Data for ST000385
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,5-anhydroglucitol | 7761.56 | 6453.50 | 6414.67 | 5416.62 | 7157.78 | 9202.29 | 6607.62 | 8457.86 | 14244.67 | 14858.50 | 14008.67 | 11272.62 | 16234.89 | 20225.00 | 12819.38 | 18508.14 | 6832.25 | |
1-monoolein | 497.56 | 449.33 | 308.13 | 455.15 | 222.89 | 225.29 | 297.77 | 416.36 | 1253.00 | 468.00 | 762.80 | 1203.00 | 590.44 | 455.86 | 680.00 | 923.50 | 519.85 | |
1-monopalmitin | 71.44 | 55.67 | 65.20 | 60.00 | 89.33 | 69.29 | 83.62 | 59.07 | 154.44 | 157.33 | 146.13 | 154.31 | 173.33 | 144.14 | 163.31 | 147.36 | 72.00 | |
1-monostearin | 84.11 | 78.67 | 89.00 | 83.08 | 68.78 | 96.43 | 138.77 | 90.64 | 133.11 | 132.00 | 129.67 | 136.08 | 158.11 | 146.71 | 161.31 | 150.00 | 72.55 | |
2,3,5-trihydroxypyrazine NIST | 43.00 | 47.67 | 42.27 | 37.92 | 31.89 | 38.43 | 35.08 | 42.07 | 59.89 | 65.67 | 55.33 | 56.92 | 58.78 | 69.00 | 53.15 | 63.14 | 38.60 | |
2,3-dihydroxybutanoic acid NIST | 82.78 | 68.33 | 72.47 | 94.31 | 87.44 | 69.00 | 84.00 | 58.50 | 112.11 | 123.33 | 111.60 | 192.38 | 152.56 | 105.57 | 152.15 | 112.50 | 63.15 | |
2-deoxyerythritol | 344.89 | 294.83 | 392.67 | 313.31 | 349.67 | 638.29 | 479.38 | 348.36 | 470.33 | 497.00 | 498.60 | 497.31 | 475.56 | 955.43 | 677.46 | 519.36 | 314.20 | |
2-deoxytetronic acid NIST | 514.11 | 724.50 | 715.60 | 908.38 | 495.22 | 717.43 | 819.62 | 650.79 | 882.56 | 1536.67 | 1221.40 | 1848.23 | 825.78 | 1352.14 | 1366.15 | 1474.79 | 713.70 | |
2-hydroxybutanoic acid | 6345.67 | 10855.83 | 8536.00 | 8479.77 | 6442.67 | 4984.86 | 9604.31 | 5560.79 | 13456.56 | 24575.67 | 17206.47 | 18680.85 | 9734.33 | 11861.86 | 18503.46 | 12738.36 | 7708.00 | |
2-hydroxyglutaric acid | 338.44 | 316.17 | 341.47 | 316.08 | 295.89 | 434.43 | 357.46 | 296.00 | 1155.67 | 1450.33 | 1145.00 | 1139.77 | 1247.44 | 1724.86 | 1387.77 | 1565.93 | 223.35 | |
2-hydroxyhippuric acid | 55.44 | 47.67 | 53.60 | 39.23 | 116.44 | 48.43 | 84.69 | 43.93 | 89.00 | 93.33 | 78.53 | 88.23 | 308.11 | 101.14 | 90.38 | 92.14 | 100.55 | |
2-hydroxyvaleric acid | 7742.56 | 563.33 | 706.13 | 714.23 | 630.44 | 528.71 | 603.85 | 502.36 | 14080.56 | 1138.17 | 1371.47 | 1322.31 | 927.22 | 1089.14 | 1210.77 | 1235.21 | 1231.35 | |
2-ketoisocaproic acid | 1773.67 | 2529.00 | 1893.80 | 1922.77 | 1568.89 | 1780.86 | 2031.85 | 1943.07 | 1978.89 | 3326.17 | 1861.53 | 2366.38 | 1557.89 | 2223.86 | 1890.85 | 2007.93 | 2105.85 | |
3-aminoisobutyric acid | 400.44 | 396.33 | 333.80 | 1977.69 | 448.00 | 329.43 | 333.92 | 376.57 | 794.33 | 1041.67 | 821.53 | 3661.77 | 722.78 | 961.43 | 690.54 | 636.21 | 646.80 | |
3-hydroxybutanoic acid | 1786.11 | 7660.67 | 5224.60 | 6794.23 | 2064.11 | 3660.14 | 5711.46 | 3592.21 | 3370.56 | 15495.83 | 9284.93 | 14606.62 | 3832.11 | 7777.29 | 10959.23 | 7086.21 | 4867.70 | |
3-phosphoglycerate | 79.89 | 128.83 | 94.67 | 97.31 | 58.00 | 145.71 | 107.69 | 203.93 | 81.56 | 190.67 | 79.73 | 140.31 | 83.67 | 279.86 | 162.46 | 306.43 | 95.25 | |
4-hydroxyproline | 2162.67 | 1602.67 | 1959.40 | 1542.00 | 1877.33 | 1800.00 | 1979.46 | 1788.36 | 4509.44 | 3780.33 | 3821.87 | 3643.77 | 4135.33 | 3779.14 | 3417.31 | 4013.57 | 1218.85 | |
5-hydroxynorvaline NIST | 79.89 | 99.33 | 124.13 | 87.15 | 189.00 | 217.29 | 127.23 | 102.71 | 205.67 | 194.83 | 242.47 | 229.00 | 546.00 | 504.71 | 261.77 | 237.21 | 193.15 | |
5-methoxytryptamine | 168.33 | 125.83 | 159.80 | 217.62 | 92.67 | 72.86 | 94.77 | 212.36 | 271.56 | 336.50 | 204.13 | 308.08 | 191.00 | 255.29 | 320.23 | 313.21 | 276.75 | |
acetophenone NIST | 611.11 | 670.67 | 753.27 | 654.62 | 639.33 | 740.29 | 696.77 | 682.86 | 1147.11 | 991.17 | 1067.53 | 1060.54 | 1267.78 | 1392.86 | 1220.77 | 1054.71 | 433.55 | |
