2851097.00 | 2492485.56 | 2097076.00 | 1998660.00 | 2291803.36 | 1990247.18 | 2380809.50 | 2717441.00 | 2581880.00 | |
| Cryptoxanthin | 55903.70 | 30892.71 | 100110.78 | 46761.00 | 23398.00 | 71723.93 | 67988.91 | 111782.00 | 177170.50 | 84054.00 | |
| Cystine | 22201.70 | 23820.17 | 18271.83 | 24259.75 | 14868.00 | 25452.86 | 24955.55 | 43652.00 | 29290.00 | 19312.50 | |
| Cytosine | 1232.60 | 1402.33 | 1689.17 | 1352.50 | 1060.50 | 2201.43 | 2254.64 | 1147.00 | 3798.50 | 1133.00 | |
| D-alpha-tocopherylquinone | 1837.40 | 1986.25 | 1745.33 | 824.00 | 2873.50 | 1416.86 | 1225.73 | 4650.00 | 3466.50 | 4531.50 | |
| DG 34:1 | 30182.80 | 20045.50 | 14276.83 | 7669.00 | 7189.50 | 12375.07 | 11415.73 | 16167.00 | 25844.00 | 14064.00 | |
| DG 34:2 | 13693.30 | 8903.79 | 5469.11 | 2589.75 | 2205.50 | 5143.21 | 4222.82 | 4696.00 | 13852.50 | 9214.50 | |
| DG 36:2 | 51686.30 | 41930.21 | 45464.56 | 31813.50 | 41638.00 | 37446.71 | 51592.91 | 57082.00 | 47892.50 | 52417.50 | |
| DG 36:3 | 139734.50 | 105538.50 | 98194.72 | 63011.25 | 65157.00 | 77333.93 | 84509.82 | 119327.00 | 133172.00 | 110723.50 | |
| DG 36:4 | 218448.40 | 133585.38 | 86549.28 | 46465.25 | 36420.00 | 70268.50 | 61347.27 | 98687.50 | 162362.50 | 87314.50 | |
| DG 38:5 | 16066.30 | 14268.75 | 17711.44 | 13561.25 | 6671.50 | 17488.36 | 21524.27 | 20202.00 | 11653.50 | 20554.00 | |
| Diethanolamine | 754.50 | 413.67 | 163.17 | 134.75 | 195.00 | 156.57 | 165.27 | 204.00 | 128.50 | 151.50 | |
| Dimethylarginine | 29365008.70 | 28852312.21 | 28410020.78 | 27794754.25 | 37339722.50 | 28787200.79 | 29648118.27 | 31644969.00 | 27976712.50 | 27076521.50 | |
| Dimethylglycine | 27305.50 | 26319.46 | 29744.11 | 28998.25 | 29266.00 | 33480.14 | 33787.64 | 26164.00 | 49701.50 | 15507.00 | |
| DMGV | 1126.40 | 2584.46 | 2343.61 | 2979.75 | 2557.50 | 2413.29 | 2729.91 | 1666.00 | 2707.00 | 3348.50 | |
| D-N-Acetylgalactosamine | 22364.80 | 29494.17 | 27466.33 | 17535.50 | 23257.00 | 20059.07 | 20801.00 | 35721.50 | 31087.00 | 37406.50 | |
| Ectoine | 3148.70 | 2184.21 | 6475.11 | 4246.50 | 1308.00 | 6710.29 | 9905.64 | 2548.50 | 4049.00 | 1306.50 | |
| (E,E)-Trichostachine_a | 251.12 | 150.16 | 382.62 | 185.75 | 176.00 | 462.08 | 803.20 | 1560.00 | 5096.00 | - | |
| (E,E)-Trichostachine_b | 492.12 | 175.68 | 914.50 | 247.00 | 222.00 | 1307.85 | 2400.18 | 1746.00 | 5523.00 | - | |
| gamma-Aminobutyric acid | 1080517.90 | 1276229.42 | 1015175.56 | 923893.25 | 748037.00 | 1062803.86 | 1107960.73 | 1376152.00 | 1066365.50 | 786081.00 | |
| Glu-Ile | 956.30 | 1034.38 | 985.94 | 837.67 | 714.50 | 1494.92 | 976.36 | 3014.50 | 1691.50 | 1357.00 | |
| Glutamic acid | 22346.40 | 29802.00 | 21604.39 | 21504.00 | 28082.50 | 22264.14 | 22656.27 | 107272.50 | 16753.00 | 25207.50 | |
| Glutamine | 902818.70 | 833408.88 | 804345.72 | 722171.75 | 804203.50 | 744071.93 | 730275.36 | 743256.50 | 845816.00 | 660566.50 | |
| Gly-Arg | 1805.10 | 1756.71 | 1612.67 | 1304.00 | 2643.50 | 1476.57 | 1396.09 | 4724.50 | 1137.50 | 7724.50 | |
| glycidyl linoleate | 26323.00 | 17782.79 | 16211.11 | 10367.25 | 8939.50 | 14853.71 | 13702.45 | 21022.50 | 23249.50 | 18536.00 | |
| Glycine | 4915.90 | 6518.25 | 5027.06 | 4656.00 | 5965.00 | 4943.21 | 4535.36 | 7630.00 | 5665.00 | 4911.50 | |
| Glycocholic acid | 3104.60 | 26162.48 | 37970.67 | 51958.75 | 90696.00 | 57504.14 | 53132.82 | 100009.50 | 165359.00 | 38310.00 | |
