Data for ST001088
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,2,4-benzenetriol | 639.25 | 972.00 | 647.25 | 494.00 | 526.60 | 458.75 | 564.00 | 437.00 | 524.67 | 572.67 | 578.33 | 375.00 | 600.00 | 734.00 | 496.00 | 796.75 | |
| 1-kestose | 672.00 | 355.50 | 447.25 | 1075.00 | 227.20 | 345.25 | 354.00 | 481.67 | 652.00 | 882.50 | 671.00 | 231.75 | 352.67 | 909.67 | 327.00 | 666.50 | |
| 2,3-dihydroxybutanoic acid NIST | 1067.25 | 818.50 | 582.25 | 647.00 | 614.60 | 704.00 | 834.00 | 628.17 | 839.00 | 1163.67 | 1006.67 | 591.25 | 1183.67 | 959.00 | 629.00 | 1265.25 | |
| 2,5-dihydroxypyrazine NIST | 15300.25 | 12247.00 | 12720.50 | 10255.00 | 14319.00 | 14984.75 | 15919.14 | 12104.17 | 24894.67 | 20825.83 | 26612.33 | 11172.25 | 17302.67 | 18627.67 | 14268.00 | 17373.50 | |
| 2,6-diaminopimelic acid | 1391.25 | 2492.50 | 2142.75 | 1521.00 | 994.20 | 1625.75 | 1643.00 | 929.17 | 713.00 | 1787.50 | 1555.33 | 1319.50 | 2286.00 | 941.67 | 2000.00 | 1195.50 | |
| 2-aminobutyric acid | 61283.25 | 67167.50 | 77098.50 | 97509.00 | 57133.80 | 74623.25 | 71242.14 | 92420.33 | 102324.00 | 83931.67 | 59733.00 | 44925.00 | 46380.33 | 75792.67 | 53059.00 | 59007.00 | |
| 2^-deoxyguanosine | 1465.75 | 1492.50 | 1615.25 | 790.00 | 1020.80 | 840.00 | 1320.86 | 879.67 | 895.33 | 1166.67 | 1414.67 | 1122.00 | 1297.33 | 1023.00 | 1530.00 | 1363.75 | |
| 2-hydroxyglutaric acid | 8672.00 | 12698.00 | 11209.75 | 6996.00 | 7716.40 | 7100.25 | 8132.86 | 10310.67 | 13826.33 | 18790.33 | 10087.00 | 8373.00 | 7356.33 | 8411.67 | 6409.00 | 9881.00 | |
| 2-picolinic acid | 223256.00 | 181689.00 | 229343.25 | 176271.00 | 144648.60 | 148955.75 | 211117.43 | 153793.17 | 211785.33 | 263840.00 | 205314.67 | 209533.00 | 397410.00 | 172021.33 | 219105.00 | 268114.50 | |
| 3-aminoisobutyric acid | 4916.00 | 4828.50 | 4474.00 | 6323.00 | 4494.80 | 3638.25 | 4669.71 | 5182.17 | 4400.00 | 4666.50 | 4263.67 | 4142.00 | 4354.67 | 4560.00 | 4377.00 | 5620.50 | |
| 3-arylcarbonyl-alanine NIST | 1255.50 | 1025.00 | 1297.50 | 1062.00 | 783.60 | 1039.25 | 1854.57 | 988.00 | 1265.33 | 1403.17 | 1552.67 | 1905.25 | 1136.00 | 1040.00 | 1249.00 | 2005.25 | |
| 3-hydroxybutyric acid | 2078.00 | 2802.00 | 892.00 | 286.00 | 2217.00 | 1358.00 | 1067.14 | 1105.67 | 1883.67 | 1427.17 | 1772.00 | 1025.75 | 1075.67 | 566.33 | 1602.00 | 2614.25 | |
| 3-phosphoglycerate | 1543.75 | 1282.00 | 1619.50 | 1011.00 | 823.80 | 1179.00 | 938.43 | 1367.50 | 1202.67 | 1596.00 | 1754.33 | 1219.50 | 2593.00 | 1668.00 | 1718.00 | 2733.75 | |
| 4-aminobutyric acid | 20777.00 | 20033.00 | 20101.00 | 8774.00 | 13704.60 | 18095.50 | 15991.14 | 16018.17 | 19620.33 | 22409.67 | 20286.33 | 19130.75 | 23944.33 | 18508.00 | 12661.00 | 23789.25 | |
| 4-hydroxybutyric acid | 4979.75 | 7024.50 | 5058.50 | 2548.00 | 4004.20 | 3500.25 | 4345.14 | 3085.67 | 3303.00 | 4271.83 | 5242.33 | 3949.50 | 6368.67 | 4730.67 | 5359.00 | 6614.00 | |
| 5^-deoxy-5^-methylthioadenosine | 348.25 | 306.00 | 363.50 | 313.00 | 282.60 | 246.00 | 358.86 | 268.33 | 311.33 | 374.00 | 451.67 | 284.25 | 346.67 | 294.33 | 390.00 | 517.00 | |
| 5-hydroxynorvaline NIST | 2490.50 | 2687.00 | 2587.25 | 2348.00 | 2087.20 | 2091.00 | 2260.14 | 1969.00 | 2764.33 | 2932.67 | 2874.33 | 2252.00 | 3143.00 | 2291.33 | 1979.00 | 3273.50 | |
| 5-methoxytryptamine | 1685.75 | 1536.50 | 2680.50 | 1466.00 | 1753.40 | 1236.50 | 2645.29 | 951.83 | 1114.00 | 1619.17 | 1670.00 | 1442.25 | 4024.00 | 1502.33 | 3415.00 | 1771.00 | |
| adenine | 2772.50 | 3243.00 | 2925.75 | 2107.00 | 1966.20 | 2046.75 | 3169.43 | 1737.50 | 3460.33 | 3401.50 | 3611.67 | 2201.25 | 3762.00 | 2753.00 | 2199.00 | 3839.50 | |
| adenosine | 9927.25 | 18566.50 | 9911.25 | 6693.00 | 6646.20 | 4567.75 | 8609.14 | 6491.83 | 9611.67 | 7364.33 | 7104.00 | 4327.75 | 5552.33 | 7324.33 | 7479.00 | 7854.00 | |
| adenosine-5-monophosphate | 21362.50 | 15020.00 | 27107.75 | 24767.00 | 17377.40 | 15043.25 | 17314.14 | 17190.17 | 16769.67 | 21163.83 | 29345.33 | 17654.75 | 19335.33 | 24418.00 | 27965.00 | 23333.25 | |
