Data for ST000392
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 | F17 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,5-anhydroglucitol | 18475.50 | 19248.12 | 22787.93 | 20037.65 | 17656.00 | 18234.62 | 21424.71 | 23951.35 | 19214.50 | 18883.75 | 23172.86 | 19241.41 | 17372.50 | 16365.75 | 22103.71 | 24855.12 | 21489.79 | |
1-monostearin | 155.00 | 214.38 | 850.50 | 3136.24 | 155.00 | 173.38 | 166.29 | 155.65 | 220.00 | 971.62 | 477.29 | 603.88 | 75.00 | 247.12 | 192.50 | 2048.88 | 164.05 | |
2,3-dihydroxybutanoic acid NIST | 128.00 | 105.00 | 123.00 | 113.65 | 111.00 | 113.50 | 101.86 | 115.00 | 80.00 | 102.88 | 111.00 | 90.12 | 115.50 | 108.50 | 111.50 | 116.35 | 117.79 | |
2,4-diaminobutyric acid | 649.00 | 709.88 | 596.00 | 701.53 | 1211.50 | 535.88 | 651.43 | 538.47 | 72.50 | 166.38 | 108.50 | 101.18 | 123.50 | 118.00 | 161.07 | 151.12 | 899.74 | |
2-deoxyerythritol | 308.00 | 397.12 | 292.93 | 395.59 | 147.00 | 479.75 | 345.00 | 269.41 | 281.00 | 333.62 | 255.86 | 344.24 | 215.00 | 417.38 | 308.79 | 254.76 | 385.53 | |
2-deoxytetronic acid | 150.50 | 237.75 | 214.36 | 230.59 | 149.00 | 139.50 | 204.71 | 174.82 | 190.00 | 249.25 | 257.14 | 245.65 | 175.50 | 185.00 | 220.36 | 177.24 | 186.32 | |
2-hydroxybutanoic acid | 14677.50 | 16899.12 | 14715.29 | 14590.06 | 9800.50 | 12934.75 | 16261.00 | 17709.18 | 17812.00 | 19193.00 | 16745.57 | 16533.47 | 12851.50 | 14491.88 | 19738.21 | 19974.00 | 14413.05 | |
2-hydroxyglutaric acid | 108.50 | 87.50 | 141.00 | 311.06 | 66.00 | 1068.88 | 92.93 | 76.12 | 80.00 | 108.88 | 105.71 | 85.65 | 99.00 | 159.25 | 119.71 | 91.24 | 146.89 | |
2-hydroxyhippuric acid | 63.50 | 102.00 | 70.71 | 304.53 | 37.00 | 73.50 | 67.07 | 117.41 | 40.50 | 92.00 | 73.71 | 230.53 | 53.50 | 72.00 | 71.21 | 109.29 | 543.68 | |
2-hydroxyvaleric acid | 529.00 | 837.88 | 1476.14 | 1027.35 | 499.50 | 846.75 | 1025.57 | 788.88 | 1021.00 | 845.88 | 1354.43 | 997.53 | 744.50 | 784.88 | 1108.07 | 1115.76 | 907.26 | |
2-ketoglucose dimethylacetal NIST | 76.00 | 100.38 | 117.93 | 95.76 | 87.00 | 172.50 | 99.29 | 110.88 | 72.50 | 68.62 | 72.43 | 66.29 | 79.00 | 61.38 | 53.64 | 59.94 | 143.37 | |
2-ketoisocaproic acid | 5998.00 | 5499.62 | 6303.00 | 4990.41 | 5249.00 | 5450.75 | 6491.93 | 6287.71 | 6210.00 | 4427.25 | 4129.29 | 3203.41 | 3289.00 | 3383.75 | 4488.79 | 4461.82 | 6042.21 | |
3-(3-hydroxyphenyl)propionic acid | 88.50 | 187.75 | 98.36 | 82.59 | 132.00 | 88.12 | 215.50 | 117.41 | 75.00 | 181.62 | 91.43 | 74.24 | 107.00 | 86.38 | 221.93 | 127.12 | 126.05 | |
3-aminoisobutyric acid | 575.50 | 864.12 | 684.29 | 665.00 | 858.50 | 712.88 | 596.43 | 709.71 | 687.50 | 732.25 | 692.64 | 698.41 | 868.50 | 669.50 | 654.14 | 736.76 | 661.79 | |
3-hydroxybutanoic acid | 768.50 | 725.12 | 628.86 | 746.12 | 566.50 | 721.88 | 914.00 | 876.18 | 951.00 | 722.25 | 684.64 | 772.65 | 603.00 | 753.25 | 987.64 | 965.94 | 1249.84 | |
3-hydroxybutyric acid | 1971.00 | 7579.75 | 10188.86 | 26613.24 | 3233.50 | 7810.38 | 12356.29 | 8866.35 | 2311.50 | 7861.62 | 10417.50 | 28160.94 | 3560.00 | 7993.25 | 12862.29 | 9150.53 | 11399.26 | |
3-phosphoglycerate | 112.00 | 106.50 | 130.86 | 129.41 | 70.50 | 89.88 | 59.86 | 66.88 | 36.00 | 54.00 | 54.64 | 51.35 | 39.00 | 52.75 | 51.21 | 54.29 | 100.21 | |
5-hydroxynorvaline NIST | 85.50 | 212.75 | 148.29 | 182.00 | 387.00 | 234.88 | 336.36 | 193.12 | 85.00 | 221.00 | 176.93 | 204.18 | 365.50 | 242.38 | 359.93 | 205.12 | 214.26 | |
5-methoxytryptamine | 214.00 | 166.00 | 338.36 | 281.71 | 67.00 | 130.12 | 82.93 | 79.59 | 349.50 | 256.00 | 295.43 | 242.41 | 78.00 | 126.88 | 186.71 | 277.76 | 262.21 | |
acetoacetate | 416.00 | 338.75 | 458.07 | 490.47 | 416.50 | 349.38 | 479.29 | 536.53 | 389.00 | 308.62 | 327.14 | 363.18 | 355.50 | 260.12 | 430.07 | 431.53 | 486.68 | |
