Data for ST000389
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1-monopalmitin | 252.00 | 481.75 | 408.29 | 816.78 | 597.50 | 512.00 | 565.00 | 425.50 | 344.00 | 695.83 | 388.00 | 435.00 | 257.50 | 994.25 | 233.67 | 453.60 | |
1-monostearin | 259.50 | 408.50 | 289.00 | 539.56 | 480.00 | 461.00 | 381.00 | 341.50 | 313.20 | 489.17 | 295.00 | 378.55 | 195.50 | 679.50 | 258.00 | 363.00 | |
233005 carbohydrate | 268.00 | 1129.25 | 1180.71 | 916.67 | 310.50 | 1381.50 | 1002.00 | 642.25 | 573.40 | 940.39 | 1012.17 | 1211.18 | 643.50 | 902.25 | 648.00 | 741.20 | |
2,3-dihydroxybutanoic acid NIST | 172.00 | 288.75 | 213.29 | 221.33 | 209.00 | 234.00 | 275.50 | 252.75 | 201.00 | 248.94 | 227.00 | 197.36 | 196.50 | 212.00 | 230.00 | 186.80 | |
2-hydroxybutanoic acid | 13725.00 | 19879.75 | 18666.00 | 36241.33 | 41141.50 | 24727.50 | 21935.00 | 24453.12 | 36967.80 | 23031.00 | 25211.17 | 33085.82 | 18255.00 | 31171.50 | 9371.00 | 18803.40 | |
2-hydroxyglutaric acid | 1819.00 | 767.75 | 757.57 | 846.78 | 951.00 | 726.00 | 1269.50 | 817.75 | 794.80 | 793.17 | 823.67 | 790.00 | 869.00 | 805.38 | 820.67 | 734.60 | |
2-hydroxyvaleric acid | 1598.50 | 1783.25 | 1967.00 | 2014.78 | 2462.00 | 1997.00 | 1977.00 | 1779.50 | 2346.80 | 2241.78 | 2137.67 | 2043.27 | 1715.00 | 1774.50 | 1966.67 | 2087.80 | |
2-ketoisocaproic acid | 3340.50 | 4263.25 | 5487.71 | 6427.67 | 4944.00 | 3365.00 | 5856.50 | 4926.00 | 6286.60 | 4376.78 | 4307.67 | 5100.82 | 3242.50 | 4462.75 | 3555.33 | 4287.20 | |
2-phenylpropanol NIST | 465.50 | 561.00 | 431.43 | 608.33 | 566.00 | 537.00 | 393.00 | 458.62 | 596.20 | 553.83 | 652.50 | 497.00 | 597.50 | 576.50 | 506.33 | 553.60 | |
302365 similar to beta-alanine minor | 649.50 | 955.25 | 1262.00 | 1381.56 | 1204.50 | 1286.00 | 1110.50 | 1247.00 | 963.20 | 1343.33 | 736.67 | 1334.45 | 654.00 | 1255.50 | 1150.00 | 2078.60 | |
3,6-anhydrogalactose | 254.50 | 171.00 | 214.71 | 256.89 | 266.00 | 231.50 | 244.00 | 199.50 | 318.60 | 200.50 | 224.67 | 264.45 | 130.00 | 196.50 | 271.67 | 226.60 | |
3-aminoisobutyric acid | 649.50 | 1026.00 | 1295.57 | 1387.44 | 1429.00 | 1042.50 | 859.00 | 1511.88 | 1309.40 | 1478.00 | 922.00 | 1330.91 | 654.00 | 1018.25 | 1192.67 | 2576.60 | |
3-hydroxybutanoic acid | 3801.50 | 22698.00 | 4088.14 | 15019.44 | 73501.00 | 18562.00 | 10815.50 | 7036.25 | 58969.40 | 13975.28 | 18529.83 | 13205.09 | 4169.00 | 18706.25 | 3247.67 | 4894.00 | |
4-hydroxyproline | 3625.00 | 6689.00 | 8007.86 | 6377.00 | 5497.50 | 6038.00 | 5090.00 | 5838.88 | 7017.20 | 7096.28 | 5334.83 | 6517.00 | 9081.50 | 8132.25 | 9123.67 | 6704.80 | |
5-methoxytryptamine | 234.00 | 442.50 | 336.43 | 422.56 | 203.50 | 374.50 | 328.50 | 305.38 | 418.80 | 375.33 | 318.33 | 351.00 | 503.00 | 325.50 | 394.33 | 284.00 | |
aconitic acid delta | 143.50 | 161.25 | 203.86 | 242.33 | 237.00 | 195.00 | 291.50 | 196.00 | 161.40 | 223.83 | 200.67 | 215.18 | 160.00 | 237.25 | 183.67 | 197.00 | |
alanine | 174914.50 | 287839.00 | 381689.00 | 430035.44 | 323633.00 | 363263.50 | 383657.50 | 356837.00 | 366382.20 | 307904.00 | 308508.17 | 420944.55 | 285647.00 | 400313.75 | 343814.67 | 326785.40 | |