| alanine | 2350166.00 | 2153624.50 | 2310855.75 | 2433660.00 | 2035876.40 | 1166836.25 | 1456011.14 | 2128964.50 | 2408162.00 | 1780729.17 | 2221043.33 | 1792785.50 | 2291883.00 | 1652789.33 | 1728935.00 | 2400364.00 | |
| alpha-aminoadipic acid | 16537.50 | 13032.50 | 19029.25 | 8643.00 | 27182.40 | 32359.50 | 25570.00 | 33258.67 | 19621.00 | 19980.33 | 22688.67 | 32132.75 | 12469.00 | 15587.67 | 36759.00 | 16378.00 | |
| alpha-ketoglutarate | 474.50 | 437.00 | 321.25 | 121.00 | 453.00 | 491.50 | 295.86 | 549.17 | 560.67 | 665.33 | 592.67 | 435.25 | 340.00 | 518.00 | 274.00 | 512.25 | |
| aminomalonate | 766823.00 | 636353.50 | 613906.25 | 499753.00 | 527392.00 | 540160.50 | 678201.14 | 444049.00 | 798736.33 | 884624.33 | 828038.67 | 545303.75 | 813155.67 | 670549.67 | 705032.00 | 884315.00 | |
| arachidic acid | 3432.50 | 3447.00 | 2466.25 | 2653.00 | 2550.20 | 2299.75 | 2468.43 | 2001.83 | 3293.00 | 3467.00 | 3546.00 | 1299.25 | 10427.33 | 3934.33 | 2311.00 | 3649.25 | |
| asparagine | 84441.25 | 112294.00 | 85080.00 | 65385.00 | 114416.20 | 85287.75 | 57859.57 | 79384.00 | 63872.00 | 66638.00 | 42594.67 | 69986.75 | 56632.00 | 84396.00 | 105607.00 | 66382.75 | |
| aspartic acid | 907113.50 | 820819.00 | 742960.00 | 615408.00 | 724021.40 | 636203.75 | 577580.00 | 561216.50 | 835574.67 | 769576.33 | 851985.00 | 658146.75 | 1095964.00 | 837113.67 | 731482.00 | 979761.50 | |
| benzoic acid | 2848.50 | 3182.50 | 2516.50 | 1917.00 | 1658.20 | 2058.00 | 2438.57 | 1912.17 | 3205.67 | 3014.00 | 3706.33 | 2167.75 | 3658.33 | 2550.67 | 1278.00 | 3723.25 | |
| beta-alanine | 21616.25 | 24170.00 | 20728.25 | 10707.00 | 12301.40 | 11611.75 | 18830.71 | 12778.67 | 19592.00 | 19622.00 | 24626.00 | 14721.75 | 27244.33 | 18624.33 | 15583.00 | 26023.00 | |
| beta-glutamic acid | 11503.75 | 21998.50 | 18419.75 | 16292.00 | 15200.00 | 17022.50 | 8933.29 | 10214.67 | 15974.33 | 10950.17 | 13347.67 | 7911.00 | 15287.67 | 16242.33 | 6342.00 | 12206.50 | |
| butyrolactam NIST | 6338.00 | 6584.50 | 8198.25 | 7094.00 | 10529.60 | 3811.75 | 8085.00 | 4022.67 | 5093.67 | 5301.67 | 5809.67 | 4302.50 | 20085.00 | 6668.00 | 4245.00 | 6502.00 | |
| cellobiose | 1193.25 | 943.00 | 1264.75 | 917.00 | 685.40 | 1095.75 | 1133.71 | 1337.33 | 622.33 | 3428.50 | 1645.33 | 840.50 | 875.33 | 1769.00 | 1054.00 | 1414.50 | |
| cholesterol | 3870.50 | 1666.50 | 3642.25 | 6859.00 | 2391.60 | 1761.25 | 4638.86 | 4777.83 | 4386.33 | 2605.83 | 4592.00 | 3027.00 | 3982.67 | 5652.67 | 4509.00 | 3990.50 | |
| citric acid | 4698.00 | 5963.50 | 7068.25 | 5887.00 | 8929.00 | 5092.50 | 16338.00 | 16033.00 | 11767.67 | 7129.33 | 10227.33 | 9470.75 | 6143.00 | 5494.67 | 5054.00 | 6868.75 | |
| citrulline | 97269.00 | 92366.00 | 90930.75 | 86755.00 | 57499.80 | 66802.50 | 66809.43 | 70606.83 | 90176.00 | 92741.00 | 82856.67 | 73227.75 | 129139.33 | 85518.00 | 60690.00 | 106509.75 | |
| conduritol-beta-epoxide minor | 2670.75 | 3638.00 | 2459.00 | 3060.00 | 2731.20 | 1634.25 | 5453.29 | 2101.67 | 2933.33 | 3309.83 | 2940.00 | 2317.00 | 3791.00 | 2169.33 | 2307.00 | 3159.00 | |
| cystathionine nist | 101686.25 | 223734.00 | 199399.50 | 148318.00 | 150178.80 | 232842.25 | 215372.86 | 154605.67 | 234229.33 | 357050.17 | 230298.00 | 128854.00 | 115749.00 | 280494.00 | 418846.00 | 267031.25 | |
| cysteine | 18754.25 | 14750.00 | 29287.75 | 23011.00 | 31117.00 | 13510.75 | 35709.29 | 14418.67 | 16594.33 | 20433.50 | 23380.67 | 15070.00 | 46258.00 | 20551.00 | 34803.00 | 20420.75 | |
| cysteine-glycine | 1401.50 | 856.50 | 1114.25 | 1043.00 | 993.40 | 781.00 | 952.29 | 835.67 | 929.33 | 849.17 | 1233.33 | 1092.75 | 1059.00 | 804.33 | 1734.00 | 1302.25 | |
| cystine | 20461.00 | 21955.00 | 25130.75 | 19900.00 | 21158.60 | 12166.25 | 31773.86 | 13778.33 | 7538.33 | 14804.83 | 16563.00 | 16588.75 | 32623.33 | 16603.67 | 37843.00 | 18416.00 | |