aconitic acid | 109.89 | 87.50 | 100.00 | 124.23 | 87.67 | 125.57 | 130.77 | 107.07 | 171.67 | 119.83 | 139.20 | 180.38 | 158.11 | 176.00 | 188.23 | 184.07 | 112.50 | |
adenosine-5-phosphate | 208.00 | 178.67 | 278.27 | 278.23 | 224.33 | 89.00 | 93.62 | 239.79 | 101.78 | 102.50 | 100.73 | 100.15 | 206.33 | 158.57 | 94.38 | 79.07 | 144.60 | |
adipic acid | 270.22 | 244.17 | 235.40 | 258.62 | 319.78 | 399.86 | 242.15 | 228.57 | 667.44 | 760.17 | 736.20 | 626.31 | 701.89 | 830.43 | 793.54 | 1085.71 | 295.65 | |
alanine | 64882.89 | 65783.17 | 71413.47 | 55504.92 | 69009.56 | 58080.86 | 70379.15 | 76780.57 | 183321.67 | 176308.33 | 172320.00 | 154131.69 | 174118.22 | 141623.29 | 160135.08 | 174551.36 | 73514.25 | |
alpha ketoglutaric acid | 189.56 | 156.83 | 172.47 | 164.46 | 137.00 | 92.29 | 146.54 | 139.50 | 94.89 | 52.83 | 79.00 | 116.38 | 76.44 | 80.14 | 74.92 | 77.29 | 241.10 | |
aminomalonic acid | 1371.78 | 608.00 | 893.13 | 788.31 | 1155.89 | 943.00 | 1042.08 | 945.71 | 1950.56 | 1157.83 | 1538.47 | 1234.15 | 2096.11 | 1542.29 | 1591.77 | 1493.21 | 1068.35 | |
arabinose | 228.00 | 176.50 | 214.07 | 199.69 | 173.78 | 218.57 | 201.38 | 182.36 | 281.22 | 393.17 | 404.47 | 352.23 | 328.22 | 449.43 | 345.23 | 346.64 | 153.70 | |
arabitol | 81.78 | 58.00 | 77.47 | 103.31 | 75.11 | 123.43 | 92.54 | 64.71 | 151.44 | 158.33 | 132.53 | 208.46 | 133.00 | 185.29 | 125.69 | 149.00 | 82.45 | |
arachidic acid | 1805.44 | 1727.50 | 1637.67 | 1960.69 | 1789.78 | 1776.43 | 2148.77 | 1594.71 | 1076.56 | 1132.83 | 1092.40 | 1110.08 | 1068.67 | 1036.86 | 987.69 | 875.71 | 2006.50 | |
arachidonic acid | 2177.33 | 1988.50 | 2415.20 | 1862.54 | 2372.56 | 2399.14 | 3557.62 | 2769.00 | 7651.44 | 7322.83 | 6936.47 | 7137.85 | 9189.11 | 7400.71 | 10294.77 | 8420.21 | 552.20 | |
asparagine | 1289.67 | 1409.33 | 1634.07 | 1376.23 | 2021.56 | 2122.43 | 1750.38 | 1608.57 | 5347.33 | 4804.00 | 5714.80 | 4965.00 | 5639.00 | 5389.57 | 4869.38 | 4217.14 | 1610.00 | |
aspartic acid | 465.44 | 498.83 | 484.73 | 488.92 | 355.89 | 334.43 | 423.31 | 601.43 | 4930.11 | 4070.33 | 6825.20 | 3639.62 | 1597.11 | 1631.71 | 1504.08 | 1837.57 | 467.60 | |
azelaic acid | 53.56 | 51.33 | 48.07 | 53.31 | 50.00 | 42.14 | 47.54 | 46.57 | 577.00 | 430.83 | 687.20 | 438.92 | 468.00 | 412.86 | 519.62 | 1008.07 | 50.40 | |
behenic acid | 83.89 | 130.67 | 100.80 | 79.31 | 140.22 | 128.43 | 103.23 | 99.50 | 189.44 | 175.17 | 178.07 | 211.00 | 226.00 | 223.14 | 172.77 | 180.86 | 115.95 | |
benzoic acid | 1256.33 | 1191.00 | 1341.60 | 1320.08 | 1349.44 | 1523.86 | 1355.85 | 1330.64 | 2282.11 | 2161.50 | 2845.27 | 2595.38 | 2404.33 | 2778.14 | 2571.69 | 2526.86 | 1625.80 | |
benzylalcohol | 27712.44 | 29980.33 | 27738.07 | 27899.85 | 27640.67 | 29633.00 | 27243.62 | 28597.14 | 51516.89 | 53802.50 | 45924.67 | 53525.00 | 54819.89 | 55183.86 | 49726.31 | 52185.64 | 28843.05 | |
beta alanine | 80.44 | 112.00 | 83.00 | 120.31 | 77.33 | 98.00 | 123.00 | 113.71 | 263.00 | 330.83 | 238.47 | 355.31 | 160.67 | 240.14 | 262.62 | 248.64 | 98.60 | |
beta-glycerolphosphate | 84.78 | 71.33 | 80.13 | 92.92 | 74.00 | 98.00 | 90.54 | 75.57 | 170.00 | 155.83 | 154.60 | 192.23 | 175.11 | 218.29 | 175.00 | 178.29 | 74.30 | |
beta-mannosylglycerate | 2249.56 | 1774.50 | 2067.60 | 1414.23 | 1718.89 | 2461.14 | 1581.38 | 2405.71 | 3765.78 | 3160.83 | 2773.73 | 2579.38 | 3319.44 | 3859.57 | 2614.62 | 4042.64 | 2245.20 | |
capric acid | 708.44 | 743.17 | 785.27 | 733.08 | 757.11 | 785.57 | 717.46 | 670.43 | 1423.78 | 1801.33 | 1628.93 | 1525.77 | 1650.11 | 1421.71 | 1562.08 | 1469.00 | 904.65 | |