aconitic acid | 144.00 | 145.50 | 147.00 | 128.94 | 131.50 | 155.25 | 137.64 | 144.88 | 111.00 | 106.00 | 114.86 | 109.12 | 84.50 | 125.00 | 111.21 | 119.53 | 134.58 | |
adenosine-5-monophosphate | 179.00 | 467.88 | 470.07 | 469.53 | 183.50 | 271.25 | 121.14 | 86.82 | 45.00 | 76.00 | 53.14 | 102.35 | 45.00 | 53.88 | 97.36 | 60.76 | 182.16 | |
alanine | 204777.50 | 215425.38 | 176012.64 | 182859.00 | 234389.00 | 184734.12 | 185942.57 | 208995.41 | 238011.50 | 238159.00 | 209489.14 | 218205.53 | 258885.00 | 208672.75 | 212319.43 | 239767.47 | 179183.63 | |
alloxanoic acid NIST | 133.00 | 213.75 | 147.29 | 205.65 | 233.50 | 191.00 | 168.93 | 142.65 | 63.00 | 52.00 | 54.79 | 44.12 | 65.00 | 67.25 | 53.93 | 45.06 | 233.05 | |
alpha-ketoglutarate | 320.50 | 376.62 | 338.14 | 359.82 | 308.50 | 228.50 | 284.14 | 272.94 | 204.00 | 205.12 | 133.57 | 167.76 | 124.00 | 113.25 | 133.86 | 135.18 | 308.32 | |
aminomalonate | 968.50 | 1758.38 | 1432.43 | 1451.94 | 2070.00 | 1993.00 | 1679.64 | 1326.06 | 858.50 | 1275.38 | 1275.07 | 1103.82 | 1517.00 | 1105.25 | 1358.36 | 1113.59 | 1602.68 | |
arabitol | 180.00 | 545.25 | 405.14 | 464.65 | 1482.50 | 340.88 | 368.50 | 405.06 | 248.50 | 483.25 | 398.79 | 420.82 | 1287.50 | 315.38 | 407.14 | 393.71 | 405.63 | |
arachidic acid | 2276.00 | 2551.25 | 2762.14 | 2107.65 | 2790.50 | 2417.88 | 2882.64 | 2374.29 | 1147.00 | 997.12 | 1064.86 | 797.24 | 1378.50 | 2488.12 | 956.29 | 1090.18 | 2522.89 | |
arachidonic acid | 265.00 | 520.00 | 395.43 | 494.53 | 545.50 | 890.25 | 446.21 | 438.94 | 215.00 | 771.12 | 668.43 | 750.00 | 624.00 | 1204.12 | 655.50 | 464.71 | 464.26 | |
asparagine | 1077.00 | 904.75 | 829.29 | 885.47 | 1032.50 | 1023.62 | 1111.71 | 1139.76 | 1632.00 | 1561.12 | 1677.07 | 1646.12 | 1422.00 | 1791.25 | 1775.21 | 1696.47 | 917.11 | |
aspartic acid | 717.00 | 762.50 | 834.07 | 758.59 | 1067.00 | 563.38 | 482.00 | 495.65 | 2399.50 | 2488.12 | 4572.86 | 4317.88 | 1715.00 | 1615.88 | 1543.71 | 1363.00 | 699.79 | |
azelaic acid | 89.00 | 66.88 | 69.79 | 66.18 | 67.50 | 69.75 | 60.79 | 62.24 | 101.50 | 196.62 | 157.64 | 247.47 | 112.50 | 191.88 | 130.86 | 125.12 | 69.42 | |
behenic acid | 281.50 | 374.75 | 374.86 | 363.29 | 455.00 | 445.75 | 553.86 | 361.12 | 362.00 | 327.50 | 373.07 | 294.41 | 334.50 | 1317.00 | 661.00 | 346.24 | 405.26 | |
benzoic acid | 1582.00 | 1775.12 | 1740.36 | 1880.35 | 1811.00 | 2427.50 | 2043.14 | 1957.82 | 1388.00 | 1816.75 | 1667.71 | 1663.47 | 1748.50 | 2214.50 | 1744.36 | 1777.24 | 2086.21 | |
beta-alanine | 446.00 | 481.62 | 388.57 | 331.18 | 248.50 | 344.50 | 245.86 | 301.59 | 597.00 | 741.38 | 510.93 | 456.53 | 312.00 | 413.12 | 339.29 | 374.71 | 321.68 | |
butane-2,3-diol NIST | 324.00 | 358.38 | 403.93 | 340.82 | 217.00 | 283.12 | 328.86 | 271.88 | 303.50 | 359.25 | 431.36 | 339.29 | 225.00 | 267.38 | 342.43 | 396.71 | 318.95 | |
butyrolactam NIST | 154.50 | 132.62 | 147.14 | 297.06 | 153.50 | 166.12 | 146.21 | 151.00 | 340.00 | 311.62 | 276.50 | 399.29 | 328.50 | 191.12 | 241.50 | 309.53 | 161.53 | |
capric acid | 236.00 | 312.75 | 235.14 | 268.71 | 271.00 | 203.00 | 259.71 | 261.47 | 243.00 | 272.50 | 225.71 | 246.65 | 274.50 | 207.75 | 243.79 | 248.12 | 250.37 | |
caprylic acid | 487.50 | 582.38 | 563.93 | 684.53 | 602.50 | 697.50 | 747.71 | 636.65 | 493.50 | 670.62 | 679.00 | 633.12 | 615.00 | 622.25 | 604.14 | 567.94 | 515.79 | |
cellobiose | 399.50 | 153.00 | 254.57 | 260.41 | 140.00 | 164.50 | 193.57 | 210.65 | 459.00 | 172.12 | 259.36 | 263.00 | 143.50 | 128.50 | 180.43 | 203.12 | 180.58 | |
cholesterol | 105673.00 | 95846.88 | 105429.29 | 95099.00 | 112465.00 | 112968.50 | 111683.14 | 98279.53 | 92814.50 | 75280.50 | 75816.50 | 66915.47 | 80413.00 | 81703.00 | 87949.86 | 86547.59 | 108860.26 | |