| dihydroxyacetone | 2846.25 | 1039.00 | 3193.75 | 1459.00 | 563.20 | 741.00 | 932.57 | 545.83 | 2245.33 | 1013.33 | 1566.33 | 2079.50 | 1183.67 | 665.00 | 649.00 | 1550.25 | |
| dodecanol | 807.25 | 852.00 | 733.50 | 607.00 | 556.40 | 550.75 | 655.29 | 461.50 | 527.33 | 704.67 | 757.00 | 569.75 | 661.00 | 738.67 | 770.00 | 907.00 | |
| enolpyruvate NIST | 845.50 | 748.50 | 674.00 | 602.00 | 412.40 | 520.25 | 622.29 | 507.33 | 743.33 | 799.83 | 905.33 | 671.25 | 1155.33 | 472.67 | 501.00 | 904.00 | |
| ethanolamine | 388965.75 | 303838.00 | 342877.00 | 187156.00 | 269232.80 | 252343.00 | 377475.43 | 243278.00 | 390253.67 | 439275.17 | 440829.67 | 250847.50 | 358670.00 | 318376.00 | 344058.00 | 325237.25 | |
| fructose | 378.00 | 403.00 | 539.00 | 227.00 | 195.20 | 191.75 | 358.71 | 247.00 | 295.67 | 352.67 | 414.00 | 250.00 | 430.33 | 319.33 | 278.00 | 462.75 | |
| fructose-6-phosphate | 1399.00 | 1262.50 | 1952.75 | 1089.00 | 934.00 | 1134.00 | 1496.14 | 1293.17 | 2300.33 | 1859.00 | 2201.67 | 1170.25 | 2202.00 | 1557.00 | 1469.00 | 2701.00 | |
| fumaric acid | 3193.75 | 3277.50 | 3427.75 | 1879.00 | 2652.60 | 2248.00 | 2550.14 | 2329.67 | 2089.67 | 2782.50 | 3057.33 | 2514.75 | 2785.67 | 3477.33 | 2936.00 | 2997.00 | |
| galactinol | 535.50 | 639.00 | 650.50 | 251.00 | 300.20 | 292.00 | 461.00 | 461.83 | 297.00 | 462.33 | 525.00 | 525.00 | 873.67 | 520.67 | 494.00 | 680.75 | |
| gluconic acid | 534.75 | 390.50 | 535.50 | 513.00 | 269.20 | 287.25 | 272.00 | 257.00 | 336.00 | 317.67 | 338.00 | 292.00 | 502.33 | 313.67 | 298.00 | 604.00 | |
| glucose-1-phosphate | 3382.50 | 3605.00 | 3308.75 | 1970.00 | 1443.60 | 1820.25 | 2611.29 | 2292.00 | 2841.00 | 3344.00 | 3481.33 | 2664.75 | 4179.67 | 2785.00 | 900.00 | 4496.50 | |
| glucose 2 | 88739.50 | 84866.00 | 120744.00 | 74292.00 | 44239.60 | 35717.25 | 62203.71 | 63855.00 | 80753.33 | 87063.33 | 84454.67 | 69187.75 | 54408.33 | 71020.33 | 75420.00 | 78689.50 | |
| glucose-6-phosphate | 2313.75 | 2689.00 | 2973.50 | 1486.00 | 1259.60 | 1858.00 | 2744.14 | 2177.83 | 2939.67 | 3093.00 | 3365.67 | 2102.00 | 3096.33 | 2312.00 | 2109.00 | 3763.50 | |
| glutamic acid | 1005364.75 | 937531.50 | 931097.25 | 578887.00 | 969697.00 | 1183386.75 | 682223.29 | 1040783.33 | 852731.33 | 1070830.33 | 711705.33 | 1057758.00 | 686614.67 | 906612.67 | 857750.00 | 930247.25 | |
| glutamine | 100226.75 | 120693.50 | 114267.75 | 83644.00 | 99612.40 | 90169.75 | 60702.14 | 102076.67 | 90296.33 | 77476.50 | 66252.00 | 89563.25 | 73286.67 | 100813.00 | 120390.00 | 76410.00 | |
| glutaric acid | 230.50 | 287.00 | 344.00 | 261.00 | 272.80 | 249.00 | 405.71 | 259.50 | 275.67 | 264.17 | 281.33 | 326.25 | 342.00 | 242.00 | 325.00 | 317.00 | |
| glyceric acid | 10122.25 | 8863.50 | 9657.50 | 7008.00 | 6487.20 | 5258.75 | 6981.14 | 5730.67 | 7733.00 | 7657.17 | 8623.67 | 5744.75 | 8650.00 | 5256.00 | 4346.00 | 8579.75 | |
| glycerol | 48168.00 | 44973.00 | 45852.25 | 39919.00 | 28951.80 | 26892.00 | 38035.29 | 28980.50 | 37714.67 | 38321.83 | 37238.67 | 28199.75 | 40397.00 | 34019.67 | 30876.00 | 42109.75 | |
| glycerol-3-galactoside | 1176.75 | 1073.00 | 1472.75 | 738.00 | 689.20 | 703.75 | 1200.00 | 854.33 | 967.67 | 1178.67 | 1350.67 | 963.25 | 1166.00 | 889.00 | 619.00 | 1295.00 | |
| glycerol-alpha-phosphate | 21069.25 | 15026.00 | 20053.25 | 16585.00 | 9314.00 | 11811.75 | 12328.71 | 15344.83 | 15581.00 | 18180.17 | 18334.67 | 23758.75 | 28326.67 | 19334.67 | 20733.00 | 26996.50 | |
| glycine | 3044703.75 | 1552872.50 | 3145877.00 | 8109068.00 | 1869122.60 | 2061599.75 | 2951937.43 | 1901700.00 | 4452153.33 | 2319964.50 | 3927253.00 | 1935799.25 | 4958362.67 | 2934323.00 | 2313403.00 | 3492258.50 | |
| glycolic acid | 1903.50 | 2103.00 | 1905.25 | 1077.00 | 1727.60 | 1183.25 | 1431.43 | 1175.67 | 1307.33 | 1362.50 | 2088.67 | 1211.75 | 2212.00 | 2287.67 | 1597.00 | 1886.25 | |