alpha ketoglutaric acid | 572.00 | 258.75 | 312.57 | 390.33 | 224.50 | 496.50 | 212.00 | 258.12 | 338.40 | 235.28 | 237.83 | 300.64 | 162.50 | 195.62 | 176.00 | 242.40 | |
alpha-terpineol | 1172.50 | 1372.50 | 1570.71 | 1770.78 | 1506.50 | 1296.50 | 2028.50 | 2129.75 | 1580.60 | 1425.06 | 1523.50 | 2143.18 | 784.00 | 1778.25 | 2092.00 | 2014.80 | |
aminomalonic acid | 1159.50 | 4403.25 | 3151.57 | 3498.78 | 2647.00 | 5264.00 | 5139.00 | 2821.50 | 2851.60 | 4134.00 | 2947.33 | 4257.55 | 2393.50 | 4276.50 | 2055.33 | 4252.80 | |
arabinose | 625.00 | 464.25 | 564.71 | 526.56 | 706.50 | 384.00 | 977.50 | 618.25 | 534.60 | 697.17 | 524.67 | 713.73 | 621.50 | 678.12 | 590.00 | 377.40 | |
arabitol | 116.00 | 187.75 | 242.14 | 258.22 | 235.00 | 184.00 | 374.50 | 266.50 | 183.60 | 261.61 | 224.83 | 249.18 | 192.00 | 256.75 | 287.00 | 195.80 | |
arachidic acid | 1752.50 | 1372.00 | 1491.29 | 1850.89 | 783.00 | 1620.50 | 1957.50 | 1554.88 | 1498.20 | 1569.39 | 1317.67 | 1751.18 | 1197.50 | 1459.25 | 1050.33 | 1501.00 | |
arachidonic acid isomer | 3583.00 | 7882.25 | 5790.00 | 8897.44 | 8685.50 | 7502.50 | 10232.50 | 7966.75 | 8121.20 | 9569.28 | 7097.83 | 9460.27 | 9023.50 | 8827.12 | 10302.00 | 8020.20 | |
asparagine | 5796.50 | 8924.25 | 8024.86 | 7896.89 | 8138.50 | 8455.50 | 12480.00 | 8812.38 | 7880.00 | 8600.61 | 7450.50 | 8820.27 | 10712.50 | 11553.88 | 8037.00 | 9523.00 | |
aspartic acid | 7380.50 | 8459.00 | 8108.43 | 9207.89 | 9915.50 | 9695.50 | 11790.00 | 9353.00 | 10239.40 | 11119.78 | 7917.50 | 10270.00 | 17176.00 | 13649.75 | 8086.67 | 11176.20 | |
benzoic acid | 2884.50 | 4243.00 | 4520.86 | 3544.89 | 4334.50 | 3930.00 | 5836.50 | 4363.25 | 3917.40 | 4707.17 | 4171.83 | 4406.36 | 5374.00 | 4368.00 | 4096.00 | 4573.00 | |
beta-alanine | 757.50 | 1117.50 | 1095.43 | 1178.56 | 1322.00 | 1348.50 | 1319.00 | 1155.75 | 1183.60 | 1195.94 | 1289.50 | 1470.55 | 1792.50 | 2095.25 | 1019.33 | 1056.20 | |
beta-mannosylglycerate | 2463.50 | 3431.75 | 7325.29 | 6489.67 | 4039.50 | 3551.50 | 3270.00 | 6254.62 | 3850.00 | 5193.28 | 4653.00 | 5884.27 | 5487.50 | 6058.75 | 7268.67 | 6815.20 | |
capric acid | 1732.50 | 3066.00 | 2723.00 | 2188.44 | 3015.50 | 3917.50 | 4845.00 | 2482.75 | 2420.40 | 2450.28 | 2432.50 | 2922.64 | 2438.50 | 3338.88 | 2497.33 | 2309.40 | |
caprylic acid | 6124.00 | 1992.25 | 2121.43 | 1795.33 | 2084.00 | 2323.00 | 2880.00 | 1865.75 | 1902.80 | 2019.22 | 2250.67 | 2314.73 | 1875.00 | 2246.75 | 1707.33 | 2034.40 | |
cholesterol | 151191.50 | 354559.25 | 225786.29 | 377921.78 | 404781.00 | 254763.50 | 205039.50 | 298224.75 | 260951.00 | 309363.72 | 206993.33 | 294839.64 | 200430.00 | 239408.62 | 198577.00 | 238432.80 | |
citric acid | 17125.50 | 18054.00 | 17890.29 | 19774.56 | 20940.00 | 20420.50 | 24124.50 | 19200.12 | 17945.60 | 18993.33 | 15372.67 | 21367.45 | 15575.50 | 20315.38 | 15679.33 | 14623.20 | |