| Glycodeoxycholic acid | 14406.10 | 30365.17 | 125226.78 | 112838.25 | 116343.00 | 139393.79 | 94426.00 | 122690.00 | 156067.00 | 38126.50 | |
| Gly-Pro | 21721.60 | 25776.12 | 33822.39 | 23049.25 | 19473.00 | 25618.07 | 28800.91 | 16529.00 | 14355.50 | 43215.50 | |
| Guanidoacetic acid | 2697.70 | 2032.71 | 2697.83 | 2696.50 | 2416.50 | 2666.29 | 2207.82 | 2382.00 | 2168.00 | 1250.50 | |
| Hippuric acid | 37208.30 | 8004.96 | 4963.06 | 3610.25 | 3906.50 | 11881.79 | 2697.36 | 836.50 | 2918.50 | 5718.00 | |
| Histamine | 783.80 | 767.67 | 808.56 | 413.00 | 434.00 | 584.86 | 245.00 | 755.00 | 684.00 | 7459.50 | |
| Histidine | 325455.70 | 244129.25 | 362969.83 | 272588.00 | 262818.00 | 353252.43 | 272482.82 | 414633.50 | 422005.50 | 300494.00 | |
| Homoarginine | 51032.90 | 21038.25 | 44369.00 | 32992.25 | 33290.00 | 40887.93 | 30110.82 | 27813.00 | 41331.50 | 13938.00 | |
| Hydroxyproline | 59384.90 | 39696.71 | 49234.39 | 42389.75 | 52154.00 | 49466.93 | 43659.18 | 38241.50 | 62713.00 | 26479.00 | |
| Hypotaurine | 1426.20 | 1541.62 | 1746.39 | 1913.00 | 2485.00 | 2512.14 | 2177.27 | 4034.50 | 1788.00 | 2379.50 | |
| Hypoxanthine | 3573265.90 | 5606876.71 | 3353811.83 | 2742450.00 | 2914771.50 | 3002240.00 | 3367314.36 | 7438908.00 | 7219035.00 | 6663059.50 | |
| Ile-Trp | 1459.40 | 2501.79 | 2129.22 | 1347.75 | 1449.00 | 1773.86 | 1634.82 | 8159.00 | 1994.00 | 11662.50 | |
| Ile-Val | 3682.80 | 5220.58 | 5108.06 | 2962.00 | 2607.00 | 3699.57 | 4523.55 | 13102.50 | 1738.00 | 16099.50 | |
| Imidazolepropionic acid | 159764.40 | 224298.54 | 225697.06 | 397124.75 | 120997.00 | 610393.14 | 408266.27 | 99440.00 | 265076.00 | 346052.50 | |
| Inosine | 4087.40 | 6466.21 | 2841.39 | 2142.75 | 1526.50 | 2841.36 | 5380.64 | 5217.00 | 15207.50 | 5516.00 | |
| Isoleucine | 52901319.40 | 63439041.62 | 71957091.61 | 53481811.25 | 52387044.00 | 70743149.14 | 66521248.18 | 74627609.00 | 87888346.00 | 57845951.00 | |
| Kynurenic acid | 3545.10 | 2196.71 | 3399.72 | 1537.50 | 1321.50 | 3295.79 | 2574.36 | 2371.00 | 5533.50 | 546.00 | |
| Lenticin | 20419.80 | 16278.35 | 31574.00 | 48839.50 | 37804.50 | 20990.86 | 19402.00 | 22321.00 | 24986.00 | 59672.00 | |
| Leucine | 112239411.90 | 112393766.29 | 146446507.67 | 112469068.25 | 99705375.50 | 145142186.21 | 131494921.73 | 137341943.00 | 177328690.00 | 120332467.00 | |
| Leu-Leu | 4538.30 | 5076.25 | 5567.89 | 3415.00 | 3772.50 | 3881.57 | 3640.64 | 15932.00 | 2779.50 | 16665.00 | |
| Leu-Phe | 1840.30 | 1974.62 | 2250.33 | 2088.50 | 1563.50 | 1365.29 | 1833.91 | 6200.00 | 2608.50 | 33079.50 | |
| Linoleoyl-EA | 15584.10 | 15422.75 | 13375.67 | 12414.00 | 9860.00 | 12353.07 | 12065.55 | 13180.50 | 19481.50 | 12059.50 | |
| LPC 14:0 | 176489.00 | 127719.29 | 447848.00 | 291683.75 | 288698.00 | 698116.00 | 435926.09 | 724700.50 | 328232.50 | 177558.50 | |
| LPC 15:0 | 154902.90 | 92891.42 | 213708.17 | 147800.75 | 180728.50 | 260812.07 | 176997.55 | 391260.50 | 150188.00 | 78392.50 | |
| LPC 16:0 | 15374321.00 | 13173802.46 | 20360902.50 | 16061335.00 | 16935515.50 | 23962513.57 | 20694309.45 | 34883862.50 | 13417863.00 | 13666803.50 | |
| LPC 16:1 | 568561.80 | 401155.21 | 658498.44 | 529455.00 | 445228.00 | 788103.00 | 751653.09 | 919076.50 | 458361.00 | 408669.50 | |
| LPC 18:1 | 2304252.60 | 1908283.62 | 2856582.83 | 2725314.25 | 3066818.00 | 3341704.57 | 3259304.27 | 5041330.50 | 2020064.00 | 1440814.50 | |