caprylic acid | 770.56 | 837.50 | 840.67 | 746.46 | 941.22 | 997.86 | 897.85 | 907.14 | 1343.56 | 1320.67 | 1405.47 | 1374.54 | 1618.44 | 1640.14 | 1646.00 | 1542.43 | 480.55 | |
cholesterol | 50420.78 | 58676.50 | 49326.53 | 50471.85 | 56120.89 | 55175.29 | 51490.92 | 49663.93 | 77385.44 | 85707.67 | 76547.20 | 85179.92 | 110421.78 | 90059.00 | 86946.31 | 85998.64 | 57784.60 | |
citric acid | 10779.44 | 8270.83 | 9914.13 | 10785.46 | 8604.22 | 10520.71 | 13414.23 | 10623.14 | 11955.44 | 9234.00 | 9804.13 | 12672.69 | 8609.44 | 12222.86 | 12707.85 | 11534.71 | 10889.75 | |
citrulline | 341.78 | 353.17 | 327.93 | 367.38 | 512.44 | 476.71 | 439.38 | 385.86 | 910.67 | 787.17 | 658.80 | 881.92 | 1122.11 | 975.29 | 926.38 | 835.86 | 449.75 | |
conduritol beta epoxide | 376.33 | 290.00 | 364.87 | 354.08 | 314.44 | 386.71 | 647.46 | 272.21 | 685.78 | 604.17 | 1640.00 | 742.00 | 445.33 | 799.00 | 1149.77 | 490.86 | 376.50 | |
creatinine | 2047.22 | 2203.17 | 2467.47 | 3905.54 | 2397.33 | 2119.14 | 3123.69 | 2802.64 | 7255.22 | 5838.00 | 5577.13 | 12219.15 | 8043.89 | 7026.29 | 8703.38 | 7304.29 | 3027.60 | |
cysteine | 510.00 | 756.50 | 789.00 | 644.54 | 715.22 | 548.00 | 800.46 | 826.21 | 1254.33 | 1928.33 | 1422.33 | 1483.69 | 1819.33 | 1387.43 | 1470.38 | 1414.14 | 745.40 | |
cysteine-glycine | 171.11 | 150.50 | 206.07 | 188.77 | 165.89 | 129.57 | 165.92 | 141.86 | 317.11 | 293.83 | 271.47 | 289.62 | 341.67 | 294.29 | 268.00 | 264.43 | 188.70 | |
cystine | 2670.22 | 4102.17 | 3825.60 | 4223.46 | 3927.67 | 4078.00 | 5404.15 | 4904.43 | 8527.44 | 9340.83 | 8969.13 | 10733.15 | 9597.11 | 11529.71 | 12894.31 | 10809.00 | 4620.80 | |
dihydro-3-coumaric acid | 198.78 | 272.00 | 228.93 | 227.69 | 239.78 | 201.43 | 261.69 | 291.57 | 520.33 | 710.67 | 607.40 | 625.38 | 646.00 | 524.86 | 633.69 | 598.00 | 276.65 | |
erythritol | 414.33 | 641.83 | 810.33 | 472.46 | 317.89 | 406.86 | 415.15 | 402.21 | 695.44 | 1209.17 | 1369.60 | 850.08 | 595.44 | 810.00 | 720.77 | 764.50 | 550.00 | |
erythrose | 68.11 | 58.67 | 60.07 | 69.46 | 68.78 | 86.29 | 89.54 | 64.64 | 156.11 | 137.83 | 189.27 | 199.85 | 190.89 | 202.43 | 213.62 | 212.79 | 49.80 | |
ethanolamine | 1030.89 | 873.67 | 771.00 | 1177.15 | 561.00 | 538.71 | 590.85 | 765.93 | 1919.00 | 1995.17 | 1467.87 | 2101.85 | 829.89 | 888.71 | 1337.85 | 1318.93 | 2021.25 | |
fructose | 12610.78 | 22636.00 | 17239.33 | 16189.62 | 21048.67 | 24788.71 | 27469.15 | 25386.79 | 31531.00 | 57892.50 | 44850.67 | 51609.15 | 65439.33 | 64666.57 | 65753.62 | 71052.93 | 3969.65 | |
fucose | 298.33 | 313.17 | 300.93 | 310.38 | 314.56 | 355.00 | 305.08 | 337.86 | 594.67 | 613.00 | 643.40 | 696.77 | 585.78 | 682.71 | 643.00 | 678.50 | 323.90 | |
fumaric acid | 147.56 | 189.67 | 190.60 | 167.31 | 135.00 | 118.86 | 168.31 | 154.64 | 344.22 | 361.50 | 363.00 | 363.54 | 245.00 | 331.57 | 322.31 | 333.00 | 154.60 | |
gamma-tocopherol | 337.67 | 530.83 | 286.87 | 407.00 | 228.22 | 369.00 | 244.31 | 360.43 | 560.78 | 838.67 | 454.27 | 694.85 | 426.56 | 678.86 | 400.00 | 569.43 | 314.75 | |
gluconic acid | 105.78 | 87.00 | 132.60 | 182.23 | 128.56 | 119.71 | 190.00 | 144.64 | 214.56 | 200.50 | 216.87 | 401.69 | 202.56 | 228.86 | 243.92 | 261.07 | 131.80 | |
glucose | 47707.11 | 55063.67 | 54149.20 | 53258.92 | 54491.89 | 52678.86 | 59147.38 | 63021.14 | 76715.67 | 100235.67 | 83973.33 | 96504.62 | 86463.33 | 98555.29 | 102394.46 | 106194.93 | 65434.85 | |
glucuronic acid | 376.22 | 219.17 | 246.67 | 380.15 | 477.22 | 458.86 | 352.31 | 465.29 | 752.44 | 606.00 | 497.13 | 1006.23 | 1181.00 | 1218.71 | 711.46 | 1050.14 | 375.20 | |
