Data for ST000386   

(Analysis AN000621): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26
1,5-anhydroglucitol
13121.56 11533.00 11914.29 12288.00 9932.67 13065.00 5563.00 7203.00 10289.33 14601.50 10994.42 12489.78 10307.33 10782.38 11030.25 10232.14 10855.80 11739.00 7749.00 12324.00 4672.00 15091.00 11007.33 12762.00 10689.29 11421.14
1-monopalmitin
172.11 82.67 116.90 113.08 87.00 90.00 185.00 59.00 128.50 135.00 118.00 104.67 131.33 218.62 86.50 129.14 108.90 151.00 77.00 130.00 78.00 61.00 162.67 142.75 108.29 114.57
1-monostearin
94.67 84.00 68.10 62.83 46.67 142.00 161.00 43.00 43.33 67.00 56.08 66.44 154.11 125.75 53.50 83.43 60.80 42.00 43.50 49.00 78.00 51.00 81.83 97.50 65.36 76.43
2,3,5-trihydroxypyrazine NIST
68.89 77.67 78.81 69.67 86.67 65.00 142.00 119.00 91.67 81.75 70.92 66.22 71.33 69.75 60.75 59.57 67.90 51.00 35.00 53.00 99.00 50.00 56.00 50.25 60.14 60.43
238267 trisaccharide
82.44 82.33 81.14 91.50 59.67 28.00 97.00 68.00 104.17 78.00 96.92 85.89 49.50 72.38 80.75 53.52 64.50 28.00 42.50 62.00 72.00 44.00 69.83 51.50 91.64 52.43
2,3-dihydroxybutanoic acid NIST
110.56 102.33 168.10 128.42 102.00 186.00 165.00 164.00 133.50 138.75 126.33 125.33 108.28 107.12 129.75 144.29 124.80 74.00 67.00 167.00 56.00 85.00 128.17 159.00 124.21 176.00
2-aminoadipic acid
84.67 129.67 91.67 89.00 105.67 63.00 152.00 108.00 76.00 87.00 102.50 104.44 78.06 76.88 105.25 84.14 62.20 79.00 66.50 39.00 66.00 121.00 111.50 109.50 71.21 104.00
2-deoxyerythritol
568.11 532.00 574.24 412.08 227.67 402.00 245.00 300.00 922.33 332.00 443.08 323.67 412.11 542.12 591.50 550.38 441.80 199.00 273.00 403.00 111.00 187.00 912.50 280.00 404.57 375.14
2-deoxytetronic acid
165.56 168.33 191.43 145.00 151.33 160.00 447.00 195.00 189.00 164.50 144.83 144.56 146.83 218.75 156.75 155.48 155.80 37.00 113.00 171.00 112.00 126.00 207.17 163.25 148.07 152.29
2-hydroxybutanoic acid
12528.78 9053.00 13559.90 13196.83 14079.67 8126.00 13395.00 8760.00 13324.00 11697.75 14710.67 12745.67 10576.61 14811.88 11854.50 13885.71 13832.70 17802.00 14498.00 9327.00 11557.00 17253.00 16002.67 12555.25 14331.79 13566.57
2-hydroxyglutaric acid
364.00 196.67 328.95 362.58 233.00 246.00 356.00 261.00 352.50 262.00 299.67 278.33 397.61 473.75 425.00 507.76 520.60 804.00 310.00 221.00 548.00 470.00 439.00 393.50 361.00 408.14
2-hydroxyhippuric acid
169.56 158.67 804.71 143.25 120.00 97.00 161.00 59.00 662.17 116.50 65.83 61.00 191.28 80.88 126.50 406.90 135.40 46.00 60.00 62.00 64.00 46.00 456.67 62.00 56.79 61.71
2-hydroxyvaleric acid
3913.89 8370.67 1072.71 837.83 897.33 748.00 1596.00 1051.00 768.17 909.00 2921.25 772.22 1140.28 865.62 923.25 921.00 797.70 199.00 618.00 977.00 779.00 964.00 672.50 989.25 839.00 813.00
2-ketoisocaproic acid
3780.33 3671.33 3784.43 3724.58 3210.67 3667.00 4634.00 3158.00 3191.83 3983.00 4181.08 3963.33 3182.44 3077.50 2715.00 2754.62 2595.70 2222.00 3682.50 3239.00 3087.00 3641.00 3066.00 2611.50 3236.07 3418.14