| LPC 18:2 | 3136590.40 | 2794291.38 | 5735079.00 | 5560851.50 | 5160074.50 | 7245470.43 | 6065449.09 | 8514823.00 | 5057206.00 | 2163048.50 | |
| LPC 18:3 | 1043024.00 | 891970.92 | 1412085.00 | 1070342.00 | 1138801.50 | 1715222.64 | 1433689.27 | 2505834.00 | 941786.00 | 906055.50 | |
| LPC 20:1 | 7127.80 | 7545.21 | 12047.22 | 10151.50 | 11289.00 | 9587.93 | 11130.18 | 42228.50 | 2974.00 | 3058.00 | |
| LPC 20:3_a | 34340.20 | 34184.71 | 62006.28 | 45607.00 | 51065.00 | 66598.93 | 52795.09 | 207695.00 | 37252.50 | 26305.00 | |
| LPC 20:3_b | 259205.00 | 222058.88 | 404785.44 | 338762.00 | 384919.00 | 425330.93 | 400271.00 | 669712.50 | 249407.50 | 198215.00 | |
| LPC 20:4 | 863099.10 | 716756.42 | 863029.00 | 817641.50 | 725804.00 | 939931.14 | 966871.91 | 1441898.00 | 500354.50 | 571880.00 | |
| LPC 20:5 | 212034.50 | 188904.92 | 380061.44 | 360481.00 | 331822.50 | 509171.86 | 400829.36 | 557900.00 | 324592.00 | 148522.50 | |
| LPC 22:5 | 30061.90 | 24495.04 | 30152.94 | 26656.25 | 23085.00 | 34799.64 | 31116.64 | 54107.00 | 19490.50 | 20243.00 | |
| LPC 22:6 | 100989.20 | 102217.12 | 88352.50 | 100317.75 | 80424.50 | 85634.43 | 92943.82 | 106164.50 | 49693.50 | 44535.00 | |
| LPC O-16:0 | 109721.40 | 103050.25 | 181352.67 | 131530.50 | 132797.50 | 221827.00 | 177764.82 | 360650.00 | 85062.50 | 151256.50 | |
| LPC O-18:0 | 21914.20 | 18708.42 | 27233.22 | 19958.50 | 20199.50 | 36309.36 | 26919.73 | 65711.00 | 13354.50 | 50389.00 | |
| LPC P-16:0 or LPC O-16:1 | 37076.50 | 29494.12 | 53397.00 | 43476.25 | 50784.50 | 68548.36 | 59979.91 | 148783.00 | 25871.50 | 20647.50 | |
| LPC(P-18:0)/LPC(O-18:1)_B | 8330.60 | 6966.08 | 13999.39 | 10989.00 | 12451.00 | 20507.00 | 17618.18 | 31860.50 | 6480.50 | 6463.00 | |
| LPC P-18:0 or LPC O-18:1 | 90882.30 | 101170.08 | 122808.39 | 117362.50 | 129301.50 | 122693.71 | 131406.45 | 246015.50 | 55010.50 | 124617.00 | |
| LPE 16:0 | 174592.90 | 143363.42 | 174609.56 | 136896.75 | 139994.50 | 227171.43 | 186838.18 | 216209.00 | 138087.00 | 119065.00 | |
| LPE 16:1 | 5839.22 | 4584.79 | 5500.76 | 3698.50 | 1155.50 | 15579.64 | 17003.00 | 7057.00 | 5169.00 | 2904.00 | |
| LPE 17:0 | 2890.60 | 2187.35 | 3817.61 | 2525.50 | 3241.00 | 4608.07 | 4139.64 | 5285.50 | 2879.50 | 1524.50 | |
| LPE 18:0 | 241811.90 | 217874.54 | 259295.33 | 193673.25 | 189121.00 | 309208.93 | 271184.18 | 412422.50 | 220456.00 | 214294.00 | |
| LPE 18:1 | 206890.10 | 192014.50 | 266760.06 | 262033.00 | 261618.00 | 323577.93 | 343342.27 | 320340.00 | 213763.00 | 121387.50 | |
| LPE 18:2 | 303459.30 | 302383.79 | 502810.00 | 479015.25 | 551453.00 | 723693.57 | 612482.45 | 682883.00 | 613449.00 | 215675.00 | |
| LPE 18:3 | 19476.90 | 17777.25 | 27283.11 | 23583.75 | 14657.50 | 41736.07 | 34747.00 | 30766.00 | 18057.00 | 13482.00 | |
| LPE 20:0 | 204843.40 | 126584.04 | 257147.89 | 189703.75 | 237028.50 | 287384.57 | 226923.18 | 491242.50 | 189354.50 | 113739.00 | |
| LPE 20:1 | 34068.00 | 19397.58 | 39399.33 | 31760.25 | 30179.00 | 49164.43 | 43313.55 | 62480.00 | 31285.00 | 16006.00 | |
| LPE 20:3 | 30038.90 | 23250.92 | 34184.56 | 27471.25 | 26085.00 | 47984.79 | 45231.64 | 50037.50 | 38681.00 | 27006.00 | |
| LPE 20:4 | 320066.10 | 292885.50 | 248871.50 | 249068.25 | 251014.50 | 282041.00 | 306589.27 | 411265.50 | 283461.50 | 255083.00 | |
| LPE 22:6 | 169467.10 | 197555.12 | 99818.72 | 135166.75 | 109503.00 | 100017.36 | 128202.09 | 134074.50 | 103927.00 | 96181.00 | |