glutamic acid | 4014.33 | 4394.67 | 3800.53 | 3773.69 | 2108.22 | 3409.86 | 2975.69 | 3612.57 | 11603.67 | 12398.83 | 13814.60 | 9693.00 | 4420.56 | 7681.14 | 6232.77 | 6637.36 | 3419.05 | |
glutamine | 22863.11 | 25879.33 | 23095.87 | 25857.77 | 40800.56 | 39746.43 | 38452.85 | 32776.43 | 58495.22 | 41718.33 | 41572.87 | 53517.08 | 76947.22 | 69887.57 | 69682.15 | 64845.14 | 28825.60 | |
glutaric acid | 69.11 | 54.17 | 67.33 | 49.85 | 79.56 | 66.00 | 66.15 | 58.93 | 205.78 | 149.67 | 204.07 | 208.15 | 210.22 | 240.57 | 188.00 | 255.79 | 71.15 | |
glyceric acid | 1704.67 | 988.67 | 1443.67 | 1246.38 | 1398.56 | 1259.29 | 1899.69 | 1461.14 | 3029.56 | 2527.00 | 3014.47 | 2694.00 | 3294.33 | 2578.57 | 4166.77 | 3042.07 | 864.30 | |
glycerol | 10553.11 | 8101.83 | 10701.60 | 8267.54 | 10424.00 | 9617.29 | 14437.69 | 7321.71 | 16998.89 | 14430.50 | 18349.67 | 16579.31 | 17619.67 | 19473.43 | 21978.38 | 13359.14 | 9184.75 | |
glycerol-3-galactoside | 482.89 | 459.17 | 487.80 | 477.23 | 508.11 | 369.00 | 480.15 | 484.29 | 286.56 | 272.83 | 312.33 | 589.77 | 312.78 | 407.14 | 441.08 | 588.71 | 444.80 | |
glycerol-alpha-phosphate | 1396.89 | 1018.50 | 1600.93 | 1043.62 | 1400.78 | 1544.43 | 2123.85 | 1442.79 | 8353.56 | 6515.67 | 7950.40 | 6886.23 | 9704.78 | 8729.71 | 10492.54 | 8165.93 | 312.20 | |
glycine | 57825.78 | 32546.83 | 48537.67 | 38388.38 | 55527.33 | 48427.29 | 51146.85 | 49002.21 | 144519.11 | 87864.17 | 126094.93 | 97835.46 | 138612.22 | 116322.14 | 109241.77 | 107703.00 | 56638.10 | |
glycolic acid | 659.89 | 562.00 | 632.73 | 590.00 | 571.11 | 549.29 | 677.85 | 712.21 | 941.56 | 952.33 | 940.47 | 1005.77 | 1014.22 | 1073.57 | 1131.23 | 1076.57 | 443.05 | |
heptadecanoic acid NIST | 278.67 | 315.00 | 346.40 | 301.69 | 345.33 | 323.29 | 473.23 | 346.43 | 429.22 | 397.17 | 448.87 | 535.00 | 498.00 | 511.43 | 531.38 | 611.93 | 323.65 | |
hippuric acid | 3941.89 | 2392.50 | 3191.27 | 2552.77 | 1777.11 | 1605.00 | 1757.46 | 1984.14 | 5548.78 | 4832.00 | 5518.87 | 3753.54 | 3535.78 | 3360.29 | 3503.08 | 3534.71 | 3780.90 | |
histidine | 2947.11 | 2528.17 | 2738.60 | 3068.69 | 3218.56 | 2960.57 | 3743.31 | 3327.57 | 8807.11 | 5713.67 | 5581.53 | 7045.62 | 5712.89 | 5885.86 | 6344.15 | 6771.21 | 4602.70 | |
hydroxylamine | 533.00 | 548.50 | 424.27 | 551.54 | 481.44 | 510.43 | 496.77 | 527.29 | 1327.89 | 1023.67 | 1089.27 | 1414.77 | 1203.33 | 1133.86 | 1155.62 | 1394.64 | 536.50 | |
indole-3-acetate | 337.67 | 1374.00 | 383.00 | 560.77 | 504.67 | 989.57 | 539.31 | 544.36 | 685.44 | 2622.83 | 761.07 | 1123.92 | 966.44 | 2061.29 | 1195.23 | 1150.57 | 578.35 | |
indole-3-lactate | 255.00 | 306.83 | 290.73 | 363.62 | 466.67 | 375.71 | 293.92 | 281.07 | 483.00 | 570.83 | 482.47 | 755.85 | 949.22 | 780.86 | 550.31 | 533.93 | 345.30 | |
inosine | 38.56 | 40.67 | 35.13 | 36.62 | 42.78 | 42.14 | 39.38 | 43.36 | 103.67 | 362.00 | 123.80 | 206.85 | 380.89 | 233.57 | 339.08 | 225.71 | 40.85 | |
inulobiose | 141.33 | 119.17 | 230.00 | 192.46 | 160.22 | 187.43 | 494.54 | 138.07 | 203.78 | 250.67 | 468.93 | 354.69 | 277.89 | 382.57 | 235.54 | 279.86 | 184.25 | |
isocitric acid | 313.44 | 265.33 | 337.13 | 411.46 | 220.22 | 332.29 | 419.23 | 328.57 | 306.00 | 253.00 | 247.20 | 357.00 | 224.11 | 332.43 | 319.00 | 308.79 | 339.85 | |
isoleucine | 14145.22 | 17628.33 | 17310.13 | 16748.92 | 12605.89 | 14913.00 | 17570.31 | 15391.00 | 27674.67 | 38285.00 | 31984.60 | 33794.00 | 23478.00 | 30456.14 | 31676.92 | 29783.21 | 16356.10 | |
isothreonic acid | 534.11 | 417.33 | 581.47 | 618.77 | 631.56 | 579.43 | 861.69 | 621.79 | 983.22 | 995.33 | 1189.47 | 1406.54 | 1517.22 | 1316.57 | 1720.08 | 1343.00 | 388.50 | |