citrulline | 1415.50 | 2048.00 | 1767.00 | 1410.44 | 1359.50 | 1874.00 | 2364.00 | 1994.12 | 1611.00 | 1671.44 | 1748.17 | 2025.09 | 1629.50 | 2074.50 | 2563.67 | 2376.60 | |
conduritol-beta-epoxide minor | 1411.50 | 10919.00 | 12726.57 | 20586.33 | 916.00 | 2012.00 | 21516.50 | 15275.38 | 17596.80 | 11101.72 | 5676.83 | 15437.73 | 10819.50 | 6032.75 | 8732.00 | 7294.80 | |
conduritol beta expoxide minor | 280.00 | 755.50 | 853.57 | 738.11 | 344.50 | 1220.00 | 1363.50 | 723.62 | 659.00 | 896.94 | 1019.17 | 665.45 | 615.50 | 1153.62 | 972.33 | 629.20 | |
creatinine | 6793.00 | 8766.50 | 12141.43 | 11997.33 | 14873.00 | 13751.50 | 9968.00 | 11927.75 | 10827.40 | 14996.44 | 11269.33 | 12993.45 | 11288.00 | 14223.00 | 11766.00 | 13053.00 | |
cysteine | 4103.50 | 4291.00 | 5672.57 | 5164.22 | 6098.50 | 4752.50 | 3809.50 | 5518.25 | 6119.80 | 4784.50 | 5469.67 | 4771.55 | 3758.00 | 3836.62 | 4667.67 | 4042.40 | |
cysteine-glycine | 465.50 | 441.75 | 550.86 | 526.22 | 532.50 | 459.00 | 426.00 | 525.25 | 636.00 | 452.28 | 467.33 | 460.55 | 379.00 | 501.75 | 406.67 | 464.40 | |
cystine | 6149.50 | 7734.00 | 9321.86 | 8703.67 | 12649.50 | 6126.00 | 9585.50 | 12270.38 | 10440.80 | 8787.06 | 9788.67 | 8519.09 | 7572.50 | 8620.12 | 8807.33 | 7556.20 | |
dihydroabietic acid | 500.50 | 541.75 | 546.86 | 674.89 | 711.00 | 607.50 | 607.50 | 672.88 | 736.00 | 663.61 | 551.33 | 587.55 | 685.50 | 647.38 | 486.00 | 688.40 | |
erythritol | 534.00 | 854.25 | 1182.57 | 3570.67 | 816.50 | 1185.00 | 1923.00 | 20243.12 | 892.00 | 1116.83 | 1047.83 | 990.73 | 1056.00 | 1061.88 | 1331.67 | 869.60 | |
ethanolamine | 43968.50 | 2441.50 | 2233.14 | 2646.67 | 1954.50 | 2689.00 | 3369.50 | 2046.25 | 2731.00 | 2532.00 | 1828.83 | 2393.36 | 1965.50 | 2296.38 | 1617.33 | 2101.40 | |
fructose | 94083.00 | 73336.75 | 92700.00 | 137648.33 | 111207.50 | 69397.50 | 130110.00 | 74548.38 | 180179.80 | 78145.22 | 112290.50 | 111830.18 | 74206.50 | 65252.12 | 153786.33 | 70940.20 | |
fucose + rhamnose | 14061.00 | 1648.50 | 1697.57 | 1768.11 | 1779.50 | 1851.50 | 3477.00 | 1690.00 | 2028.80 | 2066.72 | 1721.00 | 1890.91 | 1327.50 | 1974.25 | 1304.00 | 1130.80 | |
fumaric acid | 565.50 | 567.50 | 522.43 | 592.44 | 691.50 | 523.00 | 701.50 | 581.12 | 599.60 | 644.39 | 586.33 | 713.91 | 546.50 | 525.50 | 1041.67 | 413.40 | |
galactonic acid | 277.00 | 436.50 | 552.14 | 420.00 | 511.00 | 389.00 | 719.50 | 470.25 | 604.60 | 520.28 | 457.17 | 476.45 | 417.00 | 408.50 | 358.67 | 632.40 | |
gamma-tocopherol | 865.50 | 1002.25 | 714.14 | 1205.78 | 1116.00 | 549.50 | 596.00 | 713.38 | 973.00 | 804.78 | 422.83 | 941.55 | 1384.50 | 551.38 | 590.33 | 789.00 | |
gluconic acid | 375.00 | 395.75 | 510.00 | 451.67 | 381.50 | 527.50 | 579.50 | 580.25 | 681.60 | 510.83 | 377.50 | 450.73 | 724.00 | 393.00 | 657.67 | 572.80 | |
glucose | 355849.00 | 304714.00 | 496912.00 | 597722.11 | 376714.00 | 360227.50 | 708967.00 | 353766.88 | 651790.40 | 352609.94 | 347840.17 | 462759.64 | 303957.00 | 357685.88 | 410728.00 | 336110.20 | |
glucuronic acid | 496.50 | 765.50 | 1148.71 | 1486.44 | 2052.00 | 890.00 | 1482.50 | 1075.75 | 824.80 | 1484.78 | 954.83 | 1168.27 | 886.00 | 1213.12 | 1539.67 | 1184.80 | |