| LPE P-18:0 or LPE O-18:1 | 31168.30 | 35264.71 | 44555.17 | 39288.00 | 46560.50 | 61405.00 | 64903.55 | 163873.50 | 25046.00 | 73658.00 | |
| Lys-Gly | 41.88 | 66.87 | 43.20 | 50.50 | 44.00 | 52.64 | 46.91 | 501.50 | 35.00 | 1344.00 | |
| Lysine | 472214.80 | 432765.62 | 533548.00 | 385539.75 | 333133.50 | 586948.21 | 479471.55 | 655963.00 | 587997.00 | 411372.50 | |
| Mesalamine | 7.40 | 6.00 | 28342.62 | 1741.75 | 204.00 | 3255.00 | 4938.10 | 27.00 | 77899.00 | 60.00 | |
| Methionine | 42882.10 | 57529.17 | 56028.39 | 33767.75 | 44060.00 | 64151.29 | 51988.18 | 75649.50 | 75459.00 | 58251.50 | |
| Methionine sulfoxide | 2820.40 | 8088.04 | 5930.56 | 5072.00 | 5680.50 | 6808.21 | 6277.55 | 7828.00 | 6437.00 | 4958.00 | |
| Methylguanidine | 234442.50 | 246119.33 | 229678.67 | 145426.50 | 131303.50 | 206424.14 | 165620.82 | 220002.00 | 201891.50 | 198327.00 | |
| Methylimidazoleacetic acid | 5525.30 | 2733.75 | 4898.33 | 3342.75 | 1935.50 | 6299.71 | 6218.09 | 2046.00 | 4821.00 | 1537.00 | |
| Metronidazole | 1464.80 | 1614234.25 | 1750.61 | 1254.25 | 1273.00 | 1137086.79 | 1745.18 | 776.00 | 795.50 | 4375.00 | |
| Monoethylglycinexylidide | 218772.33 | 151546.53 | 60.50 | 7.50 | 5403.00 | 95.25 | 17.29 | - | 24244.00 | - | |
| myristoleate | 1526.90 | 1347.33 | 1668.50 | 1149.00 | 1322.50 | 1409.86 | 1160.82 | 2020.00 | 2749.50 | 2174.50 | |
| N1-Acetylspermidine | 67209.70 | 115786.46 | 40172.22 | 44409.50 | 78932.00 | 52767.00 | 53877.91 | 232581.00 | 45900.50 | 73801.50 | |
| N1-Methyl-2-pyridone-5-carboxamide | 47631.30 | 36018.58 | 56941.72 | 29508.75 | 17169.00 | 55826.43 | 44573.82 | 25114.00 | 70472.50 | 20824.50 | |
| N1,N12-Diacetylspermine | 11380.20 | 75461.50 | 9293.33 | 28120.25 | 38179.00 | 17452.86 | 34630.91 | 55861.50 | 2157.00 | 66744.50 | |
| N2,N2-Dimethylguanosine | 21716.30 | 24409.62 | 14923.50 | 13522.25 | 16737.50 | 15480.36 | 15408.73 | 19546.50 | 17764.50 | 16785.00 | |
| N4-Acetylcytidine | 21393.20 | 27331.46 | 14692.28 | 9219.00 | 10317.00 | 11011.07 | 13064.73 | 18627.00 | 11156.50 | 17370.00 | |
| N6-Acetyllysine | 4305.00 | 4031.12 | 4783.11 | 3667.50 | 3406.00 | 4771.43 | 4068.91 | 3724.00 | 4595.00 | 6165.50 | |
| N(6)-Methyllysine | 69097.80 | 54793.21 | 45950.83 | 65542.25 | 165740.50 | 64621.57 | 53736.73 | 41078.50 | 37552.50 | 50053.50 | |
| N(6),N(6)-Dimethyl-lysine | 23279.00 | 21107.38 | 19318.50 | 20625.50 | 30894.50 | 23767.00 | 22572.27 | 21842.00 | 16592.50 | 20723.00 | |
| N-6-Trimethyllysine | 71374.40 | 74579.79 | 94300.83 | 63836.75 | 63834.00 | 102091.14 | 99165.09 | 109750.50 | 73494.50 | 92983.50 | |
| N-acetyl-5-Aminosalicylic acid | 5653.20 | 3408.12 | 599924.28 | 657015.50 | 239667.50 | 560397.57 | 483218.09 | 81794.50 | 560090.00 | 1565.50 | |
| N-Acetylarginine | 1905.60 | 1375.04 | 2472.44 | 1994.50 | 2337.50 | 2278.64 | 1985.55 | 2045.00 | 2168.50 | 1073.00 | |
| N-Acetylaspartic acid | 568.30 | 493.21 | 429.17 | 421.75 | 585.50 | 530.57 | 503.27 | 533.00 | 646.00 | 420.00 | |
| N-Acetyl-D-galactosamine | 7911.60 | 10654.46 | 9081.17 | 8316.75 | 9140.00 | 7394.86 | 7858.18 | 9607.00 | 14600.00 | 9287.00 | |
| N-Acetyl-D-tryptophan | 281532.00 | 214307.29 | 627616.78 | 627073.50 | 283062.50 | 672926.21 | 628256.82 | 305332.00 | 490170.50 | 194949.00 | |
| N-Acetylglutamic acid | 588.40 | 694.54 | 902.56 | 669.25 | 1074.50 | 916.07 | 851.00 | 2216.00 | 1252.50 | 729.50 | |
| N-Acetylhistidine | 14446.60 | 9590.88 | 15304.33 | 11874.50 | 10658.50 | 18469.14 | 11596.91 | 16202.00 | 14732.00 | 8563.50 | |