kynurenine | 92.22 | 98.17 | 101.40 | 108.15 | 77.22 | 93.29 | 98.08 | 96.14 | 183.78 | 202.50 | 157.60 | 205.85 | 172.00 | 214.43 | 158.38 | 242.93 | 107.80 | |
lactamide | 144.89 | 116.00 | 137.53 | 149.08 | 103.22 | 55.43 | 79.62 | 83.64 | 231.89 | 264.33 | 281.27 | 292.31 | 252.22 | 186.57 | 169.00 | 196.50 | 129.75 | |
lactic acid | 79041.44 | 64889.50 | 92373.27 | 78165.23 | 56574.78 | 28003.14 | 37229.69 | 51032.36 | 164557.11 | 156337.17 | 175400.40 | 190792.00 | 151633.33 | 92961.86 | 98513.77 | 106303.00 | 68347.35 | |
lauric acid | 1548.44 | 1309.50 | 1474.87 | 1218.00 | 1151.00 | 1127.00 | 1080.77 | 1003.43 | 2411.22 | 2544.00 | 2382.27 | 2372.62 | 1985.78 | 2143.29 | 1964.92 | 1878.50 | 1501.50 | |
leucine | 17781.00 | 24541.00 | 25661.13 | 20478.31 | 19662.00 | 19413.14 | 24651.15 | 23097.21 | 40281.22 | 63746.50 | 54673.80 | 46338.46 | 40308.89 | 38377.29 | 50460.23 | 46575.00 | 22105.50 | |
levoglucosan | 185.44 | 368.00 | 227.07 | 326.15 | 245.89 | 216.43 | 157.23 | 397.00 | 312.11 | 749.67 | 392.27 | 648.00 | 423.00 | 440.00 | 305.23 | 808.00 | 276.50 | |
lignoceric acid | 333.44 | 174.00 | 255.93 | 290.85 | 265.33 | 574.86 | 200.62 | 196.64 | 420.00 | 296.17 | 351.40 | 390.46 | 643.67 | 383.71 | 394.85 | 358.07 | 392.80 | |
linoleic acid | 886.00 | 787.00 | 1051.67 | 754.85 | 822.00 | 838.43 | 1264.92 | 701.29 | 1889.11 | 1804.67 | 2106.00 | 1887.85 | 2123.00 | 1938.29 | 2876.08 | 1719.43 | 687.85 | |
linolenic acid | 811.78 | 576.67 | 809.00 | 1008.77 | 913.44 | 1066.86 | 1545.46 | 744.86 | 2097.56 | 2325.83 | 1674.73 | 2424.54 | 2624.78 | 2749.43 | 2324.38 | 2423.43 | 738.10 | |
lysine | 13832.78 | 12778.33 | 14652.40 | 14226.15 | 14297.22 | 12706.29 | 17718.77 | 15206.64 | 35437.33 | 32286.83 | 33491.20 | 33451.62 | 32334.56 | 30293.57 | 36828.31 | 33062.57 | 16340.85 | |
malate | 153.78 | 142.83 | 167.07 | 153.77 | 273.89 | 127.00 | 193.23 | 152.64 | 260.00 | 279.50 | 822.40 | 265.38 | 162.78 | 214.86 | 206.00 | 244.43 | 150.85 | |
maleimide | 428.22 | 183.17 | 207.80 | 188.62 | 233.33 | 285.86 | 248.15 | 189.36 | 2055.22 | 2488.83 | 2119.67 | 1899.85 | 1725.22 | 2266.00 | 1811.85 | 2125.86 | 187.00 | |
maltose | 223.11 | 60.17 | 124.27 | 257.38 | 102.33 | 81.00 | 135.08 | 155.00 | 269.33 | 211.00 | 365.73 | 410.15 | 106.22 | 143.14 | 157.77 | 184.93 | 155.25 | |
maltotriose | 153.11 | 80.83 | 86.33 | 181.54 | 71.56 | 64.00 | 83.15 | 129.00 | 139.78 | 131.50 | 149.00 | 164.92 | 104.67 | 145.57 | 101.31 | 133.79 | 128.20 | |
mannitol | 3591.22 | 2708.17 | 6849.27 | 5244.31 | 2928.89 | 5946.86 | 9442.31 | 3685.43 | 7809.11 | 6902.83 | 12142.60 | 10906.69 | 5568.44 | 11236.00 | 10538.31 | 7756.00 | 6050.65 | |
methanolphosphate | 193.00 | 237.00 | 284.13 | 239.23 | 279.56 | 313.43 | 258.85 | 254.64 | 470.22 | 571.33 | 464.60 | 571.38 | 622.67 | 637.86 | 578.38 | 449.50 | 266.40 | |
methionine | 765.00 | 1022.33 | 1085.47 | 836.85 | 1020.89 | 899.57 | 980.08 | 1177.64 | 1923.89 | 2762.33 | 2327.40 | 2084.23 | 2136.22 | 1944.00 | 1896.77 | 2163.00 | 1125.20 | |
methionine sulfoxide | 158.44 | 127.17 | 150.40 | 154.00 | 160.33 | 156.43 | 194.54 | 162.21 | 336.56 | 348.67 | 415.73 | 388.23 | 420.89 | 514.43 | 462.54 | 382.07 | 119.75 | |
methylhexadecanoic acid | 1077.56 | 949.67 | 1122.53 | 930.69 | 982.89 | 924.29 | 1213.23 | 888.43 | 1996.89 | 1809.00 | 1942.80 | 1986.15 | 2011.78 | 1740.29 | 2040.31 | 1795.43 | 993.95 | |
myo-inositol | 4124.00 | 2635.50 | 4347.40 | 5266.46 | 3106.44 | 4305.43 | 4823.31 | 3662.71 | 8142.67 | 6195.83 | 9087.87 | 11051.08 | 5906.44 | 9153.57 | 8712.92 | 6713.79 | 4491.15 | |
