Data for ST000495
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 1,5-anhydroglucitol | 9542.00 | 2682.75 | 7383.50 | 7557.25 | 22263.50 | 6239.00 | 3083.00 | 4914.50 | |
| 1-methylhydantoin | 3076.00 | 1124.00 | 896.00 | 522.25 | 4815.00 | 885.00 | 2799.50 | 1417.50 | |
| 1-monoolein | 1427.00 | 732.50 | 1258.00 | 1162.25 | 4560.00 | 185.75 | 297.00 | 518.25 | |
| 1-monopalmitin | 928.50 | 965.50 | 931.00 | 671.50 | 4039.00 | 490.25 | 769.00 | 224.00 | |
| 1-monostearin | 1347.00 | 1255.75 | 7340.00 | 2876.00 | 8549.50 | 9382.75 | 1609.00 | 1171.00 | |
| 2,4-diaminobutyric acid | 881.00 | 470.00 | 2109.00 | 2603.25 | 2264.00 | 3084.25 | 938.50 | 1363.00 | |
| 2,5-dihydroxypyrazine NIST | 267.00 | 298.00 | 898.00 | 4849.50 | 1239.50 | 237.50 | 383.50 | 601.75 | |
| 2,8-dihydroxyquinoline | 180.50 | 266.50 | 125.50 | 54.00 | 1934.50 | 480.50 | 156.50 | 161.50 | |
| 2-deoxyguanosine | 1918.00 | 1240.00 | 3074.50 | 4954.00 | 2150.00 | 2951.25 | 1733.50 | 1063.00 | |
| 2-deoxytetronic acid | 685.50 | 494.50 | 199.00 | 169.25 | 888.00 | 123.75 | 1158.00 | 1547.00 | |
| 2-hydroxybutanoic acid | 2647.50 | 23291.50 | 22561.50 | 17478.25 | 76736.50 | 36408.75 | 2547.50 | 23364.75 | |
| 2-hydroxyglutaric acid | 694.50 | 1414.25 | 328.00 | 181.00 | 1525.50 | 317.00 | 947.00 | 2530.50 | |
| 2-hydroxyhexanoic acid | 581.00 | 850.50 | 136.00 | 67.75 | 1868.50 | 780.75 | 1084.00 | 3059.75 | |
| 2-ketobutyric acid | 1314.00 | 868.50 | 12919.00 | 12901.00 | 11660.50 | 11972.00 | 1033.50 | 1021.25 | |
| 2-ketoisocaproic acid | 746.50 | 730.50 | 1007.00 | 5463.25 | 9625.00 | 861.75 | 973.50 | 762.00 | |
| 3-(3-hydroxyphenyl)propionic acid | 43153.00 | 3742.00 | 222.50 | 106.75 | 1024.50 | 131.75 | 28183.00 | 71601.25 | |
| 3,4-dihydroxycinnamic acid | 309.50 | 876.75 | 367.50 | 326.50 | 512.50 | 247.75 | 818.00 | 1104.00 | |
| 3,4-dihydroxyphenylacetic acid | 166.00 | 369.25 | 54.50 | 58.25 | 350.00 | 54.50 | 307.00 | 2613.00 | |
| 3-(4-hydroxyphenyl)propionic acid | 21234.00 | 6690.75 | 124.50 | 177.75 | 981.50 | 142.75 | 29833.00 | 31817.00 | |
| 3,6-anhydro-D-galactose | 878.00 | 1145.50 | 405.00 | 280.75 | 2984.50 | 1022.50 | 964.50 | 1608.25 | |
| 3-hydroxybutyric acid | 1105.00 | 4973.25 | 2962.50 | 2722.00 | 18148.50 | 2686.00 | 1341.50 | 17068.00 | |
| 3-phenyllactic acid | 500.00 | 2163.75 | 95.00 | 54.25 | 976.00 | 454.25 | 969.50 | 5434.25 | |
| 4-aminobutyric acid | 420.00 | 3943.50 | 10802.50 | 8763.25 | 23836.50 | 1211.75 | 579.50 | 6590.75 | |
| 4-hydroxybenzoate | 2778.00 | 1687.25 | 411.00 | 430.25 | 1926.00 | 891.75 | 5267.50 | 4289.00 | |
