Data for ST000419
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,5-anhydroglucitol | 18306.50 | 5013.67 | 1642.86 | 2157.89 | 30725.00 | 4261.00 | 2164.43 | 2197.56 | 32869.50 | 5213.44 | 2460.00 | 2470.75 | |
| 1-kestose | 61.50 | 4134.67 | 66.14 | 64.89 | 66.50 | 12067.12 | 13967.43 | 15972.89 | 56.00 | 143.78 | 71.62 | 80.25 | |
| 1-monopalmitin | 536.50 | 1063.33 | 797.71 | 922.33 | 712.50 | 1882.12 | 1616.71 | 1299.78 | 700.50 | 592.22 | 604.12 | 628.25 | |
| 1-monostearin | 647.50 | 1509.33 | 1272.86 | 1589.78 | 565.00 | 1297.00 | 1453.00 | 1589.00 | 767.50 | 845.78 | 929.38 | 814.62 | |
| 21683 glycerol-1-phosphate byproduct | 695.50 | 3119.67 | 4257.57 | 4787.22 | 761.50 | 1147.25 | 1185.14 | 1457.67 | 931.50 | 1318.00 | 1321.00 | 1291.62 | |
| 2,3-dihydroxybutanoic acid | 78.50 | 307.67 | 246.86 | 263.22 | 154.00 | 100.50 | 67.86 | 75.11 | 157.50 | 78.56 | 79.38 | 114.75 | |
| 2,5-dihydroxypyrazine | 91.50 | 7912.44 | 231.57 | 247.00 | 131.50 | 28315.50 | 39456.14 | 43074.67 | 99.50 | 5810.22 | 10660.12 | 9355.75 | |
| 2-deoxytetronic acid | 1097.00 | 5105.78 | 2669.57 | 3112.00 | 1421.00 | 1156.25 | 978.86 | 698.11 | 1339.50 | 1239.56 | 634.50 | 938.25 | |
| 2-hydroxybutanoic acid | 19877.50 | 15227.33 | 9261.86 | 10253.33 | 13285.00 | 7113.00 | 7184.86 | 6415.78 | 14227.50 | 8404.78 | 7124.88 | 7660.12 | |
| 2-hydroxyglutaric acid | 112.50 | 905.44 | 1335.00 | 860.67 | 216.50 | 809.00 | 760.00 | 743.56 | 152.50 | 456.00 | 555.00 | 571.00 | |
| 2-hydroxyvaleric acid | 3563.00 | 1508.78 | 1237.71 | 2776.11 | 2063.50 | 2014.38 | 3681.57 | 1478.67 | 2315.50 | 2155.22 | 1207.38 | 1295.75 | |
| 2-monoolein | 452.50 | 4195.56 | 2468.00 | 4651.89 | 236.50 | 22268.62 | 14358.00 | 12638.67 | 342.00 | 1092.00 | 643.38 | 546.75 | |
| 2-monopalmitin | 5628.00 | 3358.11 | 1742.14 | 2530.89 | 4812.00 | 1765.50 | 5138.71 | 4137.44 | 5584.00 | 4940.00 | 5044.50 | 5228.00 | |
| 3,6-anhydro-D-galactose | 300.50 | 1292.78 | 465.57 | 368.78 | 153.50 | 790.25 | 791.43 | 1020.56 | 150.00 | 213.67 | 173.88 | 185.38 | |
| 3-hydroxybutyric acid | 3359.50 | 2007.00 | 2102.71 | 1834.44 | 2537.50 | 11383.25 | 9158.14 | 19204.00 | 2181.50 | 2802.22 | 4009.88 | 8015.88 | |
| 3-phosphoglycerate | 85.00 | 12659.78 | 25631.57 | 19302.56 | 68.00 | 1523.38 | 416.71 | 754.67 | 118.50 | 1598.67 | 1356.50 | 1457.12 | |
| 41682 acc mass = ketodeoxyhexonate | 267.50 | 163.89 | 160.57 | 159.89 | 104.00 | 367.25 | 357.14 | 317.00 | 245.50 | 121.56 | 138.25 | 131.75 | |
| 4-aminobutyric acid | 76.00 | 661.44 | 625.71 | 594.22 | 63.00 | 507.25 | 279.57 | 325.78 | 79.00 | 136.11 | 191.62 | 141.75 | |
| 4-hydroxybutyric acid | 136.50 | 288.67 | 221.00 | 211.56 | 98.50 | 590.62 | 289.71 | 296.44 | 135.50 | 156.11 | 199.38 | 171.12 | |
| 4-hydroxyhippuric acid | 60.00 | 226.00 | 322.43 | 460.56 | 62.50 | 146.62 | 129.00 | 139.44 | 80.00 | 81.67 | 69.50 | 71.25 | |
| 5^-deoxy-5^-methylthioadenosine | 67.00 | 423.33 | 380.00 | 399.22 | 62.50 | 458.00 | 567.43 | 649.44 | 74.00 | 257.67 | 421.75 | 353.00 | |
| 5-hydroxy-3-indoleacetic acid | 54.50 | 80.44 | 149.00 | 141.89 | 93.00 | 128.12 | 118.57 | 113.67 | 74.00 | 520.33 | 535.62 | 559.12 | |
| 5-methoxytryptamine | 65.50 | 305.44 | 306.14 | 321.67 | 85.50 | 431.00 | 435.00 | 476.11 | 93.50 | 683.11 | 403.50 | 844.25 | |
| 97455 maybe EPA | 7892.50 | 882.67 | 636.57 | 780.44 | 14312.50 | 1495.38 | 2272.14 | 2832.67 | 10780.50 | 441.22 | 481.25 | 379.00 | |
| aconitic acid | 118.50 | 329.56 | 348.71 | 485.11 | 234.00 | 124.88 | 79.86 | 105.22 | 152.50 | 195.78 | 98.00 | 114.50 | |
| adenine | 2688.50 | 1297.44 | 1043.43 | 1226.11 | 4676.50 | 1777.12 | 1904.00 | 2397.67 | 5072.50 | 885.33 | 1084.25 | 980.25 | |
| adenosine | 72.50 | 1077.33 | 752.43 | 1127.67 | 75.00 | 1737.62 | 2109.00 | 1951.22 | 88.50 | 511.78 | 1210.50 | 1161.50 | |