citric acid | 14196.50 | 20469.38 | 18138.43 | 18121.24 | 21164.00 | 20891.62 | 18286.14 | 19063.59 | 8053.50 | 12075.00 | 10807.93 | 10856.24 | 12478.50 | 12254.50 | 10912.50 | 11331.35 | 18236.42 | |
citrulline | 714.00 | 520.12 | 570.36 | 547.65 | 722.00 | 553.38 | 865.86 | 775.29 | 906.00 | 990.88 | 1219.29 | 1138.47 | 848.00 | 1037.50 | 1063.36 | 1037.29 | 531.58 | |
conduritol-beta-epoxide | 72.50 | 524.88 | 325.50 | 457.18 | 73.50 | 105.38 | 158.64 | 171.24 | 82.50 | 520.75 | 362.36 | 449.82 | 69.00 | 90.88 | 167.07 | 163.35 | 228.21 | |
creatinine | 3513.50 | 3356.12 | 3494.21 | 3307.24 | 2444.00 | 3303.00 | 3845.79 | 4085.06 | 6620.00 | 8440.12 | 7752.00 | 7437.59 | 6985.50 | 7760.00 | 7740.57 | 7967.18 | 2967.79 | |
cysteine | 1038.00 | 998.38 | 1189.71 | 902.53 | 1013.00 | 802.12 | 739.93 | 1402.88 | 2220.50 | 1543.75 | 1454.21 | 1330.82 | 2128.50 | 1422.62 | 1645.93 | 1867.88 | 1105.37 | |
cysteine-glycine | 164.00 | 183.50 | 244.29 | 175.29 | 214.00 | 167.38 | 148.36 | 177.76 | 200.00 | 164.62 | 200.86 | 162.24 | 273.50 | 189.75 | 183.86 | 223.18 | 194.37 | |
cystine | 8830.00 | 8346.00 | 7325.14 | 7752.35 | 11259.00 | 7254.00 | 9741.93 | 10143.18 | 8609.50 | 9407.50 | 8934.71 | 9757.35 | 10801.50 | 8273.62 | 9966.07 | 10482.12 | 7711.37 | |
dehydroascorbic acid | 313.50 | 368.88 | 455.36 | 405.71 | 359.00 | 384.88 | 423.21 | 446.59 | 1022.50 | 429.62 | 938.00 | 506.88 | 849.00 | 432.00 | 731.43 | 953.18 | 421.47 | |
deoxypentitol | 242.00 | 217.62 | 290.29 | 223.82 | 200.00 | 147.50 | 205.93 | 262.06 | 174.50 | 255.75 | 406.57 | 353.47 | 195.00 | 190.38 | 233.57 | 234.00 | 235.89 | |
diglycerol | 549.00 | 526.25 | 522.57 | 608.06 | 452.00 | 1054.62 | 519.07 | 491.82 | 476.00 | 608.38 | 741.14 | 757.29 | 493.00 | 1810.38 | 660.07 | 473.76 | 466.74 | |
dodecanol | 103.00 | 126.50 | 107.86 | 112.59 | 105.00 | 132.12 | 117.07 | 116.71 | 132.00 | 112.50 | 119.07 | 117.94 | 114.50 | 121.00 | 104.14 | 104.59 | 129.11 | |
epsilon-caprolactam | 409.50 | 656.88 | 737.36 | 548.24 | 969.50 | 588.00 | 630.07 | 582.76 | 566.50 | 528.00 | 688.71 | 572.94 | 554.50 | 507.75 | 842.00 | 707.35 | 510.53 | |
erythritol | 1315.50 | 1394.88 | 1578.71 | 2581.24 | 1341.00 | 1461.75 | 3474.86 | 1354.29 | 1360.00 | 1421.38 | 1565.86 | 2676.47 | 1253.50 | 1403.88 | 3594.29 | 1396.29 | 1975.79 | |
fructose | 8072.00 | 2269.88 | 2916.50 | 4003.76 | 284.50 | 15979.12 | 7486.86 | 4885.94 | 8338.00 | 2839.62 | 3997.71 | 4630.29 | 466.50 | 20454.88 | 16173.57 | 3653.47 | 7022.84 | |
fucose | 397.00 | 623.62 | 598.14 | 529.18 | 843.50 | 545.88 | 629.07 | 533.82 | 505.50 | 644.25 | 628.71 | 535.88 | 889.50 | 527.00 | 621.57 | 534.59 | 542.53 | |
fumaric acid | 152.00 | 154.00 | 155.07 | 141.12 | 126.00 | 175.50 | 150.57 | 154.29 | 257.00 | 241.75 | 268.43 | 230.35 | 187.00 | 269.50 | 235.86 | 260.18 | 179.05 | |
galactinol | 234.50 | 52.25 | 53.07 | 63.24 | 44.00 | 59.62 | 64.29 | 72.35 | 209.50 | 58.75 | 54.29 | 58.88 | 62.00 | 57.88 | 58.00 | 72.41 | 71.53 | |
galactitol | 9048.00 | 332.25 | 570.64 | 745.06 | 642.50 | 352.25 | 362.50 | 2903.65 | 141.50 | 372.12 | 562.57 | 719.53 | 625.00 | 369.00 | 366.29 | 1867.12 | 632.21 | |
glucoheptulose | 54.00 | 99.62 | 90.93 | 90.18 | 59.50 | 104.38 | 106.64 | 108.88 | 189.50 | 89.25 | 151.36 | 128.35 | 205.50 | 95.75 | 157.00 | 156.35 | 93.21 | |
gluconic acid | 145.00 | 105.50 | 95.00 | 160.59 | 145.50 | 100.75 | 108.14 | 141.65 | 171.50 | 109.25 | 113.29 | 257.94 | 152.50 | 84.12 | 109.71 | 135.00 | 190.53 | |
glucose | 233121.50 | 207913.25 | 214782.43 | 205483.29 | 232495.00 | 221328.62 | 237561.14 | 227742.00 | 228668.00 | 198763.62 | 212210.43 | 194203.47 | 212357.00 | 203622.25 | 219318.07 | 221388.06 | 212205.53 | |