2-oxogluconic acid NIST
71.22 65.33 83.76 67.50 83.00 127.00 86.00 122.00 67.17 70.25 89.00 68.67 48.33 105.50 79.00 128.95 94.20 58.00 49.50 92.00 43.00 55.00 75.17 75.50 94.36 81.43
3-aminoisobutyric acid
571.00 263.00 434.81 500.25 665.33 396.00 853.00 256.00 499.67 463.75 486.58 490.33 431.00 462.25 215.25 328.86 298.10 17.00 113.50 259.00 529.00 300.00 345.50 260.50 353.57 278.71
3-hydroxybutanoic acid
10956.44 2981.00 8401.57 5500.50 12252.33 1867.00 40051.00 1421.00 25824.33 7714.75 10795.92 6393.22 6866.00 9584.12 4822.00 7628.05 5669.90 13723.00 5504.50 1901.00 38844.00 10208.00 29511.17 7239.75 10648.86 6605.29
3-phosphoglycerate
172.89 135.33 228.57 398.67 233.00 101.00 171.00 108.00 251.33 198.75 228.67 185.67 149.22 64.50 60.75 108.81 194.30 842.00 504.50 46.00 83.00 75.00 152.50 35.00 91.71 60.71
400671 carbohydrate
593.78 762.33 510.71 701.42 410.67 1026.00 945.00 383.00 618.17 723.00 687.83 912.11 410.22 612.12 684.75 599.67 662.50 233.00 477.50 657.00 60.00 553.00 490.67 483.50 601.21 744.29
4-hydroxyphenylacetic acid
60.33 66.67 161.76 65.58 58.33 106.00 111.00 95.00 58.50 73.50 76.33 67.22 54.56 69.50 112.25 143.24 62.70 32.00 27.50 97.00 84.00 48.00 64.83 80.50 62.71 78.00
4-hydroxyproline
2341.44 1184.67 3009.90 2479.00 3458.33 1284.00 1674.00 2943.00 3088.00 2462.75 2227.92 2323.22 3444.94 3078.38 2101.75 2978.43 2340.70 1794.00 2664.00 1736.00 3252.00 3497.00 3146.83 2666.50 2839.64 2951.14
5-aminovaleric acid lactame
206.33 213.00 305.19 233.25 201.67 321.00 919.00 175.00 422.00 179.50 201.92 259.56 196.00 187.50 268.25 206.10 189.00 47.00 53.00 393.00 669.00 112.00 384.00 186.25 133.43 305.57
5-hydroxynorvaline NIST
324.33 122.00 286.52 238.33 236.67 201.00 346.00 323.00 200.33 191.50 202.42 176.67 180.50 255.75 128.50 245.19 231.70 41.00 137.50 234.00 253.00 237.00 256.50 164.75 183.86 219.29
5-methoxytryptamine
259.56 117.67 287.24 337.42 152.00 174.00 66.00 209.00 397.33 131.00 296.83 185.00 290.56 367.50 371.25 295.62 266.00 33.00 46.00 443.00 665.00 408.00 415.00 367.50 293.64 265.57
6-deoxyglucitol NIST
1231.22 1139.00 1338.57 1256.92 1504.00 1831.00 4414.00 781.00 894.33 1810.50 1466.50 1278.56 1746.50 1351.38 1307.50 1292.05 1253.10 769.00 1356.50 1879.00 1616.00 1052.00 1067.33 1889.25 1208.21 1667.57
715929 carbohydrate
831.00 229.00 1269.29 1629.42 421.67 251.00 194.00 1009.00 1047.50 417.75 787.92 537.78 753.94 276.88 158.25 603.38 640.90 205.00 356.00 268.00 298.00 259.00 371.50 265.50 360.57 303.14
acetophenone NIST
1256.78 2791.00 875.76 840.58 1045.00 802.00 1423.00 412.00 787.67 642.00 897.92 988.44 509.89 726.25 722.25 862.24 675.60 473.00 342.00 773.00 752.00 574.00 913.67 756.00 651.79 916.86
aconitic acid
148.33 159.00 184.38 135.17 121.00 73.00 134.00 63.00 142.17 133.25 182.17 161.22 196.94 97.00 97.50 92.38 65.00 46.00 113.50 98.00 110.00 63.00 88.00 110.25 64.07 60.57
adenosine-5-phosphate