myristic acid | 720.67 | 552.50 | 741.53 | 555.31 | 685.00 | 617.43 | 712.15 | 453.93 | 1170.56 | 1036.17 | 1210.07 | 1114.15 | 1161.67 | 1194.29 | 1197.00 | 913.29 | 695.55 | |
N-acetylglucosamine | 845059.56 | 947519.33 | 843391.40 | 905657.85 | 905022.33 | 949547.71 | 850677.08 | 902411.00 | 2905.11 | 2876.50 | 2747.93 | 3577.00 | 2637.89 | 2810.00 | 2821.62 | 2479.14 | 863568.25 | |
N-acetylglutamate | 278.33 | 205.17 | 247.53 | 217.15 | 203.67 | 180.00 | 201.00 | 180.29 | 456.56 | 406.33 | 325.60 | 396.00 | 451.33 | 365.43 | 384.00 | 343.79 | 276.15 | |
N-acetylglycine NIST | 97.89 | 60.50 | 93.60 | 83.54 | 93.00 | 96.43 | 117.77 | 77.07 | 163.89 | 111.33 | 168.07 | 134.08 | 187.44 | 186.71 | 178.38 | 136.50 | 89.45 | |
naproxen | 58.11 | 55.50 | 1211.47 | 102.00 | 144.00 | 1950.00 | 614.85 | 2636.00 | 136.56 | 100.67 | 2035.33 | 180.00 | 114.44 | 4162.43 | 1174.46 | 5615.14 | 788.10 | |
nicotinic acid | 481.89 | 220.67 | 286.07 | 349.92 | 319.44 | 210.14 | 236.31 | 250.43 | 75.67 | 78.83 | 66.60 | 75.62 | 81.00 | 76.86 | 73.69 | 77.43 | 318.60 | |
N-methylalanine | 2994.00 | 3949.17 | 4329.93 | 3475.08 | 2955.89 | 3057.57 | 4499.46 | 3616.86 | 7333.67 | 9385.83 | 8426.40 | 8182.31 | 5917.33 | 6423.86 | 9082.15 | 7773.43 | 3735.25 | |
oleic acid | 2389.22 | 2108.67 | 2840.73 | 2202.38 | 2476.22 | 1873.57 | 3255.46 | 1327.43 | 4102.67 | 4116.17 | 4729.87 | 4495.62 | 5042.67 | 4138.14 | 6536.08 | 2707.29 | 2302.75 | |
ornithine | 14289.89 | 8927.67 | 13747.07 | 10906.77 | 8964.89 | 9865.14 | 11208.46 | 9527.07 | 39970.89 | 26014.33 | 36988.07 | 29353.85 | 22897.56 | 26015.14 | 26394.38 | 23446.29 | 12918.40 | |
oxalic acid | 170426.56 | 95421.33 | 112484.87 | 139202.38 | 128319.56 | 95128.43 | 95154.38 | 104840.36 | 14276.00 | 9101.83 | 12021.40 | 11021.54 | 15479.89 | 11261.00 | 17716.85 | 13997.71 | 131532.95 | |
oxoproline | 46708.44 | 41405.33 | 48398.93 | 35063.62 | 49726.89 | 41867.71 | 46596.92 | 40513.86 | 93200.89 | 90103.17 | 88094.47 | 79559.00 | 106904.56 | 89350.00 | 90041.31 | 81150.21 | 31065.30 | |
palmitic acid | 12596.44 | 11244.50 | 13302.33 | 10633.31 | 11357.11 | 11608.71 | 14128.08 | 9738.07 | 22899.11 | 22093.00 | 23536.87 | 22270.00 | 23608.78 | 22973.29 | 25740.69 | 19110.14 | 11422.25 | |
palmitoleic acid | 2077.56 | 1373.83 | 1881.00 | 1139.92 | 1831.33 | 1619.71 | 1583.08 | 568.93 | 3181.44 | 2750.17 | 2772.40 | 2240.62 | 3328.11 | 3428.29 | 3432.62 | 1087.00 | 1454.80 | |
parabanic acid NIST | 449.67 | 238.50 | 271.60 | 387.00 | 336.22 | 263.71 | 287.23 | 274.14 | 347.67 | 325.33 | 365.20 | 395.15 | 369.33 | 338.43 | 388.92 | 346.29 | 407.00 | |
paracetamol | 203.00 | 215.00 | 300.87 | 91.31 | 109.78 | 488.57 | 74.92 | 126.50 | 338.44 | 462.83 | 502.80 | 194.77 | 184.89 | 1077.29 | 154.15 | 253.29 | 166.80 | |
pelargonic acid | 2066.56 | 2036.67 | 2162.93 | 2159.54 | 2203.11 | 2427.00 | 2075.31 | 2148.21 | 4425.00 | 4416.83 | 4075.67 | 4711.38 | 4345.56 | 4268.71 | 4689.54 | 4494.21 | 2155.80 | |
phenylacetic acid | 59.56 | 52.00 | 65.73 | 69.46 | 94.00 | 78.43 | 71.92 | 72.71 | 154.56 | 133.50 | 136.00 | 151.77 | 192.33 | 144.43 | 154.54 | 158.21 | 82.95 | |
phenylalanine | 6762.78 | 6577.33 | 7245.27 | 6969.00 | 5665.00 | 7095.86 | 7917.00 | 6796.64 | 16804.33 | 15973.17 | 17992.80 | 17198.54 | 11785.89 | 15488.71 | 15785.15 | 14267.79 | 7219.75 | |
phenylethylamine | 188.11 | 280.33 | 213.87 | 271.54 | 179.89 | 565.57 | 197.85 | 315.14 | 547.11 | 694.50 | 554.60 | 730.85 | 451.00 | 1308.14 | 507.92 | 820.57 | 180.50 | |