| 4-hydroxybutyric acid | 269.00 | 869.50 | 303.00 | 236.00 | 1998.50 | 161.25 | 450.50 | 4480.75 | |
| 4-hydroxyphenylacetic acid | 10963.50 | 5512.25 | 66.00 | 45.50 | 1669.00 | 437.00 | 14274.50 | 20528.00 | |
| 5-aminovaleric acid | 1001391.00 | 635292.00 | 7673.50 | 14647.25 | 277318.00 | 61215.75 | 1180094.50 | 657107.50 | |
| 5-deoxy-5-methylthioadenosine | 63.50 | 237.75 | 267.50 | 165.25 | 585.50 | 160.75 | 173.50 | 263.00 | |
| 5-methoxytryptamine | 1317.00 | 620.25 | 1306.00 | 1195.50 | 2576.50 | 2564.00 | 1761.50 | 711.75 | |
| 6-deoxyglucose | 6180.50 | 14334.75 | 808.50 | 6408.25 | 6535.50 | 1144.25 | 18031.00 | 14584.00 | |
| 7-methylguanine NIST | 2092.00 | 1401.00 | 345.50 | 328.25 | 1434.00 | 291.50 | 2596.00 | 1049.50 | |
| adenine | 1109.50 | 5272.75 | 1972.00 | 1593.75 | 6187.50 | 1352.25 | 4593.50 | 6530.50 | |
| adipic acid | 400.50 | 612.25 | 534.00 | 375.00 | 2405.50 | 302.00 | 684.00 | 1224.75 | |
| alanine | 342032.00 | 295677.75 | 4194564.50 | 4088603.25 | 4180119.50 | 3880198.50 | 301362.50 | 393649.25 | |
| alanine-alanine | 11456.00 | 18126.75 | 32576.00 | 34858.00 | 17391.50 | 13928.25 | 13594.50 | 15396.75 | |
| allantoic acid | 565.00 | 1276.00 | 1376.00 | 1039.00 | 16727.50 | 1800.75 | 679.50 | 835.25 | |
| alpha-ketoglutarate | 225.00 | 153.00 | 179.50 | 65.25 | 7782.00 | 361.75 | 214.50 | 169.75 | |
| aminomalonate | 661.00 | 747.00 | 32269.50 | 26074.50 | 34501.00 | 8091.00 | 798.00 | 669.00 | |
| arachidic acid | 2569.50 | 1021.50 | 3498.00 | 2200.50 | 11407.50 | 1443.00 | 2514.50 | 1104.25 | |
| arachidonic acid | 1736.50 | 278.75 | 9513.00 | 2691.75 | 99210.00 | 1704.75 | 1447.50 | 221.00 | |
| asparagine | 7501.00 | 8148.50 | 159622.00 | 236887.25 | 66952.00 | 81390.50 | 9243.00 | 10402.00 | |
| aspartic acid | 40449.00 | 29169.00 | 1184336.50 | 1382775.00 | 669055.00 | 794910.25 | 21259.00 | 14849.25 | |
| azelaic acid | 245.50 | 227.00 | 212.00 | 117.00 | 622.50 | 120.75 | 503.50 | 547.50 | |
| behenic acid | 1177.00 | 663.25 | 982.50 | 592.75 | 5204.00 | 658.50 | 1317.50 | 1229.50 | |
| benzoic acid | 6028.50 | 5464.75 | 4907.50 | 6074.00 | 28132.00 | 2812.25 | 7565.50 | 5430.75 | |
| beta-alanine | 1896.50 | 1115.25 | 2156.50 | 1704.75 | 5515.50 | 622.00 | 2028.00 | 4577.50 | |
| beta-glutamic acid | 1287.50 | 573.00 | 166.00 | 141.00 | 518.50 | 11038.75 | 249.00 | 252.75 | |
| beta-glycerolphosphate | 188.00 | 254.00 | 1393.50 | 1263.75 | 3165.00 | 190.25 | 263.50 | 286.00 | |
| beta-sitosterol | 2358.00 | 336.75 | 72.50 | 45.75 | 450.00 | 199.00 | 708.50 | 305.75 | |