411.11 363.67 331.33 525.92 152.67 194.00 136.00 255.00 505.00 190.00 424.50 241.78 248.89 151.25 332.00 558.76 61.10 36.00 52.00 75.00 54.00 39.00 64.50 51.25 162.50 60.71
adipic acid
388.11 466.67 553.76 578.50 285.00 209.00 1081.00 224.00 757.00 488.25 500.33 368.33 477.89 258.88 313.75 283.29 236.50 232.00 171.50 259.00 407.00 197.00 280.33 234.50 313.14 244.86
alanine
134581.89 131124.33 121131.76 122949.58 139810.33 108193.00 132589.00 117095.00 121460.17 113153.00 146719.92 138403.33 108411.56 149705.62 148141.75 130796.14 131870.00 184087.00 151939.00 127773.00 119752.00 116944.00 127932.33 128093.75 146234.29 156595.14
allantoic acid
58.67 87.67 78.29 88.67 66.67 99.00 86.00 72.00 75.83 92.00 79.75 72.78 75.28 82.75 71.25 68.71 82.30 43.00 64.50 194.00 38.00 65.00 49.67 81.25 59.00 68.86
alpha ketoglutaric acid
436.22 374.33 479.24 537.83 590.00 325.00 439.00 306.00 346.00 395.75 394.42 402.33 281.72 244.50 190.00 183.71 257.00 58.00 234.50 136.00 144.00 239.00 178.50 145.00 202.00 191.86
aminomalonic acid
1525.78 1048.33 1141.10 1482.67 1365.67 1372.00 2391.00 881.00 1040.67 1351.50 1154.67 1319.44 1435.72 949.62 771.25 766.81 816.00 883.00 838.50 933.00 1298.00 812.00 668.00 722.50 904.21 639.86
arabinose
270.11 236.67 329.48 302.17 239.67 224.00 297.00 208.00 317.33 261.00 224.25 247.78 240.39 200.88 197.00 267.95 189.30 176.00 197.00 228.00 402.00 252.00 321.83 231.75 202.64 173.71
arabitol
148.44 92.67 219.24 134.92 129.67 145.00 305.00 238.00 153.17 150.00 139.92 116.22 118.11 131.25 159.00 184.71 149.90 69.00 98.00 132.00 150.00 129.00 151.67 108.50 135.71 139.43
arachidic acid
1793.11 2537.67 2087.76 1972.00 1297.33 1439.00 1870.00 1561.00 2042.17 2308.25 2245.58 2413.78 1969.56 879.62 1180.50 926.76 1016.00 737.00 740.00 911.00 587.00 1013.00 1100.00 1116.25 940.86 795.29
arachidonic acid
538.78 551.33 583.86 563.17 447.33 552.00 805.00 227.00 493.50 476.75 655.33 577.89 4791.83 657.00 596.50 654.48 767.90 639.00 472.50 529.00 855.00 1055.00 650.17 513.75 594.14 588.86
asparagine
2539.56 3488.33 2214.48 2009.83 1516.33 2686.00 2294.00 1223.00 1957.17 2139.00 2779.92 2808.78 2226.11 3863.50 4019.00 3410.62 3054.10 3422.00 2688.00 3293.00 2748.00 3150.00 3195.67 3354.25 3117.71 3491.71
aspartic acid
1028.89 620.67 749.43 795.17 851.33 658.00 397.00 663.00 686.33 715.75 1412.08 676.89 780.89 3810.38 2779.25 3562.95 2906.00 5752.00 2813.00 3332.00 3658.00 3177.00 3395.33 2349.50 2513.50 2380.86
azelaic acid
90.67 69.33 106.76 105.83 123.67 78.00 119.00 75.00 99.00 71.50 114.50 98.00 87.17 239.75 257.75 496.71 765.50 1307.00 158.00 136.00 122.00 75.00 513.83 227.50 255.07 284.29
behenic acid
209.00 215.00 245.05 192.83 151.67 278.00 325.00 108.00 238.17 183.00 296.67 282.78 141.22 295.25 237.25 304.76 261.70 78.00 150.00 335.00 202.00 148.00 345.33 271.25 292.79 286.43
benzoic acid
3103.44 3339.00 3267.00 3118.92 2907.67 2800.00 4329.00 2252.00 2313.67 3568.25 3008.92 3014.89 3159.61 2874.62 2882.75 2626.71 2842.50 2085.00 1932.50 3221.00 2444.00 2584.00 2418.00 2737.25 2436.07 3200.00