glutamic acid | 13707.50 | 14796.00 | 21021.71 | 23113.67 | 18608.50 | 40100.50 | 32907.50 | 18212.00 | 20597.80 | 21156.06 | 17189.83 | 25572.00 | 32277.00 | 30227.75 | 17088.00 | 25653.00 | |
glutamine | 69666.50 | 103596.50 | 113479.43 | 104682.56 | 86844.00 | 102753.00 | 137845.00 | 126662.88 | 119076.20 | 117539.72 | 112988.17 | 110343.82 | 53752.50 | 126950.00 | 105936.00 | 112750.60 | |
glyceric acid | 1726.50 | 6080.25 | 6095.57 | 4922.00 | 3002.50 | 5814.00 | 7857.00 | 5697.75 | 5280.80 | 7842.78 | 5663.50 | 6774.45 | 7810.00 | 7614.75 | 8306.33 | 8639.40 | |
glycerol | 120358.00 | 34107.75 | 25440.29 | 31853.11 | 61608.50 | 58562.50 | 36444.00 | 24300.75 | 30858.80 | 27437.39 | 24742.17 | 34125.64 | 20216.50 | 50895.25 | 9483.33 | 29344.60 | |
glycerol-3-galactoside | 458.00 | 1060.25 | 845.43 | 915.33 | 338.50 | 2054.50 | 1733.50 | 820.00 | 710.60 | 1272.89 | 704.83 | 1014.73 | 637.00 | 842.62 | 500.00 | 967.80 | |
glycerol-alpha-phosphate | 4211.50 | 7762.75 | 7453.29 | 7844.33 | 10815.00 | 10465.00 | 14188.50 | 8868.38 | 8107.60 | 9649.33 | 7742.67 | 10961.18 | 8006.00 | 9356.62 | 9272.00 | 9982.40 | |
glycine | 128513.00 | 209825.75 | 199643.71 | 197576.78 | 197652.00 | 242956.00 | 313051.00 | 184248.25 | 184361.60 | 237831.89 | 165601.17 | 239884.91 | 212336.50 | 254736.50 | 136851.33 | 241404.60 | |
glycolic acid | 1769.00 | 1516.00 | 1606.14 | 1415.00 | 1589.00 | 1582.50 | 2598.50 | 1643.12 | 1748.80 | 1775.89 | 1814.17 | 1676.18 | 1342.00 | 1384.25 | 1984.33 | 1805.40 | |
heptadecanoic acid NIST | 545.50 | 839.75 | 762.71 | 735.11 | 2723.00 | 886.00 | 844.00 | 830.38 | 692.00 | 813.78 | 667.33 | 753.27 | 757.50 | 817.75 | 561.33 | 927.80 | |
histidine | 7773.50 | 11911.75 | 14701.57 | 12793.56 | 11932.50 | 18821.00 | 24199.50 | 12850.38 | 13143.20 | 13856.78 | 12314.50 | 15969.36 | 9818.50 | 20100.50 | 10345.00 | 15419.80 | |
hydroxylamine | 3680.00 | 2164.50 | 1955.86 | 1612.78 | 1319.50 | 2340.50 | 1847.00 | 1986.38 | 1702.80 | 1918.72 | 1475.33 | 1719.27 | 1764.50 | 1979.75 | 1782.67 | 1668.80 | |
indole-3-acetate | 1538.00 | 1512.75 | 1608.00 | 1386.89 | 1731.00 | 1981.00 | 904.00 | 2402.12 | 1178.60 | 2245.83 | 1779.67 | 2012.64 | 880.00 | 1770.75 | 1634.67 | 1426.20 | |
indole-3-lactate | 592.00 | 1021.50 | 1092.43 | 933.67 | 630.00 | 1175.00 | 851.00 | 1064.12 | 765.60 | 1115.83 | 1176.67 | 912.09 | 656.50 | 1007.88 | 956.33 | 838.80 | |
inosine | 300.00 | 284.00 | 246.29 | 270.89 | 255.00 | 288.50 | 192.00 | 922.00 | 247.20 | 1063.94 | 1180.33 | 377.18 | 2136.50 | 269.75 | 422.00 | 1252.40 | |
inositol myo- delta | 10898.50 | 11112.00 | 15417.14 | 12812.44 | 10605.00 | 20221.00 | 19160.50 | 12211.88 | 14250.00 | 17933.44 | 14935.83 | 13297.55 | 18170.00 | 16230.00 | 19804.67 | 13430.40 | |
inulobiose | 327.50 | 310.75 | 477.43 | 444.89 | 1818.50 | 352.00 | 632.00 | 759.62 | 322.80 | 552.44 | 314.83 | 490.73 | 402.50 | 607.12 | 663.67 | 352.60 | |