| glycyl-proline | 5494.00 | 10146.50 | 5793.25 | 4444.00 | 8260.60 | 3521.75 | 7021.29 | 3979.33 | 6279.33 | 5226.33 | 5681.33 | 5199.25 | 8825.33 | 3733.67 | 8082.00 | 5360.50 | |
| glycyl tyrosine | 1449.75 | 2135.50 | 1545.00 | 2764.00 | 1615.20 | 1305.25 | 1562.00 | 1226.83 | 2146.67 | 1719.17 | 1929.33 | 1957.75 | 2156.67 | 1723.67 | 1220.00 | 1942.50 | |
| guanine | 15461.00 | 16466.50 | 15752.00 | 12034.00 | 6998.00 | 9166.50 | 10351.86 | 10394.17 | 13314.00 | 14960.83 | 15571.67 | 10503.25 | 25074.67 | 14001.00 | 11944.00 | 20162.00 | |
| guanosine | 6026.25 | 6894.00 | 7089.75 | 4701.00 | 3689.80 | 3889.50 | 6301.43 | 4135.50 | 5576.33 | 5853.83 | 6917.67 | 4652.25 | 6565.00 | 5152.00 | 4987.00 | 6116.25 | |
| heptadecanoic acid | 1979.25 | 2200.50 | 1992.00 | 3127.00 | 1629.60 | 1515.50 | 2562.86 | 1559.50 | 2555.33 | 2112.33 | 2812.33 | 1225.00 | 2573.33 | 2220.67 | 2392.00 | 2980.50 | |
| hexadecane | 37135.50 | 37802.50 | 28433.75 | 49648.00 | 17325.20 | 19306.75 | 33739.86 | 30956.67 | 20603.33 | 45858.50 | 51492.00 | 21451.00 | 38946.33 | 38043.67 | 15044.00 | 35728.25 | |
| hexitol | 1015.50 | 6770.00 | 1536.50 | 2946.00 | 2233.40 | 1687.00 | 5336.57 | 2784.33 | 2620.33 | 2674.33 | 1582.00 | 1363.25 | 4814.00 | 3365.33 | 2266.00 | 2891.75 | |
| hexose-6-phosphate | 1228.00 | 1368.50 | 1473.50 | 757.00 | 730.40 | 950.00 | 1289.71 | 1003.50 | 1388.00 | 1573.00 | 1666.00 | 1022.25 | 1653.33 | 1279.33 | 1008.00 | 2027.75 | |
| hexuronic acid | 1074.50 | 693.50 | 852.25 | 832.00 | 13481.40 | 720.50 | 882.57 | 791.83 | 803.00 | 1029.17 | 1153.33 | 747.25 | 1142.67 | 755.33 | 395.00 | 1035.75 | |
| histidine | 246352.50 | 186978.50 | 262910.00 | 121870.00 | 253634.80 | 244126.75 | 243072.29 | 207728.50 | 197870.00 | 207314.83 | 336630.33 | 205101.50 | 307386.33 | 184486.67 | 455749.00 | 203969.75 | |
| homocystine | 861.75 | 1803.00 | 1134.75 | 1447.00 | 996.20 | 1109.75 | 1299.86 | 1127.83 | 833.00 | 1554.67 | 1454.33 | 1671.75 | 2019.00 | 1221.33 | 967.00 | 2436.75 | |
| homoserine | 874.75 | 705.00 | 935.00 | 1057.00 | 814.40 | 595.75 | 1651.14 | 714.00 | 1033.00 | 998.83 | 1302.33 | 591.00 | 1035.67 | 963.33 | 1045.00 | 1063.00 | |
| hydroxycarbamate NIST | 16290.25 | 22728.00 | 16489.50 | 10662.00 | 14106.20 | 11725.25 | 16046.29 | 10771.50 | 12829.00 | 16166.17 | 20358.33 | 12539.25 | 21001.33 | 11570.67 | 17528.00 | 26839.25 | |
| hydroxylamine | 172740.00 | 194843.00 | 163318.00 | 100861.00 | 101717.60 | 96821.75 | 153080.71 | 97896.00 | 156414.67 | 144526.00 | 211409.00 | 117198.25 | 192533.00 | 149388.00 | 135008.00 | 220040.25 | |
| hypoxanthine | 32018.50 | 37688.50 | 31893.75 | 22896.00 | 15473.00 | 19399.25 | 19662.43 | 17549.17 | 24735.00 | 25908.17 | 27618.33 | 17408.75 | 39037.33 | 26548.67 | 20641.00 | 29255.25 | |
| inosine | 58934.50 | 62311.00 | 64429.50 | 45617.00 | 31295.40 | 32009.50 | 61690.00 | 34496.00 | 66107.00 | 55224.83 | 70991.33 | 40779.50 | 49164.33 | 36038.00 | 40943.00 | 50341.50 | |
| inositol-4-monophosphate | 440.25 | 438.50 | 405.25 | 194.00 | 221.80 | 325.50 | 426.43 | 363.50 | 387.67 | 489.33 | 454.67 | 543.50 | 557.67 | 438.00 | 483.00 | 609.00 | |
| isoleucine | 326602.75 | 321485.50 | 590307.25 | 222273.00 | 1551658.20 | 1127807.25 | 1148973.57 | 1088495.83 | 392122.67 | 490203.83 | 340805.33 | 1070430.50 | 229112.67 | 509343.00 | 1006335.00 | 366995.25 | |
| isomaltose | 2098.50 | 3012.00 | 3593.50 | 1371.00 | 1213.20 | 835.50 | 2208.86 | 2045.17 | 1517.67 | 1864.83 | 1801.33 | 2794.00 | 1579.67 | 1551.67 | 1839.00 | 1840.00 | |
| isothreonic acid | 1377.50 | 1160.00 | 1300.75 | 1345.00 | 999.80 | 1016.75 | 1265.00 | 1090.00 | 1094.67 | 1405.50 | 1285.67 | 1012.75 | 2269.33 | 1324.33 | 963.00 | 1623.00 | |
| isoxanthopterin | 604.00 | 622.50 | 680.75 | 429.00 | 364.80 | 357.00 | 552.14 | 468.50 | 562.00 | 529.00 | 759.00 | 415.50 | 1009.00 | 663.33 | 585.00 | 644.75 | |