glutamic acid | 4378.00 | 4777.75 | 6170.29 | 5374.35 | 3374.50 | 2612.38 | 4425.57 | 5631.65 | 4992.00 | 5478.38 | 9405.86 | 7869.24 | 3850.00 | 3464.62 | 5548.29 | 5636.29 | 4756.11 | |
glutamine | 77069.00 | 44873.38 | 51745.43 | 39601.06 | 105987.00 | 37684.12 | 78356.14 | 84529.65 | 70931.00 | 59012.75 | 64485.36 | 51125.88 | 109841.00 | 42218.00 | 78506.93 | 82971.00 | 49397.05 | |
glyceric acid | 1079.00 | 1337.00 | 1221.93 | 1843.29 | 953.00 | 1920.00 | 1246.43 | 1360.53 | 1154.50 | 1233.38 | 1435.07 | 1719.41 | 1117.50 | 1578.00 | 1480.07 | 1437.18 | 1645.84 | |
glycerol | 16637.50 | 35768.75 | 18540.29 | 16986.94 | 28127.50 | 20550.62 | 19514.93 | 20859.06 | 11320.50 | 28946.12 | 14593.86 | 13299.53 | 21671.50 | 17530.75 | 13869.93 | 17020.76 | 19787.74 | |
glycerol-3-galactoside | 196.00 | 270.00 | 137.36 | 182.65 | 152.50 | 266.50 | 216.21 | 208.76 | 181.00 | 203.88 | 146.71 | 181.47 | 142.00 | 254.50 | 196.93 | 201.88 | 180.95 | |
glycerol-alpha-phosphate | 75.00 | 110.75 | 148.93 | 152.35 | 128.50 | 349.12 | 151.00 | 133.00 | 149.50 | 197.25 | 252.50 | 279.18 | 66.50 | 674.38 | 242.50 | 174.53 | 133.63 | |
glycine | 14738.00 | 23856.50 | 18312.86 | 20041.00 | 21221.00 | 32013.88 | 20777.50 | 18586.82 | 13797.50 | 20025.62 | 17572.57 | 18487.76 | 19192.50 | 29461.12 | 19542.43 | 16427.82 | 20954.95 | |
glycolic acid | 801.00 | 851.75 | 944.29 | 862.47 | 833.00 | 1000.88 | 827.57 | 842.24 | 473.50 | 569.38 | 656.43 | 567.12 | 335.00 | 693.12 | 620.21 | 627.41 | 898.63 | |
heptadecanoic acid | 989.00 | 1394.12 | 1456.07 | 1330.06 | 1483.50 | 1239.12 | 1475.21 | 1391.29 | 1159.00 | 1392.50 | 1432.50 | 1244.88 | 1831.00 | 1336.62 | 1419.43 | 1411.18 | 1372.84 | |
hexitol | 353.50 | 845.12 | 339.21 | 519.88 | 1460.00 | 1189.25 | 1224.79 | 683.29 | 270.00 | 1000.12 | 376.14 | 572.71 | 269.50 | 1266.38 | 1590.36 | 816.29 | 462.00 | |
hexuronic acid | 706.50 | 857.38 | 1199.21 | 1248.88 | 879.00 | 869.75 | 1293.57 | 799.29 | 792.50 | 973.12 | 1279.79 | 1451.59 | 927.50 | 936.25 | 1396.29 | 933.94 | 982.16 | |
hippuric acid | 522.00 | 730.38 | 515.93 | 468.24 | 275.50 | 824.62 | 607.07 | 711.41 | 328.50 | 764.00 | 509.29 | 581.41 | 197.00 | 994.25 | 1142.57 | 760.41 | 433.26 | |
histidine | 10376.50 | 7845.12 | 7644.43 | 8645.24 | 9775.00 | 4797.00 | 9407.21 | 10528.12 | 13354.50 | 14621.62 | 10568.93 | 12452.24 | 15791.50 | 9762.62 | 10891.86 | 12459.12 | 6149.58 | |
hydroxycarbamate NIST | 439.00 | 486.88 | 441.36 | 423.29 | 598.00 | 479.12 | 450.07 | 409.35 | 365.00 | 444.50 | 439.50 | 381.24 | 533.00 | 355.75 | 421.50 | 380.12 | 445.16 | |
hydroxylamine | 1711.50 | 1436.62 | 1616.00 | 1579.53 | 2563.00 | 1911.50 | 1674.29 | 1542.12 | 2000.50 | 2459.50 | 2366.86 | 2204.53 | 2814.50 | 2519.00 | 2033.79 | 1943.71 | 1800.32 | |
hypoxanthine | 494.50 | 397.88 | 336.43 | 375.88 | 240.00 | 206.50 | 249.71 | 295.06 | 986.00 | 949.12 | 1051.79 | 1165.47 | 944.50 | 637.75 | 568.86 | 819.00 | 288.84 | |
indole-3-acetate | 483.00 | 456.38 | 735.36 | 812.59 | 471.00 | 650.50 | 862.00 | 688.35 | 445.00 | 537.88 | 802.50 | 906.00 | 481.50 | 819.38 | 1052.86 | 792.24 | 670.79 | |
indole-3-lactate | 328.00 | 406.75 | 485.57 | 481.65 | 426.50 | 456.88 | 591.07 | 441.24 | 283.50 | 446.25 | 476.64 | 491.47 | 396.00 | 453.62 | 633.43 | 433.71 | 483.42 | |
indoxyl sulfate | 117.50 | 95.25 | 99.29 | 108.59 | 98.50 | 89.00 | 101.07 | 113.29 | 230.00 | 313.88 | 345.14 | 410.88 | 246.00 | 174.25 | 209.43 | 231.53 | 98.16 | |
inosine | 35.00 | 49.25 | 45.50 | 51.00 | 49.50 | 55.75 | 61.50 | 138.71 | 94.50 | 133.88 | 119.21 | 119.94 | 154.50 | 234.38 | 160.71 | 252.88 | 74.42 | |
isocitric acid | 408.00 | 545.50 | 477.21 | 473.47 | 417.50 | 487.25 | 445.71 | 461.53 | 225.50 | 281.62 | 239.14 | 229.65 | 213.50 | 253.50 | 219.43 | 235.94 | 435.42 | |