| adenosine-5-monophosphate | 50.50 | 3753.00 | 1131.14 | 1711.89 | 79.50 | 10892.88 | 17929.57 | 13791.33 | 83.50 | 1139.00 | 2331.12 | 2849.25 | |
| adipic acid | 280.00 | 372.56 | 487.00 | 406.56 | 376.00 | 429.75 | 368.71 | 433.89 | 277.50 | 291.89 | 355.62 | 344.62 | |
| alanine | 118614.50 | 403727.22 | 299332.00 | 335680.44 | 196901.00 | 611126.88 | 583196.00 | 585404.44 | 187148.00 | 136421.33 | 181113.00 | 153044.38 | |
| alanine-alanine | 385.00 | 3431.11 | 3401.00 | 2352.44 | 442.50 | 4250.50 | 3977.14 | 5746.00 | 225.00 | 714.78 | 696.62 | 666.88 | |
| allantoic acid dehydrated | 182.00 | 1335.78 | 1774.71 | 2491.00 | 201.00 | 3447.00 | 4734.71 | 5241.00 | 297.50 | 300.44 | 270.00 | 476.50 | |
| aminomalonate | 2789.50 | 11874.78 | 11768.43 | 14155.00 | 4027.50 | 7085.62 | 5449.71 | 5208.44 | 3680.00 | 8431.11 | 11047.50 | 11283.12 | |
| arachidic acid | 1499.50 | 2929.44 | 2818.00 | 3015.89 | 3696.00 | 2661.38 | 3415.29 | 3602.89 | 4195.50 | 2705.67 | 2488.12 | 2447.88 | |
| arachidonic acid | 1369.50 | 17352.89 | 12545.14 | 13979.44 | 2229.00 | 18887.88 | 22112.86 | 26077.89 | 2563.50 | 5391.56 | 7523.38 | 6463.62 | |
| ascorbic acid | 344.00 | 539.22 | 1050.14 | 523.00 | 506.50 | 1843.88 | 2151.57 | 1979.11 | 540.00 | 308.89 | 359.12 | 573.75 | |
| asparagine | 3878.00 | 16658.33 | 16824.14 | 17724.44 | 7259.50 | 11604.00 | 7755.00 | 8909.11 | 13175.50 | 7979.44 | 7180.00 | 6780.50 | |
| aspartate | 405.00 | 26619.22 | 29236.43 | 27155.56 | 515.50 | 5774.38 | 4578.57 | 5028.22 | 633.00 | 12117.89 | 16690.00 | 13235.12 | |
| aspartic acid | 1126.50 | 97701.22 | 113067.86 | 111888.44 | 1665.50 | 21065.50 | 13889.57 | 14702.67 | 1418.00 | 34006.89 | 57144.50 | 39765.88 | |
| behenic acid | 787.00 | 2123.22 | 726.29 | 730.67 | 747.50 | 1188.88 | 2514.29 | 2651.89 | 820.50 | 986.44 | 715.75 | 781.00 | |
| benzoic acid | 11390.00 | 5375.44 | 5153.14 | 4692.44 | 14689.00 | 3784.12 | 3930.29 | 4874.89 | 15043.50 | 4594.44 | 5156.38 | 5282.12 | |
| beta-alanine | 504.50 | 3029.78 | 2879.00 | 3062.78 | 605.00 | 7478.50 | 6004.14 | 9197.00 | 627.00 | 1049.78 | 967.00 | 862.62 | |
| beta-glutamic acid | 61.50 | 1506.56 | 2035.00 | 2233.33 | 301.00 | 897.25 | 363.00 | 472.78 | 351.00 | 315.44 | 368.62 | 406.00 | |
| beta-glycerolphosphate | 140.00 | 2086.33 | 2226.86 | 2439.56 | 163.00 | 682.25 | 529.00 | 461.22 | 244.00 | 352.11 | 274.75 | 274.50 | |
| bisphosphoglycerol | 62.50 | 617.78 | 286.71 | 383.11 | 172.50 | 1233.62 | 3065.29 | 1601.22 | 162.50 | 1300.22 | 936.75 | 1685.75 | |
| capric acid | 670.00 | 447.00 | 546.29 | 501.00 | 981.00 | 427.25 | 391.14 | 532.22 | 1036.50 | 477.89 | 639.25 | 755.88 | |
| cellobiose | 80.50 | 643.33 | 164.43 | 154.22 | 88.50 | 7427.50 | 24666.43 | 23324.56 | 157.00 | 171.22 | 233.88 | 521.62 | |
| cholestan-3-ol | 117.50 | 5255.56 | 4450.86 | 5490.22 | 183.00 | 916.00 | 1023.43 | 1094.00 | 163.50 | 1291.11 | 1628.62 | 1186.62 | |
| cholesterol | 74411.50 | 322155.67 | 297069.29 | 397137.56 | 142686.50 | 168357.00 | 238034.57 | 265679.67 | 150717.50 | 238693.56 | 419235.25 | 311026.62 | |
| cis-gondoic acid | 47.50 | 156.33 | 113.29 | 125.22 | 72.50 | 724.25 | 451.71 | 491.33 | 80.00 | 93.22 | 94.25 | 81.75 | |
| citramalic acid | 131.50 | 515.00 | 893.71 | 1372.22 | 182.00 | 224.50 | 83.14 | 85.22 | 174.00 | 119.44 | 87.38 | 98.50 | |
| citric acid | 14455.00 | 11505.44 | 20150.71 | 16345.22 | 22641.50 | 5920.75 | 6934.14 | 7345.44 | 24352.00 | 27648.89 | 16034.75 | 19122.00 | |
| citrulline | 414.50 | 925.33 | 803.00 | 771.22 | 626.50 | 698.00 | 657.71 | 671.67 | 624.00 | 313.11 | 352.12 | 339.25 | |
| conduritol-beta-expoxide | 156.00 | 4395.44 | 4976.00 | 4829.22 | 269.00 | 711.75 | 165.00 | 162.56 | 256.50 | 618.00 | 528.12 | 442.88 | |
| creatinine | 3464.50 | 19650.67 | 24098.71 | 20554.44 | 10348.00 | 6168.88 | 3561.29 | 3498.33 | 4013.50 | 13330.00 | 12205.50 | 9375.62 | |