| lactic acid | 7141.25 | 8013.00 | 7773.00 | 8612.00 | 5518.80 | 4999.00 | 7045.43 | 6435.67 | 15017.33 | 15997.50 | 10343.00 | 7815.25 | 11259.67 | 7100.33 | 7876.00 | 12279.75 | |
| lactitol | 651.00 | 649.00 | 976.25 | 233.00 | 366.20 | 402.50 | 682.43 | 369.83 | 459.00 | 734.83 | 575.67 | 432.75 | 522.00 | 914.67 | 1162.00 | 769.75 | |
| lactose | 1643.00 | 301.00 | 854.75 | 972.00 | 456.00 | 552.00 | 662.43 | 765.33 | 530.67 | 2235.67 | 831.00 | 619.25 | 696.00 | 1887.00 | 1016.00 | 757.50 | |
| lauric acid | 2060.00 | 1661.50 | 1477.75 | 1635.00 | 926.00 | 1348.75 | 1756.86 | 1316.67 | 1849.67 | 2212.00 | 1508.33 | 1468.50 | 2127.67 | 1383.00 | 1793.00 | 2058.50 | |
| leucine | 963610.50 | 1021140.50 | 1299456.50 | 737293.00 | 2549090.80 | 1973376.50 | 2066646.29 | 1782627.83 | 1037129.67 | 1187483.17 | 994957.33 | 1959561.25 | 834733.67 | 1060933.67 | 1659824.00 | 893057.75 | |
| lysine | 705103.00 | 759770.50 | 644824.75 | 332338.00 | 896381.60 | 854841.75 | 445556.00 | 1137313.00 | 757107.67 | 744621.00 | 790459.67 | 1317301.75 | 346040.67 | 505287.33 | 382126.00 | 702431.00 | |
| maleic acid | 5492.00 | 7785.00 | 4046.00 | 3190.00 | 5732.60 | 4204.00 | 3822.57 | 4409.00 | 3932.33 | 5265.83 | 4826.67 | 4108.50 | 4849.67 | 5671.00 | 4199.00 | 5180.25 | |
| maleimide | 25354.00 | 17251.00 | 25224.75 | 21306.00 | 12949.60 | 13160.50 | 19342.00 | 17334.33 | 19815.33 | 19170.17 | 24094.00 | 19175.25 | 24687.67 | 16318.67 | 14850.00 | 21578.00 | |
| malic acid | 23864.25 | 18786.00 | 22959.75 | 20994.00 | 17306.00 | 18173.50 | 16876.86 | 21275.67 | 21936.33 | 24636.50 | 22065.33 | 20783.25 | 23196.33 | 20268.00 | 20107.00 | 24856.25 | |
| maltose 1 | 182738.00 | 139175.50 | 175732.25 | 148540.00 | 80675.00 | 133792.75 | 171162.29 | 184126.17 | 110221.00 | 233041.50 | 150108.67 | 179260.00 | 75586.67 | 226472.67 | 168889.00 | 174340.75 | |
| maltotriitol | 320.75 | 426.00 | 472.00 | 355.00 | 207.20 | 189.75 | 328.57 | 343.67 | 320.67 | 382.83 | 337.33 | 260.25 | 287.00 | 420.00 | 312.00 | 349.00 | |
| maltotriose | 42848.50 | 19065.50 | 33548.75 | 18322.00 | 16113.80 | 37078.75 | 27379.29 | 37521.50 | 21740.00 | 53071.67 | 27541.00 | 25607.25 | 15395.00 | 71632.33 | 34089.00 | 41735.00 | |
| mannose | 1828.50 | 1444.50 | 4861.75 | 2224.00 | 1683.20 | 1098.75 | 2219.00 | 1872.33 | 2333.33 | 2743.67 | 2935.33 | 1318.25 | 2126.00 | 1118.00 | 2036.00 | 2400.75 | |
| melezitose | 469.00 | 352.50 | 259.50 | 160.00 | 168.20 | 295.00 | 311.43 | 357.83 | 309.67 | 394.50 | 287.67 | 276.00 | 261.33 | 506.33 | 259.00 | 386.25 | |
| methanolphosphate | 106159.75 | 98323.00 | 88903.25 | 78906.00 | 63666.60 | 42178.50 | 68191.71 | 45967.00 | 73853.33 | 85672.17 | 82681.00 | 31060.75 | 102699.33 | 73954.00 | 56272.00 | 109573.50 | |
| methionine | 1300469.75 | 614242.00 | 1402075.50 | 1423309.00 | 1944428.20 | 2550513.50 | 2602837.57 | 2386495.50 | 2114042.33 | 3205822.17 | 2495551.33 | 1639660.75 | 1683415.00 | 2056931.67 | 2595118.00 | 1774581.00 | |
| methionine sulfoxide | 166157.50 | 192508.00 | 289600.00 | 195701.00 | 213545.40 | 175709.75 | 280162.86 | 170462.83 | 163987.67 | 227072.17 | 173910.67 | 168133.75 | 369088.00 | 174363.00 | 169155.00 | 213143.00 | |
| methyl O-D-galactopyranoside | 2051.25 | 1960.00 | 1871.25 | 1765.00 | 1226.40 | 1320.75 | 1588.43 | 1465.33 | 1405.33 | 1845.33 | 1988.67 | 1590.75 | 2334.33 | 2268.00 | 1780.00 | 2126.75 | |
| myo-inositol | 60865.00 | 61512.50 | 53280.25 | 37780.00 | 27341.60 | 25610.25 | 41873.29 | 33783.67 | 53252.00 | 54266.67 | 60094.00 | 41428.75 | 75894.67 | 44223.67 | 32236.00 | 68176.75 | |
| myristic acid | 1038.25 | 1252.00 | 1083.25 | 1027.00 | 723.00 | 801.25 | 1136.43 | 780.00 | 1343.00 | 1211.50 | 1407.00 | 761.75 | 1548.33 | 883.00 | 951.00 | 1409.25 | |
| N-acetylaspartic acid | 536.75 | 1252.00 | 1304.00 | 1150.00 | 1734.80 | 1799.25 | 1796.43 | 1674.33 | 1842.33 | 2279.67 | 2341.33 | 1980.00 | 1806.33 | 520.67 | 2584.00 | 1449.00 | |