| N-Acetylisoputreanine | 41699.30 | 52545.38 | 39287.06 | 33119.50 | 61325.50 | 23782.79 | 30271.36 | 41597.00 | 30117.50 | 128164.50 | |
| N-Acetylleucine | 43.80 | 12.91 | 19.76 | 10.00 | 10.00 | 15.00 | 21.60 | 30.50 | 14.50 | 20.00 | |
| N-Acetylornithine | 10076.70 | 4021.17 | 8436.11 | 6292.25 | 4830.00 | 8460.21 | 6682.55 | 7281.50 | 10630.50 | 3190.00 | |
| N-Acetylputrescine | 5072.20 | 5073.29 | 3822.94 | 4126.25 | 4575.00 | 4740.21 | 3751.36 | 3726.00 | 3606.50 | 3993.00 | |
| Niacinamide | 76732.60 | 82733.50 | 203680.72 | 38573.75 | 41884.50 | 53368.21 | 46476.73 | 96590.50 | 70986.50 | 594500.50 | |
| Nicotinic acid | 6709.90 | 3453.88 | 4839.06 | 1865.50 | 1128.50 | 1780.00 | 8815.91 | 601.50 | 3435.50 | 811.50 | |
| N-Lauroylglycine | 5033.40 | 4781.33 | 4439.78 | 3746.25 | 3254.00 | 4240.50 | 4554.82 | 4601.50 | 5067.00 | 4188.00 | |
| N-methylhistamine | 556480.30 | 718411.00 | 408224.67 | 464796.75 | 447716.00 | 482490.79 | 582624.18 | 495605.00 | 517869.50 | 403888.00 | |
| N-Methyl-proline | 32008.80 | 42864.58 | 80230.72 | 47735.50 | 125611.00 | 46606.79 | 313723.09 | 60184.50 | 73790.00 | 4532.00 | |
| O-ethyl-homoserine | 5555.50 | 4416.33 | 5258.67 | 5740.25 | 5535.00 | 5668.14 | 5282.91 | 5970.00 | 7069.50 | 5608.50 | |
| Oleoyl-EA | 27393.10 | 28310.71 | 25331.11 | 22986.25 | 20771.50 | 24032.14 | 22822.18 | 29792.50 | 39542.50 | 21695.50 | |
| Ornithine | 114763.00 | 105342.08 | 155271.50 | 155687.00 | 123240.00 | 182064.00 | 128208.64 | 235059.00 | 146583.50 | 118710.50 | |
| p-Acetamidophenylglucuronide | 549097.00 | 146382.11 | 4922.88 | 641.00 | 2424.00 | 5137.33 | 11336.40 | - | - | 347401.00 | |
| Palmitoyl-EA | 29348.90 | 44154.92 | 19445.00 | 15649.00 | 17867.50 | 45676.86 | 37251.45 | 44979.50 | 63134.50 | 10195.00 | |
| Pantothenic acid | 148710.00 | 184403.42 | 174720.83 | 164740.25 | 107246.50 | 132695.29 | 155557.91 | 349925.00 | 154290.00 | 269349.00 | |
| PC 30:0 | 132759.60 | 103858.00 | 269680.72 | 232677.50 | 173320.50 | 494343.64 | 393774.45 | 241275.50 | 302586.50 | 307447.50 | |
| PC 32:0 | 978667.10 | 1095430.25 | 1089019.22 | 1079553.25 | 1024755.50 | 1152338.43 | 1289333.73 | 1188767.00 | 1043954.00 | 2051051.00 | |
| PC 32:2 | 215131.00 | 161439.33 | 405442.39 | 338664.25 | 253087.00 | 589693.07 | 424036.00 | 424607.50 | 637860.00 | 342189.00 | |
| PC 34:2 | 1459.14 | 1403.67 | 6906.77 | 8448.00 | - | 8850.82 | 5127.20 | 4265.50 | 1923.00 | 2516.00 | |
| PC 34:3 | 903927.40 | 792329.67 | 1054046.44 | 917797.25 | 728158.50 | 1342486.93 | 1191001.82 | 1057089.00 | 1210759.50 | 1166693.00 | |
| PC 34:4 | 95615.60 | 81315.00 | 111812.06 | 96493.25 | 74155.00 | 156492.57 | 140545.73 | 117065.50 | 134412.00 | 130205.50 | |
| PC 36:2 | 142976764.90 | 153105881.96 | 185507471.28 | 186558883.75 | 182626531.50 | 180604851.21 | 174989560.82 | 201452736.50 | 225211501.00 | 177232468.00 | |
| PC O-18:0 (C16-PAF) | 2477778.20 | 2256289.46 | 3813854.39 | 3093916.00 | 3271100.00 | 3965884.00 | 3331504.55 | 7820607.50 | 2661064.50 | 2088931.50 | |
| PC O-32:0 | 164560.90 | 148508.42 | 193704.89 | 180841.25 | 141719.50 | 215952.29 | 208942.18 | 200814.50 | 201397.50 | 237433.00 | |
| PC P-32:0 or PC O-32:1 | 111219.20 | 87875.79 | 123718.33 | 112695.00 | 95492.00 | 133207.29 | 121946.82 | 117216.50 | 113209.00 | 115871.50 | |
| PC P-34:0 or PC O-34:1 | 303456.20 | 290730.00 | 299996.56 | 333452.25 | 309590.00 | 282059.93 | 319278.09 | 287948.50 | 260508.50 | 355254.00 | |