| cysteine | 362.00 | 54934.11 | 43935.29 | 48667.78 | 1299.50 | 11955.12 | 5493.71 | 6822.56 | 582.50 | 8282.00 | 9403.25 | 6333.75 | |
| cysteine-glycine | 2167.50 | 1515.78 | 2250.29 | 1208.22 | 3177.00 | 3846.50 | 8215.14 | 5110.89 | 261.00 | 1691.00 | 464.00 | 587.25 | |
| cystine | 1773.00 | 16455.22 | 16363.29 | 17437.67 | 5698.00 | 2350.38 | 1747.71 | 1410.89 | 3702.00 | 839.00 | 859.12 | 587.00 | |
| cytidine-5-monophosphate | 147.00 | 2843.56 | 575.71 | 1246.44 | 155.50 | 7389.88 | 11958.29 | 11252.56 | 306.50 | 2502.78 | 4084.88 | 3872.62 | |
| dehydroascorbic acid | 498.00 | 10033.67 | 4863.29 | 11516.78 | 633.50 | 35115.88 | 36548.29 | 34906.89 | 737.00 | 5618.00 | 5967.62 | 7070.00 | |
| digalacturonic acid | 54.00 | 304.33 | 274.71 | 391.67 | 69.50 | 796.12 | 691.00 | 611.78 | 43.50 | 579.44 | 1077.00 | 1298.62 | |
| doconexent | 281.00 | 1200.33 | 1096.43 | 1204.00 | 178.50 | 1202.62 | 1318.57 | 2392.00 | 212.50 | 610.56 | 711.25 | 541.62 | |
| dodecanoic acid, isopropanol ester | 145.50 | 184.22 | 158.71 | 190.11 | 139.50 | 181.50 | 146.14 | 210.00 | 133.00 | 173.33 | 132.12 | 125.50 | |
| dodecanol | 321.00 | 218.00 | 211.57 | 198.89 | 228.50 | 199.38 | 194.00 | 224.56 | 210.50 | 204.89 | 211.50 | 238.88 | |
| enolpyruvate | 90.00 | 458.78 | 455.71 | 323.00 | 89.00 | 103.00 | 89.29 | 97.89 | 106.50 | 116.56 | 132.62 | 121.12 | |
| erythritol | 855.50 | 1052.56 | 1649.86 | 1807.56 | 1417.50 | 1321.25 | 1143.00 | 1384.33 | 1076.50 | 346.33 | 353.62 | 397.38 | |
| erythronic acid lactone | 114.00 | 280.67 | 294.43 | 339.33 | 91.50 | 222.75 | 199.00 | 246.33 | 129.50 | 344.22 | 403.25 | 313.00 | |
| ethanolamine | 315.50 | 91666.67 | 104481.43 | 147074.78 | 4434.00 | 21701.62 | 701.86 | 1762.89 | 3361.50 | 23402.00 | 14067.12 | 10753.38 | |
| ethanol phosphate | 113.00 | 642.89 | 1182.29 | 1122.33 | 134.00 | 5966.88 | 4772.43 | 8070.56 | 128.50 | 484.00 | 252.38 | 229.50 | |
| fructose | 5100.50 | 2093.78 | 1405.14 | 1303.11 | 9191.00 | 7144.50 | 6300.29 | 4588.11 | 7134.00 | 2218.44 | 2125.75 | 1026.50 | |
| fructose-1-phosphate | 113.00 | 640.56 | 810.86 | 792.22 | 76.50 | 941.75 | 1364.71 | 1207.11 | 89.00 | 284.33 | 392.88 | 301.62 | |
| fructose-6-phosphate | 68.00 | 1267.22 | 516.57 | 793.89 | 60.00 | 7035.75 | 8964.00 | 6699.22 | 72.50 | 2756.11 | 3748.00 | 2257.75 | |
| fucose | 677.00 | 2155.78 | 2059.86 | 2226.78 | 1095.00 | 7419.12 | 7725.14 | 7726.33 | 978.00 | 997.67 | 926.75 | 1303.00 | |
| fumaric acid | 152.00 | 5648.56 | 6403.86 | 5330.78 | 121.50 | 5291.25 | 10269.43 | 9650.33 | 144.50 | 4846.33 | 7414.00 | 5562.38 | |
| galactinol | 274.00 | 1457.56 | 1636.43 | 2169.67 | 270.00 | 1179.25 | 1344.86 | 1317.56 | 257.50 | 372.00 | 285.62 | 306.38 | |
| galactonic acid | 151.50 | 337.78 | 258.57 | 301.11 | 193.00 | 383.88 | 485.00 | 415.89 | 178.00 | 112.11 | 98.25 | 109.50 | |
| galactose-6-phosphate | 71.00 | 126.44 | 75.00 | 87.22 | 69.50 | 190.00 | 281.57 | 168.56 | 53.50 | 68.78 | 100.62 | 104.12 | |
| gamma-aminobutyric acid | 488.00 | 2754.33 | 1517.71 | 1401.00 | 747.00 | 1584.25 | 1405.43 | 1988.89 | 574.00 | 449.22 | 1921.25 | 2018.50 | |
| glucoheptulose | 227.00 | 825.33 | 461.57 | 664.67 | 554.00 | 3076.12 | 3358.71 | 3781.00 | 279.00 | 154.67 | 208.62 | 226.88 | |
| gluconic acid | 154.00 | 382.33 | 294.00 | 359.67 | 194.00 | 494.88 | 673.43 | 588.44 | 161.50 | 117.11 | 105.75 | 109.50 | |
| glucose | 148109.50 | 339735.44 | 159834.00 | 193752.56 | 329150.50 | 1229921.88 | 1561926.86 | 1427079.44 | 318525.00 | 115841.44 | 159825.88 | 207617.00 | |
| glucose-1-phosphate | 133.00 | 1550.11 | 610.57 | 1015.56 | 161.00 | 3581.38 | 2896.29 | 1537.89 | 198.50 | 822.33 | 836.88 | 717.12 | |
| glucose-6-phosphate | 416.50 | 1998.89 | 526.14 | 873.44 | 60.50 | 8656.62 | 10767.86 | 6653.56 | 137.00 | 4792.44 | 6547.50 | 4112.25 | |