| N-acetyl-D-galactosamine | 1004.50 | 1243.50 | 772.75 | 2611.00 | 385.60 | 194.75 | 1179.29 | 996.83 | 431.67 | 1056.17 | 554.67 | 1390.25 | 2205.33 | 834.00 | 2070.00 | 1017.00 | |
| N-carbamoylaspartate | 2808.50 | 2922.00 | 3396.00 | 2720.00 | 2491.60 | 2186.50 | 3278.71 | 2250.00 | 4612.67 | 3191.33 | 4859.33 | 2614.75 | 4048.33 | 2853.67 | 1909.00 | 4780.75 | |
| n-epsilon-trimethyllysine | 1135.75 | 1368.50 | 1186.00 | 1166.00 | 1200.80 | 1098.00 | 1126.00 | 1202.33 | 1262.67 | 1220.33 | 1235.00 | 1300.00 | 1967.33 | 1128.33 | 831.00 | 1539.00 | |
| nicotinamide | 2821.50 | 4680.50 | 1623.25 | 1571.00 | 1494.00 | 2558.75 | 2187.43 | 2372.33 | 2311.33 | 4107.67 | 2987.00 | 1699.75 | 3932.00 | 2736.33 | 4230.00 | 5015.00 | |
| nicotinic acid | 31088.25 | 43657.00 | 29577.00 | 28441.00 | 27681.60 | 25051.25 | 28205.14 | 27753.33 | 29884.00 | 42412.00 | 28598.00 | 24828.75 | 43942.67 | 40879.00 | 29111.00 | 38697.75 | |
| O-acetylserine | 4453.75 | 2578.00 | 3405.00 | 3011.00 | 2220.00 | 3311.50 | 2777.57 | 3544.17 | 3961.33 | 3916.33 | 4553.00 | 2775.50 | 6234.00 | 3300.33 | 3688.00 | 4513.00 | |
| oleic acid | 1621.50 | 1944.00 | 1536.00 | 1376.00 | 980.40 | 999.75 | 1379.14 | 1011.00 | 1641.00 | 1555.17 | 1851.33 | 1197.00 | 1891.00 | 1153.33 | 1317.00 | 1980.00 | |
| ornithine 3TMS | 3135101.00 | 2673232.00 | 2600135.50 | 2415505.00 | 1347235.60 | 1682596.75 | 1379605.71 | 1631469.50 | 2199993.00 | 2370745.50 | 2043990.67 | 1895416.75 | 2936330.00 | 2290642.00 | 1541836.00 | 2564044.00 | |
| orotic acid | 14844.25 | 2855.50 | 15378.25 | 4519.00 | 5244.20 | 5969.00 | 8853.86 | 7628.83 | 6775.33 | 6152.33 | 10639.33 | 10712.75 | 11564.00 | 3275.67 | 12242.00 | 6649.25 | |
| oxamic acid | 3338.00 | 1966.00 | 3515.25 | 1697.00 | 1786.00 | 1907.50 | 2537.43 | 2070.00 | 2094.33 | 2842.50 | 3094.67 | 2927.75 | 3436.33 | 2258.33 | 3585.00 | 2953.25 | |
| oxoproline | 1898273.75 | 1886162.50 | 1832329.25 | 1497954.00 | 1401358.20 | 1785831.50 | 1292407.14 | 1585425.83 | 1678456.33 | 1683579.67 | 1454938.33 | 1733270.25 | 1396357.33 | 1726284.00 | 1974013.00 | 1971295.00 | |
| palatinitol | 593.75 | 627.00 | 510.25 | 585.00 | 286.80 | 264.00 | 528.57 | 297.00 | 309.33 | 553.00 | 459.67 | 414.00 | 511.33 | 594.00 | 633.00 | 509.25 | |
| palmitic acid | 62196.25 | 62291.50 | 55852.25 | 54020.00 | 37087.20 | 43483.75 | 61232.43 | 42339.00 | 81189.33 | 68447.33 | 72962.67 | 40118.25 | 94037.33 | 52049.33 | 43808.00 | 73017.50 | |
| pantothenic acid | 2149.75 | 1371.50 | 1353.25 | 1118.00 | 1453.40 | 1652.75 | 1217.29 | 1531.17 | 2117.67 | 2436.67 | 2680.33 | 1762.00 | 3742.67 | 1237.33 | 1187.00 | 2624.00 | |
| pelargonic acid | 5030.50 | 4652.50 | 4681.75 | 3199.00 | 3219.40 | 3097.50 | 4533.14 | 3578.00 | 5638.00 | 5780.00 | 6086.00 | 3360.75 | 6399.67 | 4422.00 | 3061.00 | 8266.50 | |
| phenylalanine | 360191.75 | 354325.50 | 584054.50 | 234089.00 | 1045492.40 | 1092592.00 | 857938.29 | 803614.00 | 357570.00 | 593052.83 | 348667.33 | 1037748.00 | 282399.00 | 620540.67 | 871480.00 | 408437.00 | |
| phenylethylamine | 85062.25 | 49222.00 | 76983.00 | 86165.00 | 38276.60 | 45240.50 | 61126.71 | 62322.00 | 61382.67 | 64459.00 | 63496.67 | 65212.75 | 71745.67 | 95949.33 | 69364.00 | 74175.50 | |
| phosphate | 19215.25 | 17598.00 | 17669.25 | 11391.00 | 8541.20 | 12066.50 | 12943.29 | 12524.00 | 15671.33 | 22750.83 | 19172.00 | 13546.50 | 20811.00 | 19891.33 | 15896.00 | 21197.00 | |
| phosphoethanolamine | 4953.00 | 6207.50 | 5688.75 | 2226.00 | 4292.20 | 7690.00 | 6432.57 | 4866.00 | 6210.33 | 16288.83 | 10136.00 | 7161.75 | 8461.67 | 11227.33 | 22217.00 | 7780.00 | |
| pipecolinic acid | 2694.25 | 2324.50 | 6006.00 | 8150.00 | 14904.20 | 2916.75 | 19297.86 | 3475.50 | 2585.00 | 3230.33 | 3210.67 | 1356.00 | 10042.00 | 2391.67 | 8315.00 | 2556.50 | |
| piperidone | 4491.00 | 9937.00 | 15039.75 | 16445.00 | 34704.40 | 558.25 | 46692.71 | 1311.67 | 537.33 | 1451.00 | 749.00 | 815.25 | 68911.33 | 2344.33 | 2274.00 | 1185.00 | |