| PC P-34:1 or PC O-34:2 | 344697.10 | 290889.79 | 506754.89 | 451294.25 | 402641.00 | 626002.14 | 582390.27 | 642971.50 | 424470.50 | 374625.50 | |
| PC P-34:2 or PC O-34:3 | 386557.60 | 331224.04 | 506302.17 | 442473.00 | 516604.50 | 658159.14 | 623236.36 | 637940.50 | 456249.50 | 352141.50 | |
| PC P-36:4 or PC O-36:5 | 708209.30 | 616566.92 | 919048.11 | 853559.25 | 962651.00 | 1147087.50 | 1174315.09 | 1338664.50 | 768808.00 | 885374.50 | |
| PC P-38:5 or PC O-38:6 | 224029.30 | 182676.96 | 274711.39 | 267825.75 | 237354.50 | 324062.14 | 343184.45 | 342891.50 | 202601.00 | 234543.00 | |
| PC P-38:6 or PC O-38:7 | 61037.30 | 48553.54 | 73815.11 | 87488.75 | 75145.00 | 85750.57 | 97593.64 | 97122.00 | 50122.00 | 53498.00 | |
| PE 34:0 | 44849.00 | 33360.46 | 63099.06 | 59167.75 | 60537.00 | 94109.57 | 77253.27 | 53595.50 | 82826.00 | 62741.50 | |
| PE 34:2 | 212101.80 | 226173.12 | 261780.56 | 176247.50 | 202662.50 | 325105.86 | 273099.09 | 310920.00 | 403538.50 | 584433.50 | |
| PE 36:2 | 350917.00 | 373086.75 | 475590.89 | 408902.00 | 407845.00 | 514317.71 | 459234.27 | 496713.50 | 692777.00 | 562228.00 | |
| PE 36:4 | 233526.40 | 252780.96 | 255480.00 | 189099.00 | 203171.50 | 240454.43 | 246744.91 | 296195.50 | 242218.50 | 689370.50 | |
| PE 38:4 | 525494.30 | 506911.08 | 374648.50 | 311641.00 | 308424.00 | 342802.79 | 385463.09 | 447566.50 | 511869.00 | 752908.00 | |
| PE 38:6 | 224204.10 | 233331.88 | 157946.72 | 158113.25 | 115906.00 | 124825.71 | 148774.55 | 130445.50 | 161157.00 | 240404.00 | |
| PE 40:6 | 58724.10 | 62126.92 | 35273.00 | 35417.00 | 26676.50 | 27890.36 | 31972.73 | 27172.50 | 47523.00 | 50386.00 | |
| PE P-34:1 or PE O-34:2 | 42338.40 | 43554.25 | 61644.61 | 53304.50 | 68474.00 | 74515.07 | 76399.55 | 89907.00 | 49606.00 | 128538.50 | |
| PE P-34:2 or PE O-34:3 | 67199.80 | 52926.83 | 151725.56 | 140170.00 | 163230.00 | 217037.93 | 204475.18 | 240228.00 | 152291.00 | 70153.50 | |
| PE P-36:2 or PE O-36:3 | 115467.30 | 95655.67 | 198116.50 | 202723.50 | 217789.50 | 268051.07 | 245768.27 | 325070.00 | 199135.50 | 124767.00 | |
| PE P-36:4 or PE O-36:5 | 222734.20 | 216364.21 | 435134.33 | 389963.25 | 364346.00 | 464217.71 | 554767.27 | 517289.00 | 354644.00 | 499391.50 | |
| PE P-38:4 or PE O-38:5 | 439454.50 | 412958.67 | 689169.33 | 594209.00 | 603674.50 | 738278.86 | 789433.45 | 934350.00 | 587463.00 | 1131018.50 | |
| PE P-38:5 or PE O-38:6 | 339092.70 | 275586.83 | 542070.11 | 482012.00 | 424921.00 | 629326.14 | 630366.82 | 675792.00 | 451476.50 | 569632.00 | |
| PE P-38:6 or PE O-38:7 | 183776.00 | 147085.75 | 208214.89 | 220590.50 | 184017.50 | 220911.93 | 217852.55 | 204739.50 | 171253.00 | 162269.00 | |
| PE P-40:6 or PE O-40:7 | 166531.30 | 136765.25 | 195048.94 | 202872.25 | 176097.50 | 181132.07 | 190406.73 | 211637.00 | 167360.50 | 240117.00 | |
| Phe-Ile | 18975.80 | 14130.21 | 13869.44 | 8499.25 | 9139.50 | 12081.86 | 9884.64 | 118176.00 | 5513.50 | 35206.50 | |
| Phenylalanine | 87174511.80 | 104344632.12 | 129279978.83 | 110975632.75 | 95562857.00 | 129039144.29 | 123707744.55 | 136638317.00 | 117085834.50 | 120676171.50 | |
| Phenylalanine-d8 [iSTD] | 190316.90 | 199272.42 | 198397.33 | 200980.25 | 207600.50 | 194271.79 | 210168.36 | 183799.50 | 190943.00 | 195372.00 | |
| Phe-Phe | 70392.30 | 37339.29 | 21111.00 | 12344.00 | 7023.00 | 27284.21 | 12740.73 | 639323.50 | 37385.50 | 106080.00 | |