| glutamate | 3396.50 | 49694.67 | 54983.29 | 46803.44 | 5758.50 | 19436.75 | 18912.14 | 16996.89 | 3630.50 | 19394.89 | 22633.62 | 21480.50 | |
| glutamic acid | 12457.00 | 182212.22 | 160726.57 | 165635.89 | 26166.00 | 46464.25 | 40693.71 | 38075.67 | 18420.50 | 44406.44 | 59143.25 | 46255.38 | |
| glutamine | 13870.00 | 2988.22 | 1902.71 | 1987.78 | 32524.50 | 1921.62 | 1861.00 | 2491.33 | 27416.50 | 3126.44 | 2997.12 | 3214.12 | |
| glutamine dehydrated | 2473.50 | 11477.56 | 8504.57 | 7411.22 | 4964.00 | 25331.62 | 20576.43 | 21821.56 | 2556.50 | 5693.44 | 7832.88 | 6599.38 | |
| glutaric acid | 110.50 | 113.33 | 118.86 | 123.56 | 87.00 | 122.88 | 220.43 | 193.22 | 96.00 | 93.00 | 92.38 | 104.75 | |
| glutathione | 77.00 | 1615.00 | 121.00 | 139.56 | 75.50 | 12637.38 | 15887.00 | 10802.78 | 129.00 | 373.78 | 554.50 | 503.00 | |
| glyceric acid | 2908.00 | 7336.11 | 9793.43 | 8374.33 | 4387.50 | 1832.50 | 439.29 | 645.44 | 3982.00 | 1044.89 | 1134.88 | 1838.00 | |
| glycerol | 17835.50 | 50240.33 | 37346.00 | 49613.11 | 29249.00 | 214673.62 | 206126.14 | 228541.00 | 29181.50 | 45291.33 | 57498.50 | 47208.62 | |
| glycerol-3-galactoside | 74.50 | 473.00 | 280.43 | 313.11 | 305.50 | 2252.88 | 2151.57 | 2513.44 | 112.50 | 129.89 | 216.00 | 156.88 | |
| glycerol-alpha-phosphate | 1718.00 | 11298.22 | 11144.71 | 17054.89 | 2840.50 | 5859.62 | 12009.86 | 10193.44 | 2576.00 | 18137.11 | 21804.50 | 26457.62 | |
| glycine | 26291.50 | 430798.22 | 299961.57 | 298763.44 | 55521.00 | 105534.88 | 111690.43 | 125063.67 | 38259.00 | 235730.56 | 276009.88 | 235315.12 | |
| glycocyamine | 128.00 | 440.44 | 925.00 | 721.78 | 156.50 | 207.12 | 83.71 | 105.22 | 131.00 | 144.00 | 116.00 | 84.12 | |
| glycolic acid | 770.00 | 772.11 | 748.71 | 865.22 | 716.50 | 508.62 | 507.57 | 521.78 | 776.00 | 700.67 | 934.62 | 1007.00 | |
| guanosine | 56.00 | 1710.33 | 1836.29 | 2297.33 | 92.00 | 503.00 | 426.29 | 491.11 | 63.00 | 682.89 | 479.50 | 313.50 | |
| heptadecanoic acid | 2859.00 | 3134.56 | 3313.86 | 3072.11 | 2485.50 | 3299.50 | 5171.71 | 5996.56 | 3245.00 | 2380.67 | 2856.75 | 3028.25 | |
| hexadecylglycerol | 66.00 | 801.11 | 649.57 | 734.67 | 79.00 | 187.75 | 145.00 | 182.22 | 104.00 | 249.89 | 244.00 | 161.00 | |
| hexitol | 245.50 | 7400.78 | 7115.14 | 7124.11 | 347.50 | 4302.25 | 5858.57 | 4018.44 | 467.00 | 846.00 | 919.38 | 915.25 | |
| hexonic acid | 756.50 | 984.33 | 944.00 | 1269.78 | 1837.00 | 2758.88 | 4359.14 | 4017.22 | 1936.50 | 528.56 | 657.88 | 747.88 | |
| hexose-6-phosphate | 131.00 | 257.44 | 128.29 | 157.00 | 60.00 | 587.75 | 899.14 | 547.67 | 72.00 | 1727.89 | 2455.88 | 1502.62 | |
| hexuronic acid | 861.00 | 45481.44 | 46719.71 | 49530.00 | 976.50 | 12302.12 | 13944.43 | 14152.11 | 1342.00 | 1922.00 | 1224.00 | 1803.75 | |
| histidine | 2235.50 | 8079.56 | 5578.14 | 6426.89 | 7032.00 | 8793.50 | 11346.57 | 12068.56 | 5710.00 | 683.56 | 783.75 | 728.38 | |
| hydroxycarbamate | 10747.50 | 6948.00 | 8392.29 | 8277.78 | 8153.00 | 8605.00 | 9582.14 | 8435.33 | 13105.00 | 7559.89 | 8459.12 | 9567.12 | |
| hydroxylamine | 66035.00 | 21091.89 | 24002.00 | 25635.56 | 17144.50 | 28882.75 | 29257.43 | 21408.33 | 31770.00 | 23541.22 | 26274.38 | 26452.62 | |
| hypoxanthine | 246.00 | 90843.22 | 79725.71 | 86122.44 | 238.00 | 34402.12 | 23227.43 | 27273.56 | 432.00 | 29706.67 | 34073.50 | 26134.00 | |
| indole-3-acetate | 817.50 | 382.11 | 68.00 | 99.56 | 1299.00 | 62.62 | 97.14 | 348.11 | 1408.00 | 68.44 | 101.38 | 65.25 | |
| indole-3-lactate | 475.50 | 149.78 | 225.86 | 154.56 | 829.00 | 145.25 | 195.71 | 181.22 | 876.50 | 162.00 | 210.25 | 216.88 | |
| inosine | 89.00 | 102313.22 | 101538.14 | 118768.67 | 114.50 | 48121.00 | 46249.71 | 56446.33 | 169.00 | 16195.89 | 9817.75 | 6976.25 | |
| inosine-5^-monophosphate | 86.00 | 1790.78 | 355.00 | 562.67 | 77.00 | 6920.75 | 9345.29 | 5426.89 | 96.00 | 5928.56 | 5834.75 | 6158.38 | |