pimelic acid | 145.11 | 94.17 | 67.27 | 85.77 | 63.22 | 57.14 | 59.62 | 75.57 | 404.11 | 350.17 | 319.27 | 304.62 | 205.89 | 252.86 | 239.85 | 417.21 | 99.70 | |
pipecolic acid | 54.44 | 277.17 | 108.07 | 98.77 | 125.44 | 700.86 | 124.00 | 218.43 | 213.33 | 1065.33 | 301.60 | 353.46 | 278.33 | 1567.00 | 287.38 | 646.21 | 173.10 | |
proline | 20131.22 | 31121.33 | 32577.40 | 24625.31 | 23178.78 | 36660.57 | 29487.85 | 35837.21 | 64836.22 | 93696.17 | 85223.40 | 70261.00 | 57526.44 | 89396.86 | 70878.00 | 89635.43 | 30726.35 | |
pseudo uridine | 822.89 | 746.17 | 766.13 | 1094.92 | 836.89 | 1012.57 | 917.38 | 863.14 | 1438.22 | 1393.50 | 1263.60 | 2079.54 | 1565.11 | 2041.43 | 1461.08 | 1553.64 | 854.75 | |
pyrophosphate | 3159.56 | 2037.17 | 2928.07 | 3441.92 | 926.56 | 845.00 | 1160.31 | 2489.07 | 756.44 | 726.33 | 840.73 | 954.54 | 871.11 | 904.14 | 854.08 | 1072.36 | 2166.25 | |
pyruvic acid | 3078.44 | 1691.00 | 2604.53 | 2303.31 | 748.56 | 564.00 | 1001.92 | 1154.29 | 421.33 | 298.33 | 323.40 | 726.92 | 246.00 | 233.86 | 218.85 | 295.93 | 2936.80 | |
quinic acid | 189.11 | 361.83 | 336.80 | 319.69 | 1268.33 | 976.57 | 362.38 | 278.86 | 353.67 | 864.67 | 5286.07 | 703.46 | 1385.22 | 1792.29 | 702.85 | 543.93 | 457.55 | |
rhamnose | 677.33 | 728.17 | 667.60 | 820.00 | 479.33 | 883.00 | 625.00 | 819.00 | 1262.89 | 1426.67 | 1251.27 | 1763.85 | 889.89 | 1878.29 | 1295.00 | 1596.36 | 693.10 | |
ribose | 46.67 | 43.17 | 43.40 | 39.62 | 54.11 | 42.71 | 54.85 | 52.36 | 84.56 | 62.17 | 85.47 | 101.08 | 84.44 | 126.00 | 95.31 | 94.57 | 42.60 | |
saccharic acid | 97.44 | 54.17 | 85.33 | 91.77 | 123.67 | 81.86 | 82.15 | 67.43 | 162.89 | 99.83 | 569.40 | 158.54 | 169.56 | 137.57 | 114.77 | 109.36 | 93.05 | |
salicylic acid | 293.89 | 140.00 | 465.07 | 268.00 | 25292.67 | 282.00 | 2897.31 | 447.93 | 518.00 | 300.67 | 900.67 | 544.15 | 62038.00 | 545.00 | 2805.77 | 851.57 | 9092.30 | |
serine | 4324.56 | 4954.33 | 6148.20 | 4653.46 | 4904.44 | 4525.00 | 5914.31 | 5050.29 | 14163.44 | 17881.33 | 18901.53 | 12810.92 | 12277.89 | 10805.71 | 12122.77 | 11988.00 | 5577.30 | |
shikimic acid | 114.78 | 121.67 | 97.73 | 224.31 | 130.67 | 214.71 | 149.62 | 173.50 | 1801.00 | 1360.33 | 1413.47 | 1326.38 | 1408.22 | 1382.86 | 1241.15 | 2195.43 | 241.05 | |
stearic acid | 67458.44 | 61819.00 | 67821.67 | 57840.15 | 60200.00 | 60496.00 | 73644.31 | 56613.57 | 110522.89 | 113669.17 | 110361.00 | 111962.92 | 110239.89 | 106321.71 | 114308.31 | 99767.50 | 63765.80 | |
succinic acid | 314.78 | 252.67 | 234.47 | 218.69 | 264.78 | 232.14 | 240.31 | 210.50 | 692.78 | 575.67 | 626.93 | 547.85 | 752.56 | 665.29 | 616.46 | 632.36 | 257.20 | |
sucrose | 80.22 | 73.17 | 89.60 | 84.85 | 663.67 | 75.57 | 102.00 | 102.79 | 150.11 | 163.67 | 2233.00 | 127.23 | 612.78 | 162.14 | 102.46 | 186.57 | 171.50 | |
tagatose | 564.33 | 686.17 | 501.47 | 525.00 | 553.44 | 758.86 | 734.46 | 801.50 | 1373.67 | 1906.17 | 1557.00 | 2253.92 | 2621.00 | 2362.14 | 2443.85 | 2627.50 | 361.85 | |
taurine | 1516.44 | 1208.50 | 1843.93 | 1459.38 | 637.78 | 697.00 | 953.15 | 1490.93 | 7196.11 | 6288.50 | 7561.40 | 6146.00 | 4426.22 | 5015.86 | 4597.62 | 4370.86 | 1226.50 | |
threitol | 204.22 | 131.17 | 184.53 | 208.92 | 182.78 | 205.57 | 211.15 | 187.57 | 337.78 | 268.00 | 316.00 | 413.08 | 322.00 | 419.29 | 320.77 | 345.64 | 200.45 | |
threonic acid | 1476.22 | 686.67 | 1391.13 | 938.54 | 2066.56 | 927.57 | 2764.92 | 1550.00 | 4367.00 | 1718.67 | 4230.27 | 2711.00 | 5207.44 | 2299.00 | 6360.92 | 3712.21 | 1114.45 | |
threonine | 11134.78 | 8881.83 | 10839.27 | 10425.23 | 12792.22 | 8803.29 | 11132.23 | 8531.21 | 22548.00 | 20766.50 | 21315.33 | 22654.62 | 27585.11 | 18796.86 | 22327.15 | 17106.79 | 11190.15 | |