| biphenyl | 911.00 | 441.50 | 696.00 | 605.00 | 1105.00 | 184.50 | 745.50 | 1272.00 | |
| butyrolactam NIST | 616.50 | 1695.75 | 1717.00 | 1258.75 | 6482.00 | 576.00 | 838.00 | 2394.75 | |
| capric acid | 751.50 | 463.25 | 473.00 | 411.00 | 3383.50 | 315.75 | 797.00 | 497.75 | |
| caprylic acid | 2298.00 | 1497.50 | 6499.50 | 4088.50 | 13186.50 | 1422.75 | 2803.50 | 1585.75 | |
| cellobiose | 80.00 | 156.00 | 161.50 | 238.50 | 352.50 | 154.50 | 211.50 | 383.00 | |
| cholesterol | 2059.00 | 1039.50 | 3035.50 | 1553.00 | 18173.00 | 1442.00 | 1750.50 | 503.75 | |
| citric acid | 162.50 | 246.75 | 851.00 | 372.50 | 8957.00 | 1598.00 | 161.00 | 169.00 | |
| citrulline | 2173.00 | 3735.50 | 14353.00 | 20901.00 | 18377.50 | 20225.50 | 2331.50 | 4029.75 | |
| creatinine | 885.50 | 6483.00 | 128450.50 | 112568.50 | 200756.00 | 16886.75 | 3826.50 | 8467.25 | |
| cystathionine NIST | 1420.00 | 2330.75 | 2864.50 | 1464.25 | 6864.50 | 1450.50 | 4605.00 | 8226.00 | |
| cysteine | 3709.50 | 5153.75 | 254586.00 | 204608.50 | 63581.00 | 33283.00 | 5644.00 | 4799.75 | |
| cysteine-glycine | 696.00 | 494.00 | 777.50 | 4570.00 | 1147.50 | 750.00 | 573.50 | 536.50 | |
| cystine | 301.00 | 499.50 | 182573.50 | 167071.50 | 48475.50 | 76591.75 | 434.00 | 385.50 | |
| cytidine | 606.50 | 173.00 | 20103.00 | 19178.25 | 4821.50 | 846.25 | 479.50 | 167.25 | |
| cytosine | 977.50 | 633.75 | 11806.50 | 16989.50 | 2565.00 | 3418.00 | 851.50 | 606.50 | |
| dehydroascorbic acid | 2263.50 | 3543.25 | 22268.00 | 28593.00 | 2504.50 | 14849.75 | 1720.00 | 3903.25 | |
| D-erythro-sphingosine | 121.50 | 586.75 | 286.50 | 479.00 | 460.00 | 1418.75 | 240.00 | 204.00 | |
| digalacturonic acid | 42.00 | 482.25 | 96.50 | 81.25 | 1168.00 | 281.25 | 102.50 | 133.25 | |
| dihydroxyacetone | 1101.00 | 817.25 | 4861.00 | 2742.75 | 5223.00 | 538.75 | 1416.00 | 1272.50 | |
| erythritol | 230.00 | 2359.75 | 1202.00 | 811.00 | 4437.50 | 489.25 | 764.50 | 5385.50 | |
| ethanolamine | 17962.50 | 26213.25 | 2753779.00 | 1953541.00 | 3106924.00 | 557976.25 | 21017.00 | 17381.75 | |
| ferulic acid | 715.50 | 748.50 | 517.50 | 748.75 | 618.50 | 231.50 | 1589.00 | 725.50 | |
| fructose | 896.00 | 539.00 | 2054.50 | 1103.25 | 2031.00 | 113.50 | 723.50 | 740.00 | |
| fucose | 35972.50 | 90583.25 | 13698.00 | 6469.00 | 79191.00 | 5947.50 | 30813.00 | 25200.25 | |
| fumaric acid | 1393.00 | 1944.50 | 28677.50 | 13621.75 | 60948.50 | 6703.25 | 1753.00 | 1619.25 | |
| galactinol | 279.50 | 1446.25 | 507.50 | 333.00 | 2950.50 | 2157.75 | 474.00 | 256.25 | |