| inositol-4-monophosphate | 1197.00 | 707.22 | 611.43 | 658.00 | 2187.00 | 343.75 | 295.29 | 386.56 | 2010.50 | 324.11 | 322.00 | 233.00 | |
| isocitric acid | 424.00 | 171.22 | 363.14 | 227.33 | 690.00 | 109.12 | 137.00 | 131.67 | 698.00 | 681.11 | 320.50 | 381.00 | |
| isoleucine | 23741.00 | 78693.78 | 74900.00 | 72923.11 | 40088.50 | 61116.88 | 59768.86 | 83026.44 | 44494.00 | 25003.89 | 29606.12 | 28250.88 | |
| isomaltose | 82.00 | 158.22 | 138.86 | 157.78 | 70.50 | 370.88 | 427.57 | 408.00 | 60.00 | 80.22 | 90.25 | 67.38 | |
| isothreonic acid | 613.00 | 1674.67 | 1913.71 | 2295.89 | 892.00 | 664.25 | 410.57 | 428.33 | 757.50 | 340.89 | 279.25 | 320.62 | |
| lactic acid | 96760.00 | 221224.44 | 141434.00 | 176148.89 | 143512.50 | 298265.62 | 309231.57 | 318584.56 | 163552.50 | 67875.22 | 98378.00 | 86750.88 | |
| lactitol | 86.00 | 799.00 | 128.29 | 126.00 | 63.50 | 3061.88 | 3530.14 | 3366.67 | 81.00 | 128.67 | 161.88 | 158.00 | |
| lactose | 169.50 | 6636.11 | 184.71 | 182.56 | 150.50 | 9012.38 | 19696.57 | 16392.56 | 183.00 | 305.89 | 367.12 | 404.50 | |
| lauric acid | 9172.50 | 7709.33 | 13219.57 | 8235.67 | 27597.50 | 7402.38 | 4697.71 | 8751.33 | 22109.50 | 10800.11 | 14611.38 | 22857.12 | |
| leucine | 42900.50 | 185169.44 | 173988.71 | 188691.00 | 70841.50 | 137990.50 | 133803.00 | 173895.78 | 68784.50 | 57929.44 | 60588.25 | 58889.12 | |
| levoglucosan | 362.00 | 197.00 | 184.57 | 738.22 | 602.00 | 515.38 | 430.86 | 310.44 | 530.50 | 407.22 | 276.38 | 262.88 | |
| linoleic acid | 1292.00 | 2864.33 | 3015.57 | 4339.33 | 2328.00 | 5550.50 | 8957.86 | 13242.22 | 2593.50 | 785.89 | 1317.25 | 1100.25 | |
| linolenic acid | 1252.00 | 2908.56 | 2897.00 | 3191.11 | 2191.00 | 8854.38 | 4438.86 | 4551.44 | 2401.50 | 880.11 | 1298.75 | 1071.12 | |
| lysine | 25674.00 | 16617.78 | 18364.57 | 18504.56 | 40202.50 | 15971.00 | 19086.71 | 23170.78 | 42485.00 | 6487.33 | 8055.50 | 6908.12 | |
| lyxitol | 575.50 | 13320.44 | 4981.29 | 12325.56 | 1119.00 | 3275.38 | 1153.71 | 2281.22 | 982.00 | 1821.44 | 1012.12 | 854.62 | |
| maleic acid | 151.00 | 145.56 | 120.29 | 91.00 | 130.50 | 95.25 | 98.71 | 120.78 | 111.00 | 74.78 | 100.88 | 83.50 | |
| maleimide | 570.50 | 2993.56 | 3331.57 | 3513.44 | 722.00 | 944.00 | 941.71 | 1178.56 | 586.00 | 620.33 | 655.12 | 604.75 | |
| malic acid | 312.00 | 6934.56 | 8432.71 | 8258.11 | 595.00 | 7883.62 | 16095.43 | 14171.22 | 369.00 | 5774.78 | 8113.25 | 6792.62 | |
| maltose | 496.50 | 93302.22 | 914.71 | 972.67 | 464.50 | 717054.38 | 682373.00 | 556382.22 | 739.00 | 7412.33 | 9715.88 | 8709.38 | |
| maltotriose | 133.00 | 2780.33 | 144.14 | 133.89 | 130.50 | 38281.75 | 36557.14 | 21259.33 | 132.00 | 199.44 | 156.62 | 158.50 | |
| mannose | 6835.50 | 30640.56 | 12171.29 | 13809.00 | 10879.50 | 100713.75 | 127273.57 | 93500.11 | 11866.00 | 2736.22 | 3480.12 | 3354.25 | |
| melezitose | 66.00 | 94.67 | 65.29 | 59.56 | 74.50 | 586.88 | 407.43 | 290.56 | 73.00 | 65.67 | 56.88 | 90.38 | |
| melibiose | 61.50 | 233.44 | 84.00 | 83.44 | 66.00 | 1048.75 | 960.86 | 686.44 | 55.00 | 64.44 | 58.00 | 62.62 | |
| methanolphosphate | 919.00 | 3328.11 | 3290.57 | 4203.11 | 1535.50 | 2443.38 | 2615.86 | 3362.33 | 2621.00 | 1674.44 | 2829.50 | 1759.75 | |
| methionine | 1344.00 | 26218.56 | 24621.00 | 24856.67 | 3044.50 | 15081.75 | 10040.71 | 12932.89 | 846.50 | 6318.44 | 6826.88 | 5799.62 | |
| methionine sulfoxide | 977.00 | 786.44 | 637.00 | 916.33 | 1542.50 | 781.75 | 624.14 | 684.33 | 1771.00 | 772.22 | 920.25 | 928.38 | |
| methyltetrahydrophenanthrenone | 329.00 | 810.33 | 575.14 | 755.33 | 535.50 | 659.62 | 675.29 | 775.67 | 476.00 | 718.11 | 633.75 | 721.38 | |
| myristic acid | 10214.50 | 12423.33 | 11565.29 | 11063.11 | 10472.00 | 16853.50 | 13377.00 | 14567.22 | 13825.00 | 10124.56 | 11429.38 | 13253.50 | |