| proline | 2691844.00 | 4218890.00 | 2064259.50 | 2536355.00 | 2772211.00 | 1879922.00 | 1911730.00 | 2800718.17 | 1583726.67 | 1277790.50 | 1809499.33 | 1873110.50 | 686759.00 | 3408488.00 | 1099444.00 | 1416721.25 | |
| propane-1,3-diol NIST | 1491.50 | 1532.00 | 1405.25 | 1457.00 | 933.00 | 818.00 | 1351.43 | 799.67 | 1657.67 | 1387.33 | 1721.00 | 1097.00 | 1795.33 | 1395.67 | 1226.00 | 2182.00 | |
| putrescine | 51923.50 | 88173.00 | 75052.25 | 13851.00 | 46116.00 | 36977.25 | 35321.43 | 65413.00 | 32654.33 | 91809.33 | 51937.33 | 57641.50 | 61616.00 | 38116.67 | 77564.00 | 39850.50 | |
| pyrophosphate | 44473.25 | 47434.00 | 35135.50 | 26493.00 | 20317.00 | 22391.00 | 24141.14 | 22475.33 | 18858.00 | 33903.67 | 36693.00 | 28704.25 | 54337.67 | 45088.67 | 29893.00 | 51235.75 | |
| pyrrole-2-carboxylic acid | 17150.25 | 27190.50 | 17831.25 | 5774.00 | 17328.80 | 15479.75 | 11921.71 | 12976.83 | 9858.00 | 14551.00 | 11904.33 | 14489.25 | 15225.33 | 21134.33 | 15639.00 | 13972.75 | |
| pyruvic acid | 1335.25 | 591.00 | 992.75 | 598.00 | 969.60 | 1160.25 | 684.71 | 1127.17 | 1539.67 | 1353.00 | 1333.33 | 1045.50 | 825.00 | 1162.33 | 1121.00 | 1845.00 | |
| raffinose | 546.50 | 355.50 | 310.00 | 790.00 | 210.40 | 341.25 | 385.57 | 407.00 | 477.33 | 769.00 | 583.00 | 256.50 | 352.67 | 744.00 | 458.00 | 549.75 | |
| ribose | 9758.00 | 9968.00 | 10179.00 | 6807.00 | 7544.00 | 6023.00 | 8499.57 | 6725.33 | 8807.33 | 7778.00 | 8236.33 | 5839.25 | 7890.00 | 8241.33 | 7655.00 | 7810.75 | |
| saccharopine | 643.25 | 1049.00 | 607.50 | 553.00 | 905.60 | 723.25 | 597.86 | 602.00 | 672.00 | 781.17 | 742.33 | 759.25 | 753.67 | 892.67 | 553.00 | 979.75 | |
| sarcosine | 37598.00 | 61797.50 | 36764.50 | 49773.00 | 24394.80 | 23361.75 | 33044.71 | 37266.67 | 58417.00 | 41495.33 | 46826.33 | 36905.50 | 59191.33 | 38472.67 | 27901.00 | 62112.75 | |
| serine | 389325.50 | 386894.50 | 448843.75 | 260274.00 | 351204.60 | 218510.25 | 343708.00 | 217881.33 | 421920.33 | 461568.83 | 561591.33 | 375981.50 | 514903.67 | 262392.67 | 463868.00 | 470420.25 | |
| shikimic acid | 10652.50 | 8326.50 | 9475.75 | 11713.00 | 4650.00 | 4328.25 | 4686.00 | 5031.00 | 4331.00 | 4004.17 | 3593.00 | 3427.00 | 11900.33 | 10452.33 | 9070.00 | 10437.75 | |
| spermidine | 1295.25 | 1651.50 | 1516.75 | 1618.00 | 1225.20 | 1073.00 | 1316.43 | 1082.50 | 1425.67 | 1551.83 | 1533.33 | 1465.50 | 1671.33 | 1310.00 | 1213.00 | 1459.75 | |
| stearic acid | 220217.75 | 225899.50 | 201329.25 | 189575.00 | 135833.80 | 155167.25 | 222965.57 | 152179.67 | 279526.00 | 245786.33 | 249909.33 | 140833.50 | 346587.00 | 187664.67 | 163260.00 | 265730.75 | |
| sucrose | 349.00 | 119.00 | 222.25 | 289.00 | 113.20 | 112.75 | 121.71 | 75.67 | 151.33 | 155.67 | 249.33 | 109.75 | 212.67 | 102.67 | 141.00 | 192.75 | |
| sulfuric acid | 740.00 | 819.50 | 824.50 | 724.00 | 421.60 | 327.25 | 540.71 | 530.00 | 654.00 | 486.33 | 798.67 | 588.00 | 517.00 | 401.67 | 931.00 | 568.50 | |
| taurine | 3675367.75 | 4258678.00 | 3346246.75 | 2843147.00 | 1732556.60 | 2015796.50 | 2635969.71 | 2764409.83 | 2763227.33 | 3169893.50 | 3809379.00 | 2530289.50 | 4484565.00 | 3076886.67 | 2816402.00 | 3510226.00 | |
| threonic acid | 3532.25 | 7695.00 | 4083.25 | 3931.00 | 3052.80 | 2406.75 | 3858.29 | 2876.50 | 2308.00 | 3936.67 | 3785.00 | 3510.25 | 5672.33 | 3954.00 | 3123.00 | 4612.75 | |
| threonine | 103089.25 | 185956.00 | 219896.00 | 99539.00 | 497654.60 | 430641.25 | 314647.29 | 376317.83 | 117491.67 | 254004.50 | 123559.33 | 282977.25 | 124350.33 | 201418.00 | 238986.00 | 122282.00 | |
| thymine | 1297.00 | 1530.50 | 1514.25 | 687.00 | 742.20 | 833.00 | 1058.00 | 849.83 | 1125.33 | 971.67 | 1349.67 | 945.00 | 1364.67 | 1233.67 | 810.00 | 1285.00 | |
| trans-4-hydroxyproline | 609135.25 | 1986368.50 | 670152.00 | 872364.00 | 626902.20 | 1597135.25 | 1067927.14 | 629472.00 | 746671.33 | 1293076.67 | 631821.00 | 781159.75 | 718277.33 | 963285.67 | 507226.00 | 651911.75 | |