| galactose | 20021.00 | 30852.50 | 16648.00 | 10860.75 | 68625.00 | 6361.50 | 18709.50 | 13698.50 | |
| galacturonic acid | 187.00 | 2300.25 | 2233.00 | 2827.75 | 2125.00 | 1441.25 | 317.00 | 246.75 | |
| glucoheptulose | 258.50 | 308.50 | 370.00 | 157.00 | 3736.50 | 934.25 | 324.00 | 208.75 | |
| gluconic acid | 41.50 | 55.00 | 587.50 | 257.00 | 462.50 | 114.25 | 74.00 | 93.50 | |
| glucose | 17257.00 | 21214.00 | 11886.50 | 5052.25 | 16875.00 | 4784.50 | 24508.50 | 22685.25 | |
| glucose-1-phosphate | 669.50 | 1378.75 | 1321.50 | 1868.25 | 6274.00 | 5534.50 | 1349.00 | 1039.25 | |
| glutamic acid | 106850.50 | 199107.50 | 1924751.50 | 1529959.50 | 2169975.50 | 1671627.75 | 99331.00 | 182024.50 | |
| glutamine | 3992.50 | 14676.50 | 176435.50 | 447432.25 | 121818.00 | 275656.00 | 3953.00 | 15131.75 | |
| glutamyl-valine | 129.50 | 802.50 | 1599.50 | 1959.75 | 4291.00 | 3079.00 | 259.00 | 186.50 | |
| glutaric acid | 386.00 | 414.25 | 128.50 | 119.50 | 1068.00 | 195.50 | 495.50 | 1041.25 | |
| glyceric acid | 5274.00 | 3327.75 | 4946.00 | 3527.00 | 17475.00 | 2442.25 | 6543.00 | 2032.00 | |
| glycerol | 25628.00 | 17274.50 | 1019329.50 | 685511.25 | 2793465.50 | 263728.00 | 25260.50 | 16974.25 | |
| glycerol-3-galactoside | 477.50 | 742.75 | 3803.00 | 1904.00 | 8343.00 | 2910.75 | 894.00 | 689.25 | |
| glycerol-alpha-phosphate | 1500.50 | 2159.50 | 28558.50 | 16696.50 | 38713.50 | 2390.50 | 1387.50 | 778.25 | |
| glycine | 19043.50 | 20038.25 | 1387569.50 | 968616.75 | 1413281.50 | 816675.50 | 23034.00 | 33737.00 | |
| glycolic acid | 11520.50 | 9076.50 | 2107.50 | 2116.25 | 16244.00 | 1511.00 | 12371.00 | 8383.25 | |
| glycyl tyrosine | 382.00 | 766.00 | 1078.50 | 2453.75 | 1969.00 | 3725.25 | 664.50 | 228.25 | |
| gly-pro | 228.50 | 786.50 | 129.00 | 318.50 | 439.00 | 782.50 | 283.50 | 558.25 | |
| guanine | 861.00 | 943.00 | 215.00 | 217.00 | 1752.00 | 1565.75 | 606.50 | 652.75 | |
| guanosine | 3226.00 | 1657.00 | 9014.50 | 1773.50 | 4147.50 | 2184.75 | 3150.00 | 841.75 | |
| heptadecanoic acid | 3939.50 | 2167.00 | 2803.50 | 1461.50 | 32561.00 | 4335.25 | 4170.00 | 2002.00 | |
| hexitol | 181.50 | 977.75 | 4946.50 | 5387.75 | 53103.50 | 11018.00 | 726.00 | 706.25 | |
| hexonic acid | 381.50 | 497.00 | 859.00 | 699.00 | 677.50 | 516.00 | 457.50 | 576.25 | |
| hexuronic acid | 1082.50 | 9705.00 | 12466.00 | 34593.75 | 52969.00 | 37378.00 | 1659.50 | 485.75 | |
| histidine | 11989.50 | 17175.00 | 227245.00 | 374193.75 | 153376.50 | 629556.50 | 15104.50 | 16379.75 | |