isocitric acid | 572.00 | 430.25 | 523.43 | 515.11 | 485.50 | 584.00 | 616.50 | 522.25 | 555.20 | 470.56 | 476.33 | 522.82 | 463.50 | 477.62 | 460.33 | 418.20 | |
isoleucine | 49816.00 | 47258.00 | 61844.14 | 57093.22 | 40327.00 | 55897.00 | 83592.50 | 50465.25 | 47229.40 | 58521.44 | 38820.00 | 64916.82 | 62944.50 | 79702.50 | 50666.00 | 53055.60 | |
isothreonic acid | 629.50 | 1119.75 | 1397.86 | 1191.11 | 1259.50 | 1293.00 | 2084.50 | 1462.38 | 1054.80 | 1396.56 | 1134.67 | 1272.00 | 1277.50 | 1514.62 | 1611.33 | 1272.20 | |
kynurenine | 174.50 | 218.00 | 215.29 | 226.78 | 221.50 | 259.50 | 322.50 | 317.38 | 265.60 | 269.50 | 264.50 | 332.27 | 272.50 | 244.12 | 283.33 | 203.20 | |
lactamide | 202.50 | 378.50 | 435.57 | 479.33 | 428.00 | 459.50 | 367.00 | 400.75 | 488.20 | 384.28 | 432.50 | 500.64 | 769.50 | 384.62 | 411.33 | 424.40 | |
lactic acid | 147906.50 | 381710.50 | 418426.00 | 502558.67 | 358290.50 | 640055.00 | 397643.00 | 364765.12 | 475700.40 | 421120.61 | 465785.50 | 540508.27 | 758639.50 | 426286.25 | 348285.00 | 564412.40 | |
lactobionic acid | 285.50 | 530.00 | 482.14 | 320.00 | 198.50 | 604.50 | 563.50 | 460.25 | 373.00 | 557.06 | 612.33 | 514.64 | 263.50 | 534.88 | 356.33 | 555.20 | |
lauric acid | 2127.00 | 3576.75 | 3412.29 | 3145.89 | 4458.50 | 4942.00 | 5393.00 | 3573.25 | 6594.80 | 3607.89 | 3156.83 | 3635.82 | 2632.00 | 4715.12 | 3231.33 | 3298.60 | |
leucine | 107359.00 | 107772.75 | 139041.43 | 126549.22 | 112515.00 | 146571.00 | 206984.50 | 113331.88 | 114630.60 | 136429.56 | 94577.83 | 143537.55 | 143307.00 | 191223.88 | 111720.33 | 134390.00 | |
levoglucosan | 333.00 | 279.50 | 721.00 | 444.22 | 331.50 | 325.50 | 809.50 | 704.38 | 652.20 | 517.11 | 955.00 | 326.82 | 278.00 | 657.25 | 531.00 | 2318.20 | |
linoleic acid | 865.50 | 4190.50 | 2944.29 | 4016.33 | 5216.00 | 6346.00 | 3258.00 | 3897.00 | 4468.20 | 3861.00 | 3178.67 | 3792.09 | 2631.00 | 5457.12 | 1636.33 | 4250.80 | |
lysine | 29875.50 | 51514.25 | 56986.71 | 64160.44 | 59597.00 | 74229.50 | 104356.50 | 66469.75 | 52179.20 | 66372.33 | 55435.00 | 78822.64 | 63496.50 | 77031.88 | 55826.33 | 61501.80 | |
maleimide | 1989.50 | 2501.50 | 3066.00 | 4793.22 | 3152.50 | 2092.00 | 2458.00 | 3583.38 | 2837.80 | 3398.78 | 2525.50 | 3442.55 | 3748.00 | 3217.75 | 2797.67 | 2840.60 | |
malic acid | 543.50 | 368.75 | 399.57 | 473.22 | 415.50 | 483.00 | 443.50 | 359.25 | 446.00 | 398.06 | 380.00 | 421.91 | 574.50 | 399.00 | 318.33 | 391.80 | |
maltose | 832.00 | 274.00 | 266.57 | 334.11 | 201.00 | 266.50 | 241.50 | 255.50 | 431.20 | 559.56 | 252.00 | 327.73 | 452.50 | 305.88 | 343.33 | 569.60 | |
mannose | 9996.00 | 13884.50 | 15936.71 | 20330.89 | 18888.00 | 14159.00 | 21122.00 | 15317.00 | 30748.40 | 14844.00 | 16186.17 | 16809.73 | 14602.00 | 13806.12 | 23320.00 | 12471.60 | |
methanolphosphate | 509.00 | 1018.50 | 795.86 | 901.00 | 926.00 | 1132.00 | 747.50 | 673.50 | 802.20 | 1060.83 | 589.33 | 904.82 | 711.00 | 931.00 | 829.67 | 992.60 | |