isoleucine | 42591.00 | 32775.50 | 36569.07 | 33654.94 | 31243.50 | 37870.25 | 31065.21 | 33211.65 | 41647.50 | 32485.50 | 36443.79 | 33308.18 | 30356.50 | 36794.50 | 30929.29 | 33185.00 | 34123.95 | |
isothreonic acid | 374.50 | 468.62 | 607.43 | 580.65 | 451.50 | 409.00 | 399.71 | 440.88 | 420.50 | 485.75 | 612.36 | 578.82 | 436.50 | 445.25 | 448.71 | 457.24 | 485.79 | |
lactamide | 147.00 | 760.25 | 1029.86 | 1118.35 | 80.50 | 1047.25 | 289.21 | 325.82 | 179.50 | 959.50 | 924.71 | 1188.65 | 133.50 | 1462.88 | 472.64 | 445.24 | 666.16 | |
lactic acid | 127384.00 | 147515.38 | 183007.64 | 143022.59 | 45419.50 | 91890.62 | 86230.00 | 95738.53 | 183339.00 | 173528.12 | 199320.29 | 170043.06 | 102019.00 | 142563.25 | 136134.14 | 137650.76 | 124520.21 | |
lauric acid | 1365.00 | 2780.62 | 2303.29 | 2169.18 | 2451.00 | 1868.25 | 2246.00 | 2164.53 | 1447.00 | 2745.62 | 2236.86 | 2068.35 | 2618.50 | 1660.50 | 2199.57 | 2317.82 | 2233.84 | |
leucine | 82511.50 | 68876.75 | 74618.57 | 71222.65 | 68260.00 | 71244.25 | 64841.36 | 69634.59 | 75515.00 | 61353.00 | 72004.14 | 68522.06 | 61032.00 | 69001.75 | 61317.00 | 67270.06 | 70303.68 | |
levoglucosan | 172.50 | 613.50 | 492.64 | 579.88 | 2073.00 | 453.50 | 500.57 | 477.94 | 189.50 | 703.00 | 468.57 | 593.06 | 2020.50 | 444.75 | 456.43 | 476.12 | 540.74 | |
linoleic acid | 208.50 | 1495.00 | 1077.14 | 1049.71 | 1338.50 | 1098.62 | 1282.07 | 1121.65 | 189.00 | 1510.25 | 1073.21 | 1049.47 | 1346.00 | 1239.00 | 1281.79 | 1069.18 | 1100.05 | |
lysine | 47029.50 | 35479.75 | 35622.07 | 33296.76 | 49113.50 | 36838.88 | 37736.71 | 42049.53 | 50098.00 | 46376.12 | 45038.14 | 43702.47 | 51534.00 | 47175.50 | 40646.93 | 47079.94 | 34957.47 | |
lyxitol | 1015.00 | 995.75 | 1184.36 | 1115.12 | 1232.50 | 973.00 | 995.50 | 965.18 | 981.00 | 1008.12 | 1162.43 | 1089.76 | 1199.50 | 946.00 | 1050.36 | 972.59 | 962.47 | |
malic acid | 208.50 | 202.38 | 209.21 | 198.18 | 130.50 | 181.00 | 147.07 | 160.41 | 175.00 | 181.25 | 203.86 | 193.29 | 136.00 | 141.38 | 143.50 | 147.59 | 197.26 | |
maltose | 104.00 | 225.25 | 198.86 | 374.12 | 139.00 | 161.00 | 92.57 | 95.00 | 265.50 | 163.00 | 555.86 | 187.65 | 119.00 | 409.88 | 86.21 | 191.06 | 126.42 | |
maltotriose | 49.50 | 121.62 | 69.71 | 93.65 | 95.00 | 67.75 | 62.93 | 58.06 | 53.00 | 61.25 | 98.00 | 57.00 | 50.50 | 66.88 | 50.07 | 46.35 | 63.11 | |
mannitol | 7765.50 | 1792.75 | 2450.93 | 3191.00 | 1077.00 | 2249.38 | 2367.00 | 4822.00 | 8308.50 | 1987.12 | 2431.21 | 3257.88 | 1362.00 | 2444.25 | 2508.21 | 4947.18 | 2661.84 | |
mannose | 10704.00 | 12530.25 | 15622.29 | 14567.12 | 16421.00 | 12979.25 | 16821.93 | 12887.59 | 10550.00 | 11916.75 | 15744.64 | 14127.88 | 14628.50 | 12300.62 | 16604.36 | 12354.12 | 13815.68 | |
methanolphosphate | 194.50 | 309.00 | 281.79 | 266.29 | 274.00 | 382.00 | 297.57 | 275.24 | 255.50 | 366.50 | 401.07 | 344.41 | 312.00 | 538.88 | 338.57 | 376.06 | 242.37 | |
methionine | 3017.00 | 3079.00 | 2665.86 | 2890.59 | 2873.50 | 2797.62 | 2750.43 | 3014.76 | 3502.50 | 3178.12 | 2769.36 | 3090.82 | 2767.00 | 2913.25 | 3000.29 | 3128.12 | 2886.84 | |
methionine sulfoxide | 772.00 | 684.75 | 618.50 | 741.94 | 621.00 | 1168.25 | 966.57 | 934.35 | 547.50 | 812.38 | 931.93 | 923.41 | 808.00 | 1431.25 | 1173.21 | 943.71 | 936.32 | |
myo-inositol | 5690.00 | 8146.88 | 8521.07 | 9002.47 | 6900.50 | 8776.12 | 7757.21 | 7480.65 | 6126.50 | 8145.75 | 8828.64 | 8867.94 | 7224.00 | 8953.00 | 8308.57 | 8028.71 | 7995.26 | |
myristic acid | 4305.00 | 9339.62 | 7315.00 | 7032.06 | 8763.00 | 6843.88 | 8758.93 | 8137.06 | 4056.00 | 10197.62 | 6704.43 | 6769.29 | 10001.00 | 6656.62 | 9679.93 | 8174.29 | 8490.95 | |
N-acetyl-5-hydroxytryptamine | 19263.00 | 18681.12 | 18596.29 | 17696.18 | 21075.50 | 21508.88 | 19733.07 | 21808.82 | 61.00 | 63.12 | 83.43 | 63.59 | 43.00 | 76.12 | 67.21 | 60.71 | 19463.00 | |