| homocystine | 134.50 | 541.00 | 344.00 | 512.25 | 705.50 | 138.75 | 167.50 | 1131.25 | |
| homoserine | 1224.00 | 2709.25 | 286.50 | 230.25 | 1484.50 | 454.50 | 1634.50 | 2839.75 | |
| hydroxycarbamate NIST | 5831.50 | 6355.25 | 7352.50 | 4554.50 | 46315.50 | 3244.50 | 9406.50 | 5445.00 | |
| hydroxylamine | 41152.50 | 43091.50 | 48654.50 | 40275.75 | 284818.00 | 53161.25 | 47506.00 | 32982.00 | |
| hypoxanthine | 17846.50 | 14453.25 | 35508.50 | 20814.25 | 10567.50 | 53842.00 | 9275.50 | 4314.50 | |
| indole-3-acetate | 2168.00 | 2653.00 | 127.00 | 74.75 | 595.50 | 132.50 | 3578.50 | 7327.25 | |
| inosine | 13809.50 | 3214.00 | 11800.50 | 5043.50 | 2015.50 | 1103.50 | 8296.50 | 1297.25 | |
| inositol-4-monophosphate | 172.00 | 149.50 | 650.00 | 166.00 | 1800.00 | 49.75 | 197.50 | 123.25 | |
| isoleucine | 80840.00 | 95256.75 | 1005802.00 | 1260418.75 | 744682.00 | 2087347.25 | 72981.00 | 70816.25 | |
| isothreonic acid | 351.00 | 453.50 | 510.00 | 384.00 | 2046.00 | 229.50 | 330.00 | 611.50 | |
| lactamide | 58.50 | 281.50 | 815.50 | 454.50 | 1913.00 | 230.25 | 49.50 | 230.00 | |
| lactose | 748.50 | 200.50 | 498.50 | 882.75 | 769.00 | 251.25 | 162.00 | 167.25 | |
| leucine | 286230.00 | 154320.25 | 2952404.50 | 2207114.75 | 2528712.00 | 3623213.25 | 156985.00 | 117343.75 | |
| levoglucosan | 466.00 | 238.00 | 476.50 | 519.00 | 2082.50 | 1400.50 | 500.00 | 670.25 | |
| linoleic acid | 656.00 | 184.25 | 3275.00 | 1307.00 | 24946.00 | 567.25 | 775.00 | 590.75 | |
| lysine | 79257.00 | 76497.00 | 860254.50 | 1276671.50 | 401917.50 | 964585.50 | 103494.00 | 117169.50 | |
| lyxitol | 825.50 | 2934.50 | 21191.00 | 11458.75 | 10523.50 | 2200.00 | 1327.00 | 3979.50 | |
| lyxose | 2523.50 | 1668.75 | 1687.00 | 3386.25 | 2745.50 | 3895.75 | 3276.00 | 3060.75 | |
| maleimide | 2428.50 | 2825.00 | 12711.00 | 18075.75 | 24859.00 | 4340.75 | 2092.00 | 2744.25 | |
| malic acid | 2601.50 | 2386.00 | 50224.00 | 30774.75 | 100725.50 | 4938.00 | 1870.00 | 840.75 | |
| maltose | 3044.50 | 3088.00 | 1281.50 | 3081.75 | 15308.50 | 2014.00 | 3722.00 | 4837.75 | |
| maltotriose | 86.00 | 84.25 | 63.50 | 34.00 | 214.00 | 41.50 | 222.50 | 128.00 | |
| mannose | 2901.50 | 3253.75 | 4813.00 | 3717.75 | 13435.50 | 1712.25 | 1701.50 | 1830.00 | |
| methanolphosphate | 278.50 | 2569.25 | 3393.50 | 22624.25 | 3620.50 | 803.25 | 1616.50 | 3386.00 | |
| methionine | 13653.00 | 16603.25 | 335652.00 | 572420.75 | 182750.00 | 426309.75 | 11854.50 | 15049.25 | |
| methionine sulfoxide | 5041.50 | 4766.75 | 4860.00 | 11291.25 | 26181.50 | 9603.00 | 4985.00 | 5042.25 | |