| trehalose | 38907.25 | 32505.00 | 31329.75 | 11585.00 | 16648.20 | 24086.75 | 36003.86 | 34272.33 | 62265.67 | 44534.00 | 43812.33 | 38761.50 | 14375.00 | 25465.67 | 36363.00 | 32098.75 | |
| trehalose-6-phosphate | 368.00 | 446.00 | 475.50 | 407.00 | 207.60 | 241.75 | 326.00 | 273.50 | 358.33 | 309.17 | 349.00 | 233.25 | 603.67 | 442.33 | 194.00 | 574.25 | |
| tryptophan | 145716.75 | 125768.50 | 217791.50 | 99964.00 | 379154.40 | 483239.00 | 421965.29 | 387807.83 | 163581.00 | 248478.00 | 166175.33 | 445182.75 | 104758.67 | 238192.00 | 494240.00 | 195856.75 | |
| tyrosine | 1302001.75 | 755432.50 | 1614512.25 | 677041.00 | 2507736.00 | 2730228.75 | 2527354.14 | 2220027.83 | 2050919.67 | 1409884.00 | 1250493.00 | 2969606.00 | 907639.00 | 1851925.00 | 2908875.00 | 1614858.75 | |
| UDP GlcNAc | 6163.00 | 6216.50 | 4499.25 | 4071.00 | 2093.60 | 2422.75 | 2472.00 | 2288.50 | 3012.00 | 4316.83 | 3727.33 | 2254.00 | 5088.67 | 5986.67 | 3132.00 | 5733.25 | |
| uracil | 11465.50 | 9802.00 | 9586.75 | 5793.00 | 7315.20 | 6572.75 | 7935.71 | 6593.00 | 7365.67 | 10139.50 | 9501.67 | 7451.00 | 12205.67 | 10259.33 | 9212.00 | 9921.50 | |
| urea | 409654.50 | 270699.00 | 306761.00 | 189191.00 | 158746.00 | 185010.50 | 206262.00 | 151443.50 | 244984.67 | 236630.67 | 241564.33 | 252274.00 | 360369.00 | 202719.33 | 204065.00 | 309567.00 | |
| uric acid | 40169.75 | 45381.00 | 39726.00 | 38943.00 | 23294.60 | 31544.50 | 28165.57 | 33000.83 | 28848.33 | 37432.83 | 35179.33 | 37243.00 | 50659.67 | 37143.33 | 27557.00 | 47569.00 | |
| uridine | 19213.25 | 15019.50 | 15166.75 | 11323.00 | 5121.00 | 6714.50 | 9721.43 | 7905.67 | 9921.67 | 13526.17 | 12535.67 | 8053.50 | 17379.00 | 14880.33 | 9472.00 | 15013.25 | |
| valine | 555705.50 | 571349.00 | 748069.00 | 490665.00 | 1337368.80 | 1055521.75 | 977242.43 | 1062920.67 | 637020.00 | 626405.83 | 695602.67 | 1076196.00 | 529145.00 | 616815.67 | 1202315.00 | 635375.00 | |
| xanthine | 15705.00 | 13795.00 | 17126.75 | 9646.00 | 8731.20 | 9048.25 | 11009.29 | 8139.33 | 12640.33 | 11418.83 | 13604.67 | 8704.50 | 16461.00 | 10001.67 | 10668.00 | 11497.50 | |
| xanthosine | 287.50 | 251.50 | 245.50 | 240.00 | 97.60 | 105.00 | 254.00 | 140.33 | 243.00 | 246.00 | 280.67 | 197.25 | 266.67 | 178.33 | 228.00 | 287.00 | |
| xanthurenic acid | 1282.25 | 594.50 | 1105.25 | 568.00 | 724.40 | 872.00 | 1907.86 | 678.00 | 1844.67 | 1731.50 | 1279.33 | 1233.75 | 959.33 | 574.33 | 945.00 | 927.50 | |
| xylitol | 2017.25 | 1483.00 | 1226.75 | 1430.00 | 1030.00 | 886.50 | 1283.14 | 1469.00 | 1606.33 | 1511.00 | 1719.33 | 2235.25 | 2016.00 | 1378.33 | 755.00 | 1860.50 |
Factors:
| F1 | TreatmentDuration (days):30 | ph treatment:high | DO treatment:high |
| F2 | TreatmentDuration (days):30 | ph treatment:high | DO treatment:low |
| F3 | TreatmentDuration (days):30 | ph treatment:low | DO treatment:high |
| F4 | TreatmentDuration (days):30 | ph treatment:low | DO treatment:low |
| F5 | TreatmentDuration (days):31 | ph treatment:high | DO treatment:high |
| F6 | TreatmentDuration (days):31 | ph treatment:high | DO treatment:low |
| F7 | TreatmentDuration (days):31 | ph treatment:low | DO treatment:high |
| F8 | TreatmentDuration (days):31 | ph treatment:low | DO treatment:low |
| F9 | TreatmentDuration (days):32 | ph treatment:high | DO treatment:high |
| F10 | TreatmentDuration (days):32 | ph treatment:high | DO treatment:low |
| F11 | TreatmentDuration (days):32 | ph treatment:low | DO treatment:high |
| F12 | TreatmentDuration (days):32 | ph treatment:low | DO treatment:low |
| F13 | TreatmentDuration (days):33 | ph treatment:high | DO treatment:high |
| F14 | TreatmentDuration (days):33 | ph treatment:high | DO treatment:low |
| F15 | TreatmentDuration (days):33 | ph treatment:low | DO treatment:high |
| F16 | TreatmentDuration (days):33 | ph treatment:low | DO treatment:low |