methionine | 3324.00 | 5163.50 | 5865.71 | 5277.11 | 4482.00 | 5612.00 | 8509.50 | 5569.38 | 4732.00 | 5536.56 | 4672.33 | 6264.91 | 5495.50 | 8058.38 | 4955.67 | 5499.80 | |
methylhexadecanoic acid | 1884.50 | 2880.50 | 2564.00 | 2858.00 | 3136.00 | 3552.00 | 3742.50 | 2812.12 | 2787.60 | 2986.72 | 2758.50 | 2921.36 | 2211.50 | 3128.12 | 1697.67 | 2740.20 | |
monoolein | 775.50 | 1536.25 | 1314.43 | 1503.33 | 2066.00 | 1529.50 | 1557.50 | 1594.38 | 1127.00 | 1626.78 | 1354.50 | 1204.36 | 1250.50 | 1594.75 | 937.00 | 1638.80 | |
myristic acid | 968.50 | 2507.75 | 1925.71 | 2054.89 | 3163.50 | 3842.00 | 3474.50 | 2217.38 | 2802.60 | 2087.00 | 2041.00 | 2260.73 | 1153.50 | 3095.38 | 912.33 | 2155.20 | |
N-acetylglycine NIST | 228.50 | 213.25 | 202.29 | 243.22 | 230.00 | 328.50 | 162.50 | 188.62 | 331.60 | 283.28 | 186.00 | 235.73 | 262.00 | 231.38 | 138.00 | 246.40 | |
N-acetylmannosamine minor2 | 120.00 | 199.75 | 258.29 | 159.56 | 219.00 | 245.50 | 241.50 | 231.12 | 327.20 | 260.28 | 221.50 | 163.00 | 176.00 | 258.12 | 227.00 | 137.80 | |
N-methylalanine | 9680.50 | 18282.00 | 15182.86 | 17904.11 | 25689.50 | 13683.50 | 16054.50 | 15536.75 | 21450.60 | 16586.67 | 16305.83 | 18681.73 | 19977.50 | 18813.38 | 9512.00 | 12603.40 | |
octadecanol | 232.00 | 219.50 | 308.57 | 285.00 | 269.00 | 264.00 | 302.50 | 272.75 | 252.60 | 254.33 | 254.17 | 255.27 | 361.50 | 273.50 | 234.67 | 364.80 | |
oleic acid | 1472.50 | 12116.25 | 4668.29 | 10442.67 | 18579.00 | 18918.50 | 7573.00 | 8314.62 | 12137.60 | 9415.28 | 7448.00 | 8527.73 | 7471.50 | 17059.12 | 2030.33 | 8808.80 | |
ornithine | 84614.50 | 48513.75 | 54779.71 | 45185.33 | 50527.00 | 59794.00 | 72603.00 | 49823.38 | 45055.00 | 58811.67 | 45271.67 | 54369.00 | 73171.00 | 73715.38 | 53383.67 | 57250.60 | |
oxalic acid | 14280.50 | 19269.25 | 12264.00 | 12941.67 | 28801.50 | 18180.50 | 19138.50 | 14520.25 | 13116.20 | 18407.61 | 21869.83 | 15610.55 | 20213.00 | 20061.88 | 14372.33 | 16242.00 | |
oxoproline | 47917.50 | 99892.25 | 103901.43 | 95771.78 | 98687.00 | 92921.00 | 125173.00 | 95255.12 | 91771.00 | 98649.22 | 74559.83 | 100903.09 | 120923.00 | 113607.25 | 120881.33 | 89158.40 | |
palmitic acid | 25485.50 | 43594.75 | 34538.86 | 44443.44 | 46310.50 | 62931.50 | 54002.50 | 42969.12 | 47091.80 | 41431.78 | 43949.50 | 41298.27 | 29752.00 | 52721.38 | 22674.00 | 42958.40 | |
palmitoleic acid | 942.50 | 7062.25 | 1848.43 | 3994.56 | 9200.50 | 10797.50 | 2168.50 | 4119.00 | 4215.20 | 4433.06 | 3751.50 | 4223.00 | 1504.50 | 10481.12 | 1956.33 | 4659.20 | |
pelargonic acid | 6969.50 | 11888.00 | 10144.14 | 9120.00 | 9526.00 | 10945.50 | 14705.50 | 9711.62 | 10902.00 | 10768.28 | 11643.67 | 10251.73 | 13507.00 | 10581.12 | 9555.67 | 11403.20 | |
phenylalanine | 21596.50 | 26597.75 | 29967.86 | 29349.78 | 28247.00 | 34936.00 | 46415.50 | 28803.75 | 26117.80 | 30743.67 | 25108.00 | 35060.91 | 34443.50 | 38637.88 | 24315.67 | 33986.40 | |
phenylethylamine | 360.50 | 436.00 | 611.71 | 330.89 | 582.00 | 865.50 | 632.00 | 417.25 | 595.60 | 630.39 | 770.33 | 565.45 | 595.00 | 559.50 | 740.67 | 445.00 | |