threose | 73.67 | 85.33 | 86.47 | 71.15 | 84.78 | 80.71 | 100.08 | 87.43 | 187.67 | 198.83 | 169.33 | 205.46 | 192.22 | 229.29 | 220.77 | 204.29 | 89.25 | |
tocopherol alpha | 2047.67 | 1383.50 | 2167.40 | 1690.69 | 1998.67 | 1361.29 | 2785.00 | 1667.57 | 3359.44 | 2252.17 | 3092.67 | 3071.00 | 3887.22 | 2627.86 | 4755.92 | 2770.00 | 2000.65 | |
trans-4-hydroxyproline | 867.67 | 516.17 | 493.80 | 522.00 | 398.00 | 748.00 | 497.69 | 620.86 | 1548.89 | 752.33 | 762.27 | 1074.15 | 735.44 | 1418.29 | 885.23 | 1115.14 | 599.95 | |
tryptophan | 13181.22 | 15213.50 | 13450.27 | 13909.31 | 14308.33 | 13223.00 | 17131.00 | 14332.64 | 35867.00 | 37419.67 | 29239.27 | 33715.62 | 32844.89 | 32836.14 | 36991.54 | 31546.14 | 14771.90 | |
tyrosine | 15517.56 | 16759.00 | 17084.67 | 15785.00 | 12208.11 | 16150.43 | 19908.00 | 15627.43 | 32053.33 | 33117.67 | 31408.13 | 34517.85 | 28099.22 | 35417.86 | 37009.92 | 30165.21 | 16208.15 | |
urea | 183059.00 | 161834.33 | 176635.27 | 183204.54 | 145863.33 | 184004.00 | 179319.23 | 177258.43 | 265990.89 | 223477.00 | 241835.47 | 258144.23 | 194280.33 | 332311.71 | 264585.46 | 314945.14 | 165589.20 | |
uric acid | 10856.67 | 10948.17 | 12178.07 | 12664.77 | 10320.33 | 13977.14 | 15181.23 | 13962.00 | 22925.89 | 23383.83 | 21919.13 | 26796.85 | 20907.56 | 31017.86 | 27710.38 | 28422.00 | 10905.60 | |
uridine | 101.33 | 113.33 | 102.73 | 112.85 | 113.11 | 106.43 | 115.38 | 103.50 | 116.11 | 152.17 | 99.33 | 132.85 | 108.89 | 150.86 | 117.54 | 107.50 | 98.45 | |
valine | 33395.22 | 43357.83 | 43968.80 | 36895.46 | 36997.78 | 34845.29 | 43821.08 | 42701.50 | 79752.00 | 109368.33 | 91598.47 | 88599.38 | 78516.22 | 74117.71 | 89648.85 | 90664.79 | 40925.50 | |
xanthine | 54.11 | 49.67 | 53.33 | 58.31 | 45.67 | 50.71 | 47.31 | 44.14 | 159.78 | 130.50 | 175.20 | 144.92 | 141.33 | 136.86 | 125.38 | 127.36 | 50.10 | |
xylitol | 165.33 | 139.00 | 126.73 | 121.38 | 171.00 | 208.00 | 96.23 | 298.86 | 307.22 | 260.67 | 252.07 | 204.08 | 368.33 | 444.86 | 177.46 | 255.36 | 141.80 | |
xylose | 518.33 | 463.17 | 474.93 | 619.85 | 404.00 | 582.71 | 562.15 | 801.14 | 1018.67 | 980.67 | 993.60 | 1360.08 | 1050.11 | 1291.00 | 1056.23 | 1535.07 | 494.00 |
Factors:
F1 | Organ:Plasma | Health State:Adenocarcinoma | Smoking Status:Current | Gender:F |
F2 | Organ:Plasma | Health State:Adenocarcinoma | Smoking Status:Current | Gender:M |
F3 | Organ:Plasma | Health State:Adenocarcinoma | Smoking Status:Former | Gender:F |
F4 | Organ:Plasma | Health State:Adenocarcinoma | Smoking Status:Former | Gender:M |
F5 | Organ:Plasma | Health State:Healthy | Smoking Status:Current | Gender:F |
F6 | Organ:Plasma | Health State:Healthy | Smoking Status:Current | Gender:M |
F7 | Organ:Plasma | Health State:Healthy | Smoking Status:Former | Gender:F |
F8 | Organ:Plasma | Health State:Healthy | Smoking Status:Former | Gender:M |
F9 | Organ:Serum | Health State:Adenocarcinoma | Smoking Status:Current | Gender:F |
F10 | Organ:Serum | Health State:Adenocarcinoma | Smoking Status:Current | Gender:M |
F11 | Organ:Serum | Health State:Adenocarcinoma | Smoking Status:Former | Gender:F |
F12 | Organ:Serum | Health State:Adenocarcinoma | Smoking Status:Former | Gender:M |
F13 | Organ:Serum | Health State:Healthy | Smoking Status:Current | Gender:F |
F14 | Organ:Serum | Health State:Healthy | Smoking Status:Current | Gender:M |
F15 | Organ:Serum | Health State:Healthy | Smoking Status:Former | Gender:F |
F16 | Organ:Serum | Health State:Healthy | Smoking Status:Former | Gender:M |
F17 | Organ:Serum or Plasma | Health State:NA | Smoking Status:NA | Gender:NA |