| n-acetyl-d-hexosamine | 114.00 | 2352.00 | 1920.29 | 2375.78 | 116.50 | 3506.25 | 5297.71 | 4138.00 | 123.00 | 218.56 | 154.38 | 159.25 | |
| N-acetylglutamate | 166.00 | 199.67 | 135.29 | 118.56 | 59.00 | 620.25 | 761.86 | 1052.33 | 57.50 | 82.44 | 89.38 | 75.38 | |
| N-acetylmannosamine | 135.00 | 836.44 | 654.14 | 682.89 | 164.50 | 922.88 | 890.71 | 1072.11 | 131.50 | 271.22 | 224.25 | 214.12 | |
| nicotinamide | 116.50 | 34055.89 | 23347.71 | 30349.78 | 213.00 | 36541.62 | 40555.71 | 49426.67 | 178.50 | 9965.00 | 9205.88 | 8873.25 | |
| nicotinic acid | 6270.50 | 497.56 | 568.71 | 9615.44 | 4223.50 | 367.25 | 414.29 | 28149.67 | 7023.00 | 311.11 | 293.75 | 679.25 | |
| N-methylalanine | 8626.50 | 4134.00 | 3606.14 | 5147.67 | 12446.50 | 11971.38 | 6922.71 | 8587.33 | 10126.50 | 4712.67 | 3302.50 | 2710.75 | |
| nonadecanoic acid | 1459.50 | 835.44 | 1006.43 | 792.89 | 1663.00 | 1274.62 | 1297.14 | 1489.78 | 1408.00 | 794.33 | 941.12 | 986.50 | |
| octadecanol | 320.00 | 239.67 | 296.43 | 263.56 | 213.50 | 221.88 | 275.57 | 320.78 | 201.00 | 229.00 | 236.00 | 253.50 | |
| octanol | 633.50 | 866.67 | 654.14 | 797.78 | 778.00 | 837.88 | 900.00 | 811.22 | 724.50 | 672.44 | 717.38 | 697.38 | |
| oleic acid | 1758.00 | 9601.11 | 5821.43 | 7448.00 | 2762.00 | 46443.12 | 33153.86 | 36541.56 | 3206.00 | 3018.22 | 3061.12 | 2293.00 | |
| ornithine | 1922.00 | 4455.44 | 2921.71 | 2933.56 | 3298.50 | 10926.38 | 10356.00 | 11787.11 | 2882.00 | 1163.56 | 1510.12 | 1229.12 | |
| orotic acid | 81.00 | 151.44 | 332.00 | 664.56 | 82.00 | 491.75 | 239.43 | 584.11 | 88.50 | 271.78 | 246.25 | 270.75 | |
| oxalic acid | 4516.50 | 394.56 | 473.43 | 615.11 | 3416.50 | 233.25 | 263.00 | 335.22 | 4546.00 | 947.78 | 1537.62 | 999.00 | |
| oxoproline | 39239.50 | 196123.44 | 145627.86 | 149393.89 | 66308.50 | 408176.50 | 373942.14 | 373344.67 | 48950.00 | 145651.33 | 169408.12 | 158945.25 | |
| palmitic acid | 31590.50 | 49069.56 | 39527.43 | 42341.11 | 28992.50 | 110243.75 | 96828.29 | 111460.89 | 38109.50 | 32905.56 | 36216.00 | 34198.00 | |
| palmitoleic acid | 964.50 | 14617.89 | 3889.71 | 4645.22 | 1038.00 | 47433.38 | 18828.86 | 15528.67 | 1497.00 | 4092.22 | 1474.00 | 1235.12 | |
| pantothenic acid | 64.00 | 514.00 | 420.43 | 418.67 | 67.00 | 285.38 | 269.71 | 265.78 | 74.00 | 143.22 | 138.38 | 162.62 | |
| parabanic acid | 1086.00 | 424.78 | 544.86 | 690.44 | 737.00 | 508.75 | 445.43 | 430.22 | 810.00 | 400.89 | 415.62 | 438.12 | |
| pelargonic acid | 17157.00 | 14963.44 | 14283.86 | 15233.89 | 21016.00 | 12711.00 | 12973.29 | 16351.67 | 18926.00 | 15583.22 | 14976.50 | 17099.88 | |
| pentono-1,4-lactone | 871.50 | 545.78 | 259.14 | 316.11 | 1608.00 | 2235.25 | 2412.86 | 2850.78 | 156.00 | 427.33 | 888.62 | 1254.12 | |
| phenaceturic acid | 14336.00 | 7159.89 | 5223.00 | 6287.78 | 15243.50 | 32108.75 | 35350.00 | 33994.33 | 1547.50 | 1478.67 | 1964.75 | 2172.00 | |
| phenylalanine | 8578.50 | 30595.22 | 25830.14 | 25487.33 | 19306.50 | 21833.38 | 19383.00 | 23697.33 | 13422.50 | 10314.89 | 11520.12 | 10475.38 | |
| phenylethylamine | 175.50 | 4617.44 | 3885.57 | 5512.67 | 186.50 | 2408.38 | 2733.57 | 4082.67 | 240.50 | 1669.22 | 2714.75 | 1865.62 | |
| phosphate | 16516.00 | 168175.33 | 153967.29 | 203794.56 | 25752.50 | 125286.62 | 135623.86 | 120677.11 | 30522.00 | 47875.56 | 58484.38 | 56553.50 | |
| phosphoenolpyruvate | 151.00 | 6043.67 | 10703.86 | 8189.89 | 345.00 | 3127.38 | 1611.57 | 1149.89 | 120.00 | 6375.44 | 10684.75 | 6330.25 | |
| phosphoethanolamine | 415.00 | 5165.89 | 8039.00 | 7924.78 | 91.00 | 1852.88 | 1200.43 | 1411.67 | 182.50 | 3146.44 | 5534.25 | 5329.75 | |
| phosphogluconic acid | 1315.50 | 1351.33 | 1001.57 | 876.00 | 2475.50 | 556.00 | 647.29 | 829.67 | 2227.50 | 590.67 | 464.12 | 566.12 | |