| methyl O-D-galactopyranoside | 39861.50 | 10274.25 | 2362.00 | 2399.75 | 10446.00 | 3188.00 | 13154.50 | 12632.75 | |
| methyltetrahydrophenanthrenone NIST | 756.00 | 595.50 | 793.00 | 561.25 | 3512.50 | 474.75 | 959.50 | 851.75 | |
| myristic acid | 11699.00 | 8333.25 | 5080.50 | 4858.25 | 44114.50 | 2774.00 | 14069.50 | 17274.25 | |
| N-acetylaspartic acid | 1020.50 | 1641.50 | 688.00 | 564.75 | 2324.50 | 1156.50 | 1656.00 | 1156.00 | |
| N-acetyl-D-galactosamine | 9931.50 | 10459.75 | 7074.50 | 3185.50 | 3822.00 | 1813.00 | 9093.00 | 2869.25 | |
| N-acetyl-D-hexosamine | 1324.00 | 565.25 | 3925.50 | 2647.75 | 4253.50 | 667.75 | 879.50 | 544.25 | |
| N-acetyl-L-ornithine | 1879.50 | 1483.50 | 503.00 | 226.50 | 546.50 | 10347.50 | 1863.00 | 1213.25 | |
| N-acetylputrescine | 2624.00 | 4150.00 | 12521.00 | 14778.25 | 18077.50 | 7716.50 | 2946.00 | 3964.00 | |
| n-epsilon-trimethyllysine | 575.00 | 260.25 | 1021.50 | 1459.50 | 461.50 | 1284.00 | 243.50 | 456.50 | |
| nicotinamide | 413.50 | 642.00 | 16402.50 | 9695.25 | 14504.00 | 399.25 | 1132.00 | 1376.50 | |
| nicotinic acid | 18220.00 | 13096.50 | 996.00 | 565.50 | 21041.00 | 7406.50 | 14785.50 | 14172.50 | |
| N-methylalanine | 126543.50 | 46384.75 | 13763.50 | 7804.75 | 64429.50 | 31122.00 | 88195.00 | 82283.25 | |
| norvaline | 22764.00 | 3891.75 | 368.00 | 1313.00 | 2588.00 | 1490.25 | 8100.00 | 10877.00 | |
| ornithine | 8866.50 | 20154.50 | 134769.00 | 380188.00 | 143470.50 | 354930.00 | 13675.00 | 20334.50 | |
| orotic acid | 65.00 | 88.00 | 359.50 | 296.50 | 4542.50 | 313.75 | 112.00 | 75.50 | |
| oxalic acid | 74.50 | 1091.75 | 867.50 | 412.50 | 2887.00 | 1293.50 | 143.00 | 980.50 | |
| oxoproline | 33664.50 | 74508.50 | 757530.50 | 988650.50 | 734568.50 | 938725.00 | 35600.50 | 69961.50 | |
| palmitic acid | 23469.50 | 18030.25 | 23814.00 | 18138.00 | 201825.50 | 17865.00 | 31495.00 | 24378.25 | |
| pantothenic acid | 2927.50 | 2010.25 | 2668.00 | 2049.50 | 4345.00 | 1094.75 | 2619.50 | 2501.75 | |
| pelargonic acid | 15861.00 | 10499.25 | 6312.50 | 6649.50 | 71133.50 | 7574.00 | 20706.50 | 12150.50 | |
| pentadecanoic acid | 3675.00 | 2356.50 | 2751.00 | 1582.50 | 18007.00 | 2198.00 | 3310.00 | 2761.75 | |
| phenylacetic acid | 7118.50 | 1709.50 | 715.00 | 535.75 | 833.50 | 520.75 | 7613.50 | 3478.00 | |
| phenylalanine | 139072.50 | 118626.25 | 786649.50 | 1188734.50 | 566194.00 | 1578710.75 | 109072.00 | 106496.00 | |
| phenylethylamine | 14083.00 | 4290.50 | 1990.00 | 716.00 | 819.50 | 325.50 | 3234.50 | 8702.00 | |