N-acetylglycine NIST | 52.50 | 121.00 | 93.07 | 102.00 | 117.50 | 127.75 | 118.71 | 99.00 | 65.50 | 82.12 | 89.07 | 77.06 | 90.50 | 117.75 | 96.50 | 79.35 | 112.26 | |
N-acetylornithine | 1297.50 | 1686.00 | 1812.50 | 1684.71 | 1778.00 | 2704.00 | 1697.07 | 1580.65 | 61.50 | 61.62 | 53.64 | 48.76 | 60.00 | 64.88 | 60.36 | 64.35 | 1662.74 | |
naproxen | 54.00 | 68.75 | 62.21 | 544.76 | 79.50 | 10188.38 | 2808.93 | 1443.76 | 63.00 | 81.25 | 71.86 | 459.88 | 54.50 | 10570.62 | 2686.36 | 1684.12 | 1370.32 | |
nicotinic acid | 1239.50 | 1350.38 | 989.86 | 1412.24 | 1787.50 | 1120.75 | 1257.29 | 914.06 | 66.00 | 62.25 | 57.43 | 53.24 | 49.50 | 58.12 | 66.21 | 56.29 | 1345.47 | |
N-methylalanine | 7407.50 | 9731.50 | 7736.00 | 9325.82 | 11125.50 | 8771.12 | 11255.64 | 12172.35 | 7424.00 | 9803.50 | 7611.21 | 9337.53 | 10960.00 | 9013.12 | 11475.07 | 12647.65 | 9531.32 | |
nornicotine | 85.50 | 223.50 | 145.07 | 186.88 | 387.00 | 234.88 | 350.71 | 194.35 | 85.00 | 228.00 | 183.57 | 209.82 | 365.50 | 255.50 | 378.86 | 204.59 | 217.68 | |
octadecanol | 119.00 | 98.62 | 111.79 | 101.76 | 147.50 | 121.75 | 121.71 | 144.65 | 95.50 | 109.62 | 122.00 | 111.53 | 139.50 | 123.88 | 113.57 | 160.65 | 150.26 | |
oleic acid | 336.00 | 3535.12 | 2688.21 | 2683.65 | 2807.50 | 2302.88 | 2938.29 | 2693.47 | 372.00 | 3446.50 | 2734.21 | 2703.47 | 2750.00 | 2566.12 | 2826.79 | 2556.71 | 2597.58 | |
ornithine | 32806.00 | 25092.00 | 28275.07 | 25117.88 | 21877.00 | 18813.88 | 26556.93 | 27594.65 | 36881.00 | 37130.62 | 39773.00 | 39389.82 | 30522.00 | 32027.75 | 34305.00 | 35279.18 | 23660.53 | |
oxalic acid | 14141.00 | 15073.88 | 14959.57 | 19243.71 | 20540.50 | 19287.75 | 17312.14 | 15255.82 | 143.50 | 294.75 | 270.57 | 444.59 | 371.00 | 346.38 | 237.86 | 258.35 | 21368.16 | |
oxoproline | 24658.50 | 91957.75 | 74404.50 | 106960.76 | 36147.50 | 144217.25 | 56733.36 | 56124.59 | 28619.00 | 87385.00 | 74778.93 | 101940.29 | 38306.00 | 138588.38 | 62689.93 | 59748.47 | 79592.26 | |
palmitic acid | 10449.50 | 17940.88 | 17565.86 | 15612.18 | 17830.00 | 15726.62 | 18468.79 | 16348.65 | 11004.50 | 17389.38 | 16982.14 | 14393.59 | 19853.00 | 15437.62 | 16668.43 | 15966.94 | 16785.32 | |
palmitoleic acid | 502.50 | 3684.50 | 2777.93 | 2002.18 | 2750.50 | 1942.62 | 2929.43 | 1920.65 | 614.00 | 3761.25 | 2841.50 | 2069.59 | 2667.50 | 2184.62 | 2878.36 | 1908.18 | 2524.84 | |
parabanic acid NIST | 871.50 | 1323.38 | 970.14 | 1381.35 | 1444.50 | 1103.88 | 1136.50 | 1044.71 | 365.00 | 336.25 | 322.21 | 314.18 | 343.50 | 275.88 | 424.07 | 433.35 | 1604.89 | |
p-cresol | 50020.00 | 51173.62 | 50488.29 | 49715.94 | 56716.50 | 57533.50 | 55224.50 | 52633.18 | 46939.00 | 50066.62 | 51444.00 | 44049.41 | 52587.50 | 53517.25 | 51996.93 | 50728.94 | 50959.16 | |
pelargonic acid | 2959.50 | 4459.00 | 4113.71 | 4982.94 | 4456.50 | 4249.62 | 5409.86 | 4421.12 | 3039.00 | 5560.25 | 4709.21 | 5137.18 | 4466.50 | 4315.00 | 4642.79 | 4999.71 | 3333.05 | |
phenol | 1419.00 | 1671.88 | 1793.29 | 1650.88 | 593.50 | 1040.50 | 1039.71 | 1152.18 | 1921.50 | 2103.62 | 2107.57 | 2032.53 | 1227.00 | 1716.25 | 1556.14 | 1485.59 | 1571.79 | |
phenylalanine | 12738.00 | 11996.12 | 11553.43 | 12619.94 | 10707.00 | 14161.50 | 11141.50 | 11570.88 | 14499.00 | 13980.25 | 15911.14 | 16632.24 | 11492.00 | 15760.25 | 12571.50 | 13231.47 | 11906.89 | |
phenylethylamine | 180.50 | 171.88 | 261.07 | 228.59 | 242.00 | 249.25 | 335.36 | 256.12 | 139.00 | 211.38 | 284.79 | 276.12 | 218.00 | 271.75 | 468.43 | 307.00 | 180.74 | |
phosphate | 38977.00 | 43953.50 | 46394.86 | 44110.65 | 48535.00 | 42288.38 | 43378.43 | 42935.53 | 9634.50 | 12362.88 | 12894.29 | 12105.12 | 14252.50 | 13154.00 | 12098.86 | 13826.00 | 44703.26 | |