| phthalic acid | 6797.00 | 8262.67 | 6834.43 | 8519.78 | 13665.00 | 18974.88 | 15861.14 | 17021.89 | 9788.00 | 21603.22 | 18114.25 | 1659.75 | |
| pipecolinic acid | 407.00 | 347.33 | 404.29 | 331.67 | 780.50 | 336.50 | 255.57 | 363.22 | 506.50 | 238.33 | 191.62 | 218.62 | |
| proline | 51536.50 | 136175.33 | 114491.86 | 95024.78 | 122207.50 | 60668.38 | 42523.00 | 62236.00 | 95024.00 | 27782.56 | 35479.00 | 28688.62 | |
| propane-1,3-diol NIST | 967.00 | 1317.67 | 989.71 | 1168.33 | 1012.50 | 1449.88 | 1366.43 | 1352.33 | 1204.50 | 1028.22 | 1038.62 | 1055.00 | |
| pseudo uridine | 686.00 | 948.22 | 2158.43 | 2499.00 | 946.00 | 493.88 | 460.57 | 506.22 | 1233.00 | 421.22 | 479.75 | 501.88 | |
| p-tolyl glucuronide | 71.50 | 248.44 | 841.86 | 708.44 | 923.00 | 137.38 | 137.86 | 137.78 | 1316.00 | 99.33 | 84.75 | 95.75 | |
| putrescine | 128.00 | 857.67 | 1207.86 | 1274.89 | 162.00 | 1142.88 | 647.29 | 1134.56 | 157.00 | 387.00 | 409.25 | 314.88 | |
| pyrophosphate | 1485.00 | 17093.67 | 12332.86 | 15902.89 | 1861.50 | 30588.75 | 38309.29 | 40836.11 | 1980.00 | 7156.44 | 9799.62 | 10987.62 | |
| pyruvic acid | 602.00 | 9984.33 | 5842.57 | 7360.89 | 562.50 | 4138.12 | 3157.00 | 3200.78 | 633.50 | 1681.00 | 1048.75 | 1002.50 | |
| raffinose | 61.50 | 4139.00 | 66.14 | 60.89 | 66.50 | 12073.75 | 14004.14 | 16007.56 | 67.00 | 147.22 | 76.75 | 97.88 | |
| ribitol | 178.00 | 24144.11 | 20710.00 | 22061.33 | 303.50 | 7645.25 | 6475.43 | 6766.56 | 257.50 | 1688.11 | 836.75 | 807.62 | |
| ribonic acid | 109.00 | 1354.33 | 510.29 | 450.78 | 203.50 | 3470.00 | 4009.43 | 4832.22 | 215.50 | 252.00 | 171.50 | 242.25 | |
| ribose | 128.00 | 38758.89 | 33099.14 | 34572.78 | 182.50 | 34404.25 | 34177.29 | 37138.56 | 193.00 | 2689.67 | 1094.62 | 910.00 | |
| ribose-5-phosphate | 74.00 | 608.22 | 550.57 | 698.89 | 97.50 | 432.25 | 660.14 | 673.33 | 105.50 | 611.56 | 572.00 | 521.00 | |
| ribulose-5-phosphate | 64.00 | 249.22 | 191.00 | 241.67 | 104.50 | 330.12 | 413.57 | 313.56 | 50.50 | 839.67 | 1150.38 | 960.00 | |
| sebacic acid, di(2-octyl) ester | 1002.50 | 1159.56 | 1075.71 | 1143.67 | 985.50 | 1119.00 | 1210.00 | 1238.33 | 1120.00 | 1059.44 | 1019.25 | 1036.88 | |
| serine | 13942.00 | 110530.00 | 108142.29 | 95965.22 | 21632.50 | 51034.75 | 37524.29 | 48850.78 | 21041.00 | 34490.11 | 41343.25 | 35748.62 | |
| shikimic acid | 221.00 | 1433.89 | 1638.43 | 970.67 | 1147.00 | 1658.38 | 3583.86 | 3427.67 | 604.50 | 222.22 | 194.00 | 274.00 | |
| sorbitol | 996.50 | 10984.44 | 20401.00 | 16610.11 | 1599.00 | 17387.62 | 25684.86 | 20787.44 | 2073.00 | 860.44 | 952.00 | 1000.50 | |
| spermidine | 91.00 | 226.78 | 201.43 | 231.11 | 108.00 | 342.12 | 377.86 | 667.33 | 107.00 | 230.33 | 371.25 | 360.50 | |
| squalene | 460.50 | 365.67 | 351.00 | 331.33 | 320.50 | 538.25 | 1321.57 | 1261.89 | 667.00 | 268.11 | 381.62 | 271.38 | |
| stearic acid | 222607.50 | 177680.56 | 198151.43 | 189861.89 | 173303.00 | 175706.38 | 218329.14 | 246499.67 | 244100.00 | 186369.33 | 216610.25 | 209497.00 | |
| succinate semialdehyde | 371.00 | 588.56 | 407.57 | 421.22 | 304.50 | 813.12 | 515.14 | 419.11 | 522.50 | 437.56 | 618.12 | 458.62 | |
| succinic acid | 1175.50 | 329.33 | 541.00 | 380.67 | 1654.50 | 499.38 | 522.00 | 409.78 | 1789.00 | 300.22 | 611.75 | 669.25 | |
| sucrose | 173.00 | 666.33 | 2864.86 | 335.89 | 256.50 | 129.25 | 2147.43 | 187.78 | 86.50 | 121.44 | 3115.75 | 144.25 | |
| sulfuric acid | 88.50 | 361.44 | 605.43 | 1143.89 | 103.00 | 2794.50 | 8154.71 | 3660.67 | 79.00 | 3502.78 | 1319.88 | 1138.25 | |
| tartaric acid | 137.00 | 391.11 | 4227.86 | 2065.78 | 376.00 | 85.12 | 152.29 | 98.44 | 63.50 | 141.56 | 216.75 | 114.38 | |
| taurine | 455.00 | 157446.33 | 125706.29 | 237469.11 | 2865.50 | 465052.12 | 351953.29 | 272982.78 | 1289.00 | 110696.89 | 138379.75 | 124181.50 | |
| threitol | 285.00 | 138.00 | 213.29 | 311.44 | 457.00 | 584.88 | 1844.86 | 894.56 | 370.50 | 124.67 | 110.12 | 131.12 | |