| Phe-Trp | 11806.50 | 8340.17 | 6161.78 | 4816.50 | 6047.50 | 7099.21 | 7180.55 | 89388.50 | 7517.50 | 5978.00 | |
| Pipecolic acid | 10495.10 | 14791.25 | 14679.06 | 14148.50 | 8370.00 | 22596.93 | 13250.91 | 11727.00 | 22692.50 | 6713.50 | |
| Piperine | 253127.60 | 64581.29 | 326293.50 | 254691.50 | 206432.00 | 556849.93 | 847143.27 | 253986.50 | 617617.00 | 58814.00 | |
| Pro-Ala/Ala-Pro | 690.33 | 1215.27 | 1345.39 | 544.25 | 579.50 | 742.57 | 1405.10 | 8103.00 | 374.50 | 2648.00 | |
| Pro-Gly | 301.50 | 488.42 | 663.44 | 390.50 | 411.00 | 520.93 | 578.45 | 1170.00 | 803.50 | 419.00 | |
| Proline | 1084317.10 | 1252865.42 | 1662107.00 | 1560853.75 | 1702465.50 | 1847565.57 | 1634038.91 | 1410250.00 | 1718946.00 | 1006297.00 | |
| Proline betaine | 1078749.90 | 1088990.21 | 1539811.67 | 1209528.50 | 1470434.50 | 803918.57 | 2560239.64 | 1974387.50 | 967905.00 | 70520.00 | |
| Pseudouridine | 334193.30 | 331448.75 | 272615.72 | 227938.50 | 242358.00 | 242876.21 | 241594.82 | 296001.50 | 297897.50 | 294593.00 | |
| PS P-36:1 or PS O-36:2 | 20154.30 | 22267.17 | 27713.33 | 28364.00 | 22840.50 | 38348.00 | 30353.64 | 37618.00 | 26615.50 | 49943.50 | |
| Retinol | 3427.60 | 4381.54 | 10100.50 | 4878.50 | 4451.00 | 11771.21 | 10820.45 | 10500.00 | 6002.50 | 4255.00 | |
| Ribothymidine | 670835.70 | 606267.75 | 889479.56 | 738033.00 | 969737.00 | 790795.50 | 791183.91 | 517625.50 | 870638.00 | 329072.00 | |
| Serine | 4625.50 | 5009.67 | 4594.56 | 4275.00 | 4514.00 | 4712.50 | 4085.82 | 9389.50 | 4970.50 | 3174.00 | |
| Serotonin | 784.33 | 734.26 | 216.81 | 276.75 | 322.00 | 641.92 | 1418.70 | 2300.00 | 231.50 | 2599.50 | |
| SM 18:1;O2/14:0 | 121996.60 | 90365.58 | 188489.94 | 142017.00 | 123154.00 | 225988.50 | 175007.55 | 157012.00 | 166617.00 | 181728.00 | |
| SM 18:1;O2/16:0 | 2337971.10 | 2402121.67 | 2755754.56 | 2757143.75 | 2344538.50 | 2947200.07 | 3055668.73 | 3396900.00 | 2357727.50 | 4079516.00 | |
| SM 18:1;O2/16:1 | 184232.90 | 188602.75 | 262076.22 | 267463.25 | 172946.50 | 271573.86 | 303968.09 | 306620.50 | 226171.00 | 381537.00 | |
| SM 18:1;O2/18:0 | 841445.00 | 1100577.00 | 890602.50 | 924963.50 | 641921.50 | 919482.64 | 979160.91 | 1046428.50 | 722635.50 | 1246781.00 | |
| SM 18:1;O2/18:1 | 404725.20 | 506408.08 | 481032.56 | 509131.00 | 300760.00 | 467798.64 | 561178.91 | 589954.50 | 385819.50 | 786561.00 | |
| SM 18:1;O2/18:3 | 2251400.00 | 2250191.46 | 2308857.56 | 2235665.75 | 2323324.00 | 2427830.79 | 2424934.00 | 2756950.00 | 2226931.50 | 3089703.50 | |
| SM 18:1;O2/20:0 | 549041.30 | 472405.29 | 637905.83 | 616439.50 | 454425.50 | 697562.86 | 661707.45 | 538468.00 | 698700.00 | 549827.00 | |
| SM 18:1;O2/22:0 | 614496.80 | 585135.46 | 697618.22 | 817134.75 | 572488.00 | 814466.14 | 848595.36 | 601676.00 | 639039.00 | 550447.50 | |
| S-Methylcysteine S-oxide | 123.40 | 250.29 | 133.28 | 103.25 | 83.00 | 133.79 | 101.91 | 13371.00 | 205.50 | 123.00 | |
| sn-Glycero-3-phosphocholine | 441640.60 | 666731.58 | 669062.94 | 573604.00 | 635671.50 | 731381.71 | 620709.18 | 2423234.00 | 181600.00 | 946260.00 | |
| Solanidine | 4999.88 | 3855.17 | 7003.60 | 2182.00 | 37706.00 | 15199.75 | 5652.33 | 1962.00 | 10197.50 | 4926.50 | |
| Sphinganine | 4095.70 | 7059.67 | 7026.22 | 3324.00 | 6513.50 | 4716.29 | 6951.55 | 9250.50 | 5471.00 | 11509.50 | |
| Stearamide | 5202.70 | 3973.38 | 4774.28 | 2746.50 | 2273.00 | 8737.86 | 3388.27 | 7088.00 | 7886.50 | 7747.50 | |