phosphoethanolamine | 77.00 | 141.88 | 109.00 | 148.71 | 146.00 | 88.75 | 88.29 | 72.00 | 63.00 | 72.12 | 70.86 | 61.35 | 72.50 | 64.62 | 72.21 | 59.76 | 238.05 | |
pipecolinic acid | 489.00 | 247.62 | 518.36 | 473.65 | 146.50 | 255.38 | 1163.14 | 344.29 | 722.00 | 477.00 | 820.86 | 811.94 | 284.50 | 460.62 | 3334.21 | 674.41 | 411.84 | |
piperidone | 75.50 | 100.50 | 86.29 | 160.35 | 60.00 | 221.62 | 164.36 | 112.06 | 91.50 | 91.62 | 93.29 | 136.12 | 49.00 | 208.38 | 154.64 | 128.65 | 140.58 | |
proline | 119067.50 | 63454.12 | 76978.43 | 60556.18 | 83683.00 | 70022.25 | 69848.21 | 72877.41 | 157220.50 | 98034.62 | 102635.79 | 101326.71 | 124310.50 | 103716.25 | 105240.93 | 105790.88 | 62600.79 | |
propane-1,3-diol NIST | 617.00 | 699.50 | 799.00 | 770.76 | 703.00 | 708.75 | 649.00 | 678.47 | 699.00 | 769.00 | 827.14 | 742.82 | 682.00 | 746.00 | 713.57 | 698.82 | 673.79 | |
pseudo uridine | 851.50 | 1040.50 | 1212.50 | 1158.24 | 1273.50 | 988.62 | 998.64 | 913.06 | 765.00 | 828.12 | 1075.57 | 935.00 | 1057.50 | 910.62 | 846.00 | 784.12 | 1095.53 | |
pyrophosphate | 2587.50 | 5398.62 | 5077.50 | 5243.41 | 2755.00 | 3198.00 | 1485.36 | 1653.35 | 1702.00 | 2090.88 | 1570.43 | 1462.59 | 2261.50 | 1170.62 | 1675.79 | 1010.47 | 3281.42 | |
pyrrole-2-carboxylic acid | 256.50 | 268.62 | 202.79 | 334.82 | 293.50 | 248.75 | 242.00 | 223.71 | 78.00 | 95.12 | 70.43 | 92.65 | 93.00 | 80.12 | 91.57 | 88.76 | 449.74 | |
pyruvic acid | 8497.50 | 7293.62 | 6216.36 | 6751.59 | 2315.50 | 1760.75 | 3171.00 | 4005.82 | 2499.00 | 1874.00 | 813.86 | 669.24 | 359.50 | 384.12 | 562.00 | 936.00 | 4425.58 | |
quinic acid | 102.00 | 646.62 | 535.36 | 478.94 | 1017.00 | 1090.00 | 1428.86 | 450.65 | 118.50 | 604.25 | 550.86 | 497.53 | 998.50 | 1064.88 | 1490.14 | 464.41 | 671.89 | |
ribose | 142.00 | 144.62 | 214.79 | 148.47 | 96.00 | 165.38 | 153.43 | 129.88 | 145.00 | 208.62 | 268.86 | 217.65 | 143.00 | 204.62 | 175.07 | 233.18 | 137.79 | |
salicylaldehyde | 272.00 | 247.75 | 219.71 | 295.94 | 341.00 | 267.12 | 219.64 | 283.29 | 236.00 | 218.62 | 208.00 | 276.59 | 309.00 | 185.88 | 212.14 | 238.82 | 1439.74 | |
salicylic acid | 138.50 | 1352.38 | 628.93 | 4586.41 | 206.50 | 495.62 | 586.29 | 1344.29 | 132.50 | 1332.12 | 627.93 | 4399.76 | 163.00 | 529.25 | 594.79 | 1284.12 | 1433.89 | |
serine | 6555.50 | 7659.50 | 8408.43 | 8542.24 | 11710.00 | 9388.25 | 8689.86 | 8042.94 | 8902.50 | 9658.38 | 12204.21 | 12328.88 | 12049.50 | 11395.75 | 10526.50 | 9369.59 | 8327.00 | |
shikimic acid | 433.50 | 179.88 | 364.71 | 248.65 | 391.50 | 212.88 | 338.50 | 396.59 | 2081.50 | 1229.62 | 1317.79 | 1619.53 | 477.50 | 1536.75 | 1222.07 | 1116.53 | 485.00 | |
stearic acid | 76396.50 | 102596.75 | 111116.71 | 93394.00 | 109506.50 | 90661.88 | 113047.07 | 95278.59 | 85896.50 | 95093.62 | 99246.36 | 80430.41 | 134727.50 | 92222.75 | 94330.00 | 92870.47 | 106249.16 | |
sucrose | 177.50 | 145.88 | 141.00 | 199.06 | 97.50 | 77.12 | 117.79 | 177.24 | 187.50 | 141.25 | 95.57 | 150.65 | 92.00 | 65.25 | 119.14 | 149.94 | 204.05 | |
tartaric acid | 58.50 | 51.75 | 93.00 | 107.00 | 40.50 | 182.38 | 68.29 | 84.29 | 67.50 | 52.12 | 79.93 | 81.94 | 50.50 | 173.00 | 55.43 | 77.65 | 77.95 | |
taurine | 1803.00 | 2448.25 | 2720.36 | 1971.18 | 2161.50 | 1272.25 | 863.86 | 781.29 | 5497.00 | 5095.38 | 5931.36 | 5176.29 | 6382.00 | 3897.12 | 3714.71 | 3091.65 | 1260.47 | |
threitol | 264.00 | 317.38 | 292.71 | 290.88 | 288.00 | 320.62 | 243.07 | 250.71 | 278.00 | 323.38 | 300.36 | 305.65 | 269.50 | 325.25 | 253.43 | 257.18 | 269.11 | |
threonic acid | 672.00 | 1040.25 | 1128.86 | 1482.18 | 856.00 | 1959.50 | 1449.07 | 1724.35 | 750.00 | 1392.50 | 1707.00 | 2382.94 | 1358.50 | 2697.25 | 1778.36 | 1996.29 | 1393.68 | |