| phenylpyruvate | 268.50 | 1242.00 | 489.00 | 258.25 | 734.50 | 388.75 | 595.00 | 3057.75 | |
| phosphate | 1262.50 | 3590.25 | 713202.50 | 409162.75 | 629389.50 | 165933.50 | 1158.00 | 1581.00 | |
| phosphoethanolamine | 95.50 | 74.50 | 500.50 | 617.00 | 487.00 | 99.25 | 112.50 | 70.50 | |
| pinitol | 38.00 | 103.75 | 63.00 | 354.75 | 528.50 | 877.25 | 79.50 | 484.50 | |
| pipecolinic acid | 2154.00 | 1270.50 | 136.00 | 133.25 | 1003.50 | 146.25 | 2292.50 | 6716.25 | |
| piperidone | 6797.50 | 3116.75 | 809.00 | 500.50 | 3058.00 | 716.75 | 11628.00 | 11928.00 | |
| proline | 41780.50 | 47439.75 | 2562578.00 | 1719348.50 | 1581111.50 | 2596721.75 | 34712.00 | 57197.50 | |
| propane-1,3-diol NIST | 1590.50 | 1819.50 | 3839.00 | 1567.25 | 8910.00 | 3911.75 | 1730.00 | 2462.25 | |
| pseudo uridine | 4686.50 | 3365.50 | 8318.00 | 9135.25 | 9336.00 | 5021.25 | 2918.50 | 3493.50 | |
| putrescine | 220614.50 | 425540.75 | 1279.00 | 1612.25 | 11235.00 | 79429.50 | 255089.50 | 541672.75 | |
| pyruvic acid | 2008.00 | 2344.00 | 1839.00 | 1235.25 | 10585.00 | 10227.75 | 3608.50 | 4828.50 | |
| quinic acid | 343.00 | 331.50 | 94.50 | 54.25 | 595.50 | 123.00 | 583.00 | 987.00 | |
| ribitol | 1040.50 | 4746.50 | 20636.00 | 24766.25 | 18062.50 | 2159.00 | 1422.00 | 1524.75 | |
| ribonic acid | 336.00 | 736.50 | 1852.50 | 1381.25 | 3004.50 | 603.50 | 405.00 | 874.50 | |
| ribose | 40664.50 | 19517.25 | 38247.00 | 35769.25 | 36110.50 | 4791.75 | 32509.00 | 11981.00 | |
| serine | 22553.50 | 22608.75 | 1226852.50 | 1532113.00 | 380986.50 | 493995.25 | 16968.00 | 18812.00 | |
| sinapinic acid | 314.00 | 354.75 | 57.00 | 60.75 | 604.50 | 45.00 | 551.50 | 450.00 | |
| sorbitol | 3525.50 | 2202.25 | 8648.00 | 3349.75 | 5678.50 | 5469.25 | 2133.50 | 4276.75 | |
| spermidine | 12370.50 | 4152.25 | 873.00 | 1708.75 | 2675.50 | 6780.75 | 10074.50 | 22129.75 | |
| spermine | 1553.50 | 638.75 | 1761.50 | 4039.50 | 3574.50 | 1759.50 | 1391.00 | 1119.00 | |
| stearic acid | 126979.00 | 79953.50 | 133630.00 | 77497.75 | 1192077.00 | 110128.75 | 151963.00 | 117457.00 | |
| succinate semialdehyde | 175.50 | 154.75 | 1117.00 | 1428.00 | 1222.00 | 596.00 | 184.50 | 234.00 | |
| succinic acid | 1980.00 | 361458.50 | 28123.00 | 21516.00 | 57321.50 | 604236.75 | 1363.50 | 98476.00 | |
| sulfuric acid | 323.50 | 1037.25 | 1708.00 | 2348.25 | 3445.00 | 6074.25 | 146.00 | 52.50 | |
| taurine | 60188.50 | 68841.25 | 86263.50 | 80977.00 | 190628.50 | 487117.25 | 40636.50 | 2788.25 | |
| threitol | 89.00 | 447.00 | 1384.50 | 764.50 | 2435.50 | 183.75 | 288.00 | 625.25 | |