| Symmetric dimethyl-arginine | 24091633.50 | 21116908.42 | 20110183.78 | 17349045.50 | 21974461.50 | 18756916.93 | 18116598.00 | 20467310.00 | 23144346.50 | 20230547.00 | |
| Targinine | 34577.70 | 28250.54 | 33761.22 | 29781.75 | 33718.50 | 36827.29 | 32285.91 | 42413.00 | 35399.00 | 29389.00 | |
| Taurine | 576965.00 | 846475.75 | 656574.17 | 623138.50 | 510836.50 | 692564.14 | 792120.00 | 1088705.00 | 714863.00 | 1423844.00 | |
| Tetradecylamine | 53177.30 | 5227.54 | 17100.94 | 783.50 | 2740.00 | 26800.64 | 2569.73 | 169773.00 | 17013.00 | 73730.50 | |
| Theobromine | 26581.80 | 31918.38 | 122832.89 | 137543.25 | 110728.00 | 125221.93 | 152939.36 | 190852.00 | 48986.50 | 78223.00 | |
| Thiamine | 872.20 | 658.22 | 2087.89 | 456.50 | 1047.00 | 2150.07 | 1011.82 | 2528.50 | 1882.00 | 2087.50 | |
| Threonine | 30243.60 | 36788.17 | 38674.72 | 34751.00 | 29412.50 | 39515.36 | 31855.36 | 53296.00 | 43923.50 | 22600.50 | |
| threosphingosine | 16339.20 | 28519.83 | 21845.00 | 11994.50 | 24032.50 | 15469.79 | 32478.55 | 28463.00 | 18824.50 | 28885.00 | |
| tridecylamine | 1117.30 | 876.46 | 1171.17 | 677.25 | 596.50 | 1361.50 | 741.27 | 2421.00 | 1435.00 | 1572.50 | |
| Triethanolamine | 1927.00 | 995.12 | 1076.11 | 735.50 | 728.00 | 794.86 | 733.64 | 953.00 | 924.50 | 1126.50 | |
| Trigonelline | 33847.20 | 13520.88 | 43193.50 | 34147.25 | 26469.00 | 44693.21 | 45421.91 | 47412.00 | 13310.00 | 3241.00 | |
| Trimethylamine N-oxide | 35730090.80 | 13396076.71 | 30221341.50 | 23749048.25 | 36643283.00 | 28530167.57 | 42519143.36 | 1848780.50 | 40099634.00 | 21794955.00 | |
| Tryptophan | 66878170.80 | 49737877.04 | 106380614.83 | 84325656.00 | 73465564.50 | 104596947.57 | 95588387.18 | 95027445.00 | 125418315.50 | 47121078.50 | |
| Tyrosine | 25623416.40 | 26113714.29 | 44025368.72 | 35432237.50 | 33880359.50 | 44833158.86 | 43437466.27 | 41078329.00 | 44423178.50 | 26853979.00 | |
| Ureidopropionic acid | 210443.20 | 302814.58 | 241674.00 | 310162.25 | 265076.50 | 213953.21 | 231772.36 | 200942.00 | 271481.00 | 146185.50 | |
| Uric acid | 1666967.00 | 1413967.79 | 1414843.56 | 984339.50 | 974547.50 | 1184197.36 | 1145007.64 | 1295330.50 | 1992401.50 | 1131560.50 | |
| Urocanic acid | 11646.40 | 8567.17 | 10779.78 | 4411.75 | 3815.50 | 8356.14 | 8307.18 | 14202.50 | 22804.00 | 39186.50 | |
| Val-Arg/Val-Arg | 6383.20 | 4478.48 | 1088.73 | 1334.75 | 608.00 | 2984.15 | 1050.67 | 66157.50 | 2155.00 | 9991.50 | |
| Valine | 59398096.50 | 58319851.38 | 79384061.28 | 63745706.00 | 49436800.50 | 86012562.21 | 78719037.27 | 84557600.50 | 104860684.50 | 62616722.00 | |
| Valine-d8 [iSTD] | 41193.30 | 41053.67 | 40800.67 | 42805.25 | 43388.00 | 41842.43 | 43441.45 | 39666.00 | 41340.50 | 41625.00 | |
| Xanthine | 35427.40 | 52910.79 | 33591.67 | 39082.00 | 44227.50 | 29636.71 | 32818.64 | 53071.00 | 33972.00 | 32514.00 |
Factors:
| F1 | collectionWeek:0 | PUCAI_C3_WKall:mild |
| F2 | collectionWeek:0 | PUCAI_C3_WKall:moderate/severe |
| F3 | collectionWeek:12 | PUCAI_C3_WKall:inactive |
| F4 | collectionWeek:12 | PUCAI_C3_WKall:mild |
| F5 | collectionWeek:12 | PUCAI_C3_WKall:moderate/severe |
| F6 | collectionWeek:4 | PUCAI_C3_WKall:inactive |
| F7 | collectionWeek:4 | PUCAI_C3_WKall:mild |
| F8 | collectionWeek:4 | PUCAI_C3_WKall:moderate/severe |
| F9 | collectionWeek:52 | PUCAI_C3_WKall:inactive |
| F10 | collectionWeek:52 | PUCAI_C3_WKall:moderate/severe |