threonine | 13096.00 | 14003.12 | 14407.14 | 14131.88 | 20242.00 | 17687.50 | 14368.43 | 16569.53 | 12762.00 | 13887.00 | 14735.71 | 14078.65 | 19286.00 | 17418.38 | 14549.21 | 16531.65 | 15435.32 | |
tocopherol alpha- | 2155.50 | 2440.00 | 3026.79 | 2733.41 | 1780.50 | 3182.25 | 3337.50 | 3423.82 | 1939.00 | 2097.38 | 2719.07 | 2335.41 | 1488.50 | 2896.88 | 2959.21 | 3192.82 | 2469.00 | |
tocopherol gamma- | 492.00 | 399.75 | 525.00 | 369.12 | 546.50 | 421.62 | 543.64 | 505.18 | 446.00 | 377.00 | 514.71 | 337.06 | 472.50 | 390.25 | 491.64 | 452.82 | 363.21 | |
trans-4-hydroxyproline | 2587.00 | 4609.75 | 4569.79 | 5177.59 | 2129.00 | 6658.25 | 3475.79 | 3321.12 | 2960.00 | 4884.50 | 5174.36 | 5229.59 | 2730.50 | 6449.75 | 4020.64 | 3823.76 | 4038.21 | |
tryptophan | 22674.00 | 22196.75 | 24517.14 | 19711.24 | 25686.50 | 25402.00 | 27706.29 | 24627.88 | 27159.50 | 28008.12 | 29533.57 | 26371.47 | 29733.00 | 32408.75 | 31315.50 | 29787.82 | 21861.63 | |
tyrosine | 44791.00 | 31367.12 | 31141.29 | 33845.82 | 35471.00 | 42157.12 | 34066.29 | 33643.24 | 46260.50 | 34260.00 | 33516.71 | 36366.47 | 34869.50 | 44931.50 | 33298.14 | 34915.71 | 32290.37 | |
UDP-glucuronic acid | 115.00 | 235.62 | 137.43 | 183.06 | 1663.00 | 130.88 | 153.79 | 260.12 | 123.00 | 233.25 | 140.64 | 184.00 | 1577.00 | 102.25 | 137.93 | 248.53 | 213.32 | |
urea | 217573.50 | 221166.38 | 197936.29 | 252968.12 | 190394.00 | 191433.50 | 230852.00 | 231123.41 | 161260.50 | 207799.62 | 178907.07 | 233943.59 | 171670.00 | 169772.88 | 220791.79 | 190944.12 | 270675.95 | |
uric acid | 9221.50 | 15228.12 | 13814.71 | 17150.88 | 24832.50 | 19932.88 | 20543.29 | 18599.76 | 10897.00 | 16110.12 | 14947.57 | 16950.29 | 24043.00 | 17904.50 | 20418.93 | 18506.18 | 18401.89 | |
uridine | 90.50 | 103.25 | 81.36 | 80.18 | 93.50 | 95.25 | 88.14 | 78.24 | 69.50 | 76.50 | 75.43 | 75.41 | 93.50 | 57.62 | 71.50 | 75.18 | 87.05 | |
valine | 130207.50 | 103943.12 | 110719.36 | 107870.24 | 120498.00 | 114805.00 | 111491.79 | 114355.76 | 132292.00 | 106872.12 | 115646.29 | 113169.53 | 119038.50 | 118488.12 | 115603.57 | 120671.18 | 108710.00 | |
xylitol | 239.00 | 424.00 | 242.57 | 364.24 | 1482.50 | 276.75 | 270.57 | 386.82 | 244.00 | 423.12 | 231.71 | 222.71 | 1435.50 | 181.50 | 261.21 | 379.00 | 240.58 | |
xylose | 1154.50 | 1214.00 | 957.93 | 1115.00 | 954.00 | 1148.50 | 1085.64 | 947.94 | 860.50 | 897.62 | 825.14 | 758.71 | 619.00 | 947.12 | 865.71 | 714.00 | 1127.00 |
Factors:
F1 | Organ:Plasma | Disease State:cancer | Gender:F | Smoking Status:Current |
F2 | Organ:Plasma | Disease State:cancer | Gender:F | Smoking Status:Former |
F3 | Organ:Plasma | Disease State:cancer | Gender:M | Smoking Status:Current |
F4 | Organ:Plasma | Disease State:cancer | Gender:M | Smoking Status:Former |
F5 | Organ:Plasma | Disease State:control | Gender:F | Smoking Status:Current |
F6 | Organ:Plasma | Disease State:control | Gender:F | Smoking Status:Former |
F7 | Organ:Plasma | Disease State:control | Gender:M | Smoking Status:Current |
F8 | Organ:Plasma | Disease State:control | Gender:M | Smoking Status:Former |
F9 | Organ:Serum | Disease State:cancer | Gender:F | Smoking Status:Current |
F10 | Organ:Serum | Disease State:cancer | Gender:F | Smoking Status:Former |
F11 | Organ:Serum | Disease State:cancer | Gender:M | Smoking Status:Current |
F12 | Organ:Serum | Disease State:cancer | Gender:M | Smoking Status:Former |
F13 | Organ:Serum | Disease State:control | Gender:F | Smoking Status:Current |
F14 | Organ:Serum | Disease State:control | Gender:F | Smoking Status:Former |
F15 | Organ:Serum | Disease State:control | Gender:M | Smoking Status:Current |
F16 | Organ:Serum | Disease State:control | Gender:M | Smoking Status:Former |
F17 | Organ:Serum or Plasma | Disease State:- | Gender:- | Smoking Status:- |