| threonic acid | 288.00 | 181.50 | 1141.00 | 522.00 | 6198.50 | 548.25 | 309.00 | 282.25 | |
| threonine | 16635.00 | 27285.25 | 643238.50 | 823736.50 | 331397.00 | 650821.25 | 14982.50 | 24217.75 | |
| thymidine | 3966.00 | 2092.25 | 13560.50 | 21124.75 | 8155.00 | 13296.75 | 2421.00 | 1029.75 | |
| thymine | 12705.00 | 8684.25 | 20599.50 | 28567.75 | 13909.50 | 35783.75 | 10605.00 | 7040.00 | |
| trans-4-hydroxyproline | 456.50 | 654.75 | 270.50 | 290.00 | 1849.00 | 146.75 | 589.00 | 3646.75 | |
| tryptophan | 44920.00 | 86405.75 | 358112.00 | 597166.50 | 431812.00 | 803420.75 | 93064.00 | 96956.25 | |
| tyrosine | 184276.50 | 179456.00 | 1342869.00 | 2016121.25 | 887174.50 | 2186095.25 | 186123.00 | 153107.00 | |
| UDP GlcNAc | 62.50 | 43.00 | 80.50 | 47.00 | 369.50 | 93.50 | 89.50 | 82.00 | |
| UDP-glucuronic acid | 1028.00 | 3071.50 | 3019.50 | 4001.50 | 19350.50 | 4277.50 | 2129.50 | 749.00 | |
| uracil | 43955.50 | 23520.75 | 58368.00 | 25485.50 | 130335.50 | 42810.25 | 54017.00 | 46893.00 | |
| urea | 2219.50 | 1816.50 | 113154.00 | 126586.75 | 28266.50 | 45824.50 | 3428.00 | 2394.00 | |
| uric acid | 2182.00 | 572.00 | 155266.50 | 158316.00 | 551906.50 | 33243.25 | 1387.00 | 935.25 | |
| uridine | 3435.50 | 3345.25 | 8637.00 | 3150.50 | 5564.00 | 1891.25 | 2734.50 | 696.50 | |
| urocanic acid | 781.50 | 619.75 | 1568.00 | 1375.50 | 1123.50 | 667.25 | 761.00 | 337.75 | |
| valine | 166007.50 | 155487.50 | 2131427.00 | 2468293.50 | 1649592.50 | 2870825.75 | 147383.50 | 127986.75 | |
| vanillic acid | 508.00 | 407.50 | 127.00 | 98.75 | 633.00 | 129.25 | 971.50 | 934.25 | |
| xanthine | 13931.50 | 9218.75 | 99052.50 | 84228.75 | 43978.00 | 41652.25 | 9002.00 | 6543.75 | |
| xanthosine | 241.50 | 181.00 | 2191.50 | 2089.50 | 1188.00 | 628.75 | 239.00 | 179.00 | |
| xanthurenic acid | 60.00 | 458.50 | 338.50 | 210.50 | 654.00 | 606.25 | 100.00 | 236.75 | |
| xylitol | 253.00 | 637.75 | 28332.50 | 12097.00 | 25839.00 | 2598.00 | 222.50 | 612.00 | |
| xylonolactone NIST | 1604.00 | 1333.75 | 111.00 | 1628.75 | 1796.50 | 1403.00 | 2886.00 | 1412.00 | |
| xylose | 37516.00 | 36226.00 | 4144.50 | 3230.75 | 11277.00 | 5422.00 | 49968.50 | 46656.00 | |
| xylulose NIST | 3342.00 | 2921.25 | 5883.00 | 6710.50 | 17572.00 | 2430.75 | 2900.00 | 1862.50 |
Factors:
| F1 | Organ:colon | Sex:Female |
| F2 | Organ:colon | Sex:Male |
| F3 | Organ:duod | Sex:Female |
| F4 | Organ:duod | Sex:Male |
| F5 | Organ:ileum | Sex:Female |
| F6 | Organ:ileum | Sex:Male |
| F7 | Organ:rectum | Sex:Female |
| F8 | Organ:rectum | Sex:Male |