pipecolic acid | 734.00 | 1248.00 | 1386.86 | 1300.89 | 790.50 | 2221.50 | 1964.00 | 1054.12 | 1000.00 | 1084.56 | 1243.33 | 1267.55 | 771.50 | 994.88 | 997.67 | 832.00 | |
proline | 151418.50 | 167349.25 | 256607.14 | 196511.89 | 119152.00 | 165293.50 | 290044.00 | 207273.00 | 145749.20 | 172465.22 | 147108.67 | 214498.73 | 118767.00 | 216777.00 | 167551.67 | 152136.20 | |
pseudo uridine | 1039.50 | 1319.25 | 2178.29 | 1699.44 | 2032.00 | 1941.00 | 2103.50 | 2031.50 | 1748.20 | 2141.17 | 1736.00 | 1750.73 | 1918.00 | 1885.38 | 2031.00 | 1701.00 | |
quinic acid | 276.00 | 1188.50 | 975.57 | 956.22 | 1217.00 | 936.00 | 2004.50 | 1679.88 | 1005.80 | 1563.33 | 1380.67 | 1687.82 | 626.00 | 964.88 | 1670.33 | 1081.20 | |
ribitol | 561.00 | 361.00 | 398.71 | 372.00 | 567.50 | 632.50 | 1012.50 | 455.62 | 450.20 | 581.61 | 431.33 | 593.73 | 479.00 | 450.50 | 472.33 | 401.20 | |
ribose | 319.50 | 238.75 | 177.14 | 244.56 | 271.50 | 141.50 | 150.00 | 270.62 | 252.00 | 504.44 | 244.83 | 186.45 | 1146.00 | 229.50 | 191.67 | 433.20 | |
salicylic acid | 365.50 | 271.25 | 2269.29 | 15473.22 | 395.50 | 1340.50 | 368.50 | 1261.88 | 345.00 | 7981.89 | 2406.00 | 1705.36 | 62537.50 | 907.50 | 8050.00 | 372.20 | |
serine | 50709.50 | 50351.50 | 48041.86 | 43351.78 | 49180.50 | 56772.00 | 77815.50 | 51028.88 | 51104.60 | 60394.11 | 42214.50 | 61912.64 | 56910.50 | 71898.38 | 35228.33 | 57217.80 | |
shikimic acid | 1578.00 | 2831.00 | 2751.71 | 2201.00 | 1481.00 | 1984.00 | 1874.00 | 2786.88 | 2635.20 | 1941.72 | 2350.67 | 2896.55 | 2643.50 | 1645.38 | 3457.67 | 1619.20 | |
stearic acid | 143039.50 | 153058.00 | 141897.86 | 157777.00 | 120832.00 | 177910.50 | 214780.00 | 177502.00 | 154964.40 | 157676.39 | 165997.83 | 159252.64 | 122941.50 | 167948.50 | 97906.00 | 162637.20 | |
succinic acid | 2301.00 | 646.75 | 838.86 | 635.33 | 644.50 | 1007.50 | 1043.50 | 648.38 | 594.80 | 808.39 | 705.33 | 885.00 | 828.50 | 695.38 | 495.00 | 753.00 | |
sucrose | 2118.50 | 119.25 | 394.57 | 191.00 | 108.50 | 188.50 | 170.50 | 204.88 | 126.00 | 236.83 | 193.00 | 332.82 | 236.00 | 211.75 | 282.67 | 821.60 | |
tagatose | 6565.00 | 6228.75 | 6561.43 | 9184.67 | 10647.50 | 5568.00 | 8717.00 | 6325.62 | 11807.00 | 6757.11 | 8931.00 | 9058.00 | 5861.50 | 5401.75 | 13432.33 | 5965.40 | |
taurine | 9444.50 | 11949.00 | 8124.00 | 10993.67 | 12697.00 | 11234.00 | 10051.50 | 11236.00 | 10788.80 | 12319.78 | 9618.33 | 11479.55 | 22838.00 | 11583.00 | 5917.00 | 11956.60 | |
threonic acid | 904.50 | 2606.75 | 2124.86 | 2077.00 | 1197.50 | 1486.00 | 1266.50 | 2775.25 | 3139.40 | 3932.33 | 2639.17 | 1872.27 | 1184.00 | 2695.25 | 4386.33 | 2711.40 | |
threonine | 21663.00 | 43923.50 | 39031.57 | 33812.22 | 30509.00 | 37687.50 | 48213.00 | 36127.62 | 29730.40 | 37806.11 | 29871.50 | 40860.09 | 36659.50 | 47235.25 | 34607.67 | 31522.20 | |
tocopherol alpha | 2397.00 | 6766.25 | 6307.86 | 7475.44 | 6217.50 | 6549.00 | 7055.50 | 7378.12 | 6981.80 | 8454.50 | 5781.50 | 7495.18 | 5065.00 | 6917.50 | 6723.33 | 8003.60 | |