| threonic acid | 1194.50 | 823.11 | 759.14 | 1055.33 | 1769.00 | 717.38 | 690.14 | 831.78 | 1441.00 | 4278.44 | 6306.88 | 6216.88 | |
| threonine | 21629.00 | 47020.00 | 44731.29 | 41162.56 | 23361.50 | 28156.62 | 25516.86 | 33260.44 | 24603.50 | 16667.67 | 21579.12 | 18268.88 | |
| thymidine | 166.00 | 266.78 | 271.29 | 258.22 | 183.50 | 237.12 | 227.00 | 282.44 | 162.00 | 352.33 | 402.25 | 397.50 | |
| tocopherol alpha | 1376.00 | 4264.00 | 1602.14 | 1979.11 | 2957.00 | 17049.88 | 8192.00 | 7905.33 | 3379.00 | 1003.89 | 1558.50 | 1179.75 | |
| tocopherol gamma | 482.50 | 256.22 | 224.71 | 280.89 | 725.50 | 122.50 | 174.57 | 204.67 | 828.00 | 106.78 | 119.88 | 137.62 | |
| trans-4-hydroxyproline | 523.00 | 361.44 | 292.29 | 259.11 | 987.00 | 184.75 | 176.43 | 164.44 | 620.50 | 191.11 | 201.75 | 201.25 | |
| tryptophan | 20904.00 | 17863.89 | 16666.29 | 17488.00 | 40928.50 | 11673.50 | 12329.00 | 14057.67 | 40131.50 | 6205.67 | 8437.88 | 7275.38 | |
| tyrosine | 17791.50 | 47724.11 | 54109.00 | 53300.33 | 33057.50 | 25252.50 | 25104.43 | 31456.33 | 31831.00 | 9551.11 | 12029.62 | 10873.00 | |
| UDP GlcNAc | 78.00 | 375.33 | 331.86 | 364.78 | 65.00 | 481.38 | 615.00 | 723.11 | 36.00 | 158.78 | 146.00 | 211.50 | |
| UDP-glucuronic acid | 164.00 | 3748.89 | 3645.86 | 4978.00 | 265.00 | 2126.88 | 2424.57 | 2849.00 | 263.50 | 644.89 | 556.00 | 475.25 | |
| UDP-N-acetylglucosamine | 87.50 | 252.11 | 130.43 | 144.33 | 53.50 | 772.38 | 1143.00 | 1178.89 | 91.00 | 239.89 | 299.25 | 322.25 | |
| uracil | 87.00 | 25872.00 | 22823.71 | 22995.22 | 99.00 | 7247.00 | 3995.29 | 4951.33 | 115.00 | 9473.44 | 10468.00 | 8992.00 | |
| urea | 136596.50 | 309057.56 | 319051.71 | 381153.33 | 205517.00 | 211869.50 | 219554.00 | 246483.11 | 125753.50 | 184567.67 | 211919.12 | 210084.12 | |
| uric acid | 8735.50 | 1959.22 | 3160.14 | 3452.56 | 14301.50 | 450.25 | 536.43 | 727.22 | 15030.50 | 3260.78 | 3353.50 | 4783.25 | |
| uridine | 252.50 | 17837.00 | 17850.00 | 19648.67 | 263.50 | 16039.25 | 16878.71 | 17511.11 | 377.50 | 2296.44 | 1192.25 | 888.50 | |
| valine | 72019.50 | 134592.89 | 125174.29 | 115764.22 | 127885.50 | 102999.12 | 111178.14 | 136473.11 | 116824.00 | 49626.78 | 56110.62 | 50632.25 | |
| xanthine | 71.50 | 16307.56 | 13416.14 | 14759.44 | 98.00 | 14095.00 | 17773.29 | 19464.67 | 118.50 | 7203.67 | 8395.50 | 6130.88 | |
| xanthosine | 83.50 | 740.33 | 319.43 | 328.56 | 69.50 | 1839.75 | 2399.57 | 2580.78 | 72.50 | 128.56 | 139.88 | 130.00 | |
| xylitol | 291.50 | 5955.44 | 3822.71 | 5801.56 | 577.50 | 12737.38 | 10916.71 | 12348.44 | 505.00 | 707.78 | 743.50 | 677.12 | |
| xylonic acid isomer | 132.00 | 507.44 | 325.71 | 359.33 | 157.50 | 857.62 | 876.57 | 1110.67 | 156.50 | 609.56 | 564.12 | 744.50 | |
| xylonolactone | 133.00 | 388.89 | 1499.14 | 865.89 | 160.50 | 591.25 | 531.43 | 569.89 | 76.50 | 132.22 | 122.62 | 114.62 | |
| xylose | 538.00 | 1341.89 | 1764.43 | 1719.78 | 983.50 | 2079.62 | 1358.14 | 1551.22 | 1040.50 | 690.56 | 705.75 | 680.12 | |
| xylulose | 289.50 | 1618.22 | 1438.71 | 1366.00 | 863.50 | 2344.25 | 1556.00 | 1614.33 | 315.50 | 298.44 | 203.88 | 221.12 |
Factors:
| F1 | Organ:Kidney | Diet Assignment:Biorecs - 2 |
| F2 | Organ:Kidney | Diet Assignment:Control Chow |
| F3 | Organ:Kidney | Diet Assignment:High Fat Chow |
| F4 | Organ:Kidney | Diet Assignment:Very High Fat Chow |
| F5 | Organ:Liver | Diet Assignment:Biorecs - 2 |
| F6 | Organ:Liver | Diet Assignment:Control Chow |
| F7 | Organ:Liver | Diet Assignment:High Fat Chow |
| F8 | Organ:Liver | Diet Assignment:Very High Fat Chow |
| F9 | Organ:Lung | Diet Assignment:Biorecs - 2 |
| F10 | Organ:Lung | Diet Assignment:Control Chow |
| F11 | Organ:Lung | Diet Assignment:High Fat Chow |
| F12 | Organ:Lung | Diet Assignment:Very High Fat Chow |