trans-4-hydroxyproline | 1090.50 | 959.50 | 971.71 | 1133.44 | 840.00 | 1265.50 | 1105.00 | 862.12 | 1215.00 | 1221.00 | 1279.50 | 1084.55 | 1442.50 | 1126.38 | 1192.00 | 979.60 | |
tryptophan | 32815.50 | 48185.25 | 65625.00 | 54516.11 | 40597.00 | 61816.50 | 72797.50 | 64910.25 | 53295.00 | 59906.39 | 55437.50 | 64914.00 | 52091.00 | 66446.88 | 49636.00 | 63265.60 | |
tyrosine | 47148.50 | 43905.75 | 54050.86 | 58647.56 | 48530.50 | 52248.00 | 86298.00 | 65878.25 | 47350.80 | 54097.56 | 47420.50 | 64596.18 | 52881.00 | 73664.38 | 51540.67 | 54645.80 | |
urea | 157642.50 | 280275.50 | 430868.00 | 231056.78 | 210982.00 | 309592.50 | 371021.00 | 361005.88 | 261806.80 | 393401.94 | 379052.00 | 224421.45 | 279154.50 | 295481.25 | 504242.00 | 227021.20 | |
uric acid | 27018.00 | 16181.50 | 49582.29 | 56600.00 | 59879.00 | 69103.00 | 42495.50 | 50392.38 | 50825.00 | 54573.72 | 60284.83 | 53966.64 | 59829.00 | 39725.88 | 41875.67 | 44106.60 | |
uridine | 116.50 | 91.00 | 175.00 | 160.33 | 198.00 | 143.50 | 167.50 | 212.75 | 200.20 | 224.67 | 164.17 | 177.55 | 268.00 | 117.62 | 153.00 | 262.20 | |
valine | 141404.00 | 181338.25 | 208104.86 | 195784.56 | 160228.00 | 188175.00 | 249756.00 | 177946.75 | 195086.00 | 205569.28 | 155959.00 | 216207.82 | 233231.50 | 238934.62 | 171936.67 | 175133.00 | |
xanthine | 373.00 | 278.50 | 323.71 | 375.56 | 425.50 | 351.50 | 340.50 | 318.38 | 259.40 | 318.00 | 330.00 | 355.64 | 383.00 | 261.75 | 256.00 | 320.80 | |
xylitol | 313.50 | 380.50 | 353.43 | 406.89 | 358.50 | 325.00 | 266.50 | 319.50 | 292.60 | 580.28 | 284.67 | 367.18 | 298.00 | 303.75 | 395.00 | 382.60 | |
xylose | 1193.50 | 1060.25 | 1575.71 | 1197.56 | 1518.50 | 1524.50 | 929.50 | 1455.25 | 1480.60 | 1458.50 | 1915.17 | 1463.09 | 2032.50 | 1546.25 | 1839.33 | 1222.40 |
Factors:
F1 | Smoking Status:Current | Gender:Female | Emphysema/COPD:No | Group:Benign |
F2 | Smoking Status:Current | Gender:Female | Emphysema/COPD:No | Group:Cancer |
F3 | Smoking Status:Current | Gender:Female | Emphysema/COPD:Yes | Group:Benign |
F4 | Smoking Status:Current | Gender:Female | Emphysema/COPD:Yes | Group:Cancer |
F5 | Smoking Status:Current | Gender:Male | Emphysema/COPD:No | Group:Benign |
F6 | Smoking Status:Current | Gender:Male | Emphysema/COPD:No | Group:Cancer |
F7 | Smoking Status:Current | Gender:Male | Emphysema/COPD:Yes | Group:Benign |
F8 | Smoking Status:Current | Gender:Male | Emphysema/COPD:Yes | Group:Cancer |
F9 | Smoking Status:Former | Gender:Female | Emphysema/COPD:No | Group:Benign |
F10 | Smoking Status:Former | Gender:Female | Emphysema/COPD:No | Group:Cancer |
F11 | Smoking Status:Former | Gender:Female | Emphysema/COPD:Yes | Group:Benign |
F12 | Smoking Status:Former | Gender:Female | Emphysema/COPD:Yes | Group:Cancer |
F13 | Smoking Status:Former | Gender:Male | Emphysema/COPD:No | Group:Benign |
F14 | Smoking Status:Former | Gender:Male | Emphysema/COPD:No | Group:Cancer |
F15 | Smoking Status:Former | Gender:Male | Emphysema/COPD:Yes | Group:Benign |
F16 | Smoking Status:Former | Gender:Male | Emphysema/COPD:Yes | Group:Cancer |