benzylalcohol
895.78 612.67 1010.43 1043.67 1061.67 375.00 830.00 561.00 1240.17 511.25 774.33 889.67 573.56 952.88 1409.75 1580.05 2277.80 977.00 669.50 594.00 969.00 480.00 3336.83 820.50 1090.71 1883.00
beta-alanine
219.56 152.33 212.38 236.17 181.00 149.00 307.00 740.00 200.33 649.75 266.42 210.22 165.39 315.12 232.25 303.48 294.10 348.00 261.50 219.00 460.00 266.00 328.17 695.75 400.36 265.29
beta-sitosterol
154.00 119.33 107.67 117.50 88.00 54.00 146.00 95.00 119.17 128.75 88.58 111.44 221.39 137.62 110.25 98.05 113.50 58.00 52.50 91.00 116.00 123.00 92.33 149.75 86.07 91.43
butane-2,3-diol (NIST)
2243.67 5468.67 575.52 382.75 537.67 367.00 408.00 467.00 3990.17 356.00 1504.25 298.44 174.22 3262.50 6227.50 1309.52 546.50 141.00 363.50 486.00 347.00 261.00 9849.00 485.75 1441.93 429.14
capric acid
1180.78 1247.67 1237.10 1318.58 1206.00 788.00 1911.00 1315.00 701.67 1099.50 1071.50 1450.22 889.72 1070.75 1168.00 1229.00 1216.70 1348.00 514.50 830.00 915.00 1262.00 953.50 993.25 987.79 1486.86
caprylic acid
705.33 706.67 795.81 658.33 638.67 576.00 1059.00 702.00 566.67 791.50 631.42 665.89 581.17 651.88 633.00 565.38 545.50 585.00 335.00 439.00 908.00 627.00 603.17 705.25 492.64 625.29
cellobiotol
185.56 161.67 287.43 370.42 116.33 79.00 115.00 187.00 245.00 159.25 222.67 168.33 167.11 91.75 99.25 156.86 187.70 73.00 87.50 160.00 69.00 75.00 118.50 110.00 104.07 113.57
cholesterol
65741.33 46479.67 50430.10 58169.25 11395.00 19130.00 98822.00 19203.00 70967.17 49674.75 67828.83 67954.67 179620.22 48744.62 45893.50 37024.76 38606.10 16658.00 23602.00 19766.00 19274.00 73826.00 38955.67 34094.25 38004.36 33705.57
citric acid
17080.33 19149.33 18077.33 16746.92 15530.33 12739.00 23491.00 10519.00 12992.83 15869.00 17195.17 18333.78 15114.83 8304.12 10144.00 8504.38 8026.70 9666.00 9309.50 7581.00 12296.00 10224.00 7034.00 7563.50 10177.00 10053.14
citrulline
488.11 525.33 520.43 488.33 878.67 747.00 727.00 377.00 346.50 763.00 559.08 739.56 412.17 787.50 656.75 952.05 781.50 540.00 418.00 896.00 1050.00 596.00 660.00 717.25 708.21 1198.14
conduritol beta expoxide
425.67 250.33 353.10 525.50 179.00 388.00 305.00 294.00 549.67 173.25 387.83 507.67 350.89 465.62 411.00 347.19 558.90 221.00 293.00 420.00 376.00 148.00 683.83 222.00 466.71 323.14
creatinine
3514.78 4841.33 8805.05 4011.92 7305.33 4080.00 9095.00 2800.00 3148.17 5111.75 5144.00 4975.33 3885.17 6795.25 6639.75 10957.95 6845.70 3905.00 6566.00 4161.00 11276.00 5725.00 6336.17 9865.00 6951.43 8955.57
cyano-L-alanine
90.22 155.33 105.14 70.33 292.00 152.00 239.00 194.00 94.50 104.75 109.92 124.00 70.06 96.12 96.75 131.33 84.60 54.00 32.50 112.00 74.00 54.00 73.83 73.50 112.57 139.71
cysteine
1872.00 2424.33 1231.38 1290.33 1275.33 941.00 1262.00 748.00 1497.83 772.75 1521.33 1394.22 1985.50 1685.50 2646.75 1367.10 1568.50 1652.00 1092.50 2475.00 1847.00 1520.00 1270.17 1108.50 1446.86 1502.57
cysteine-glycine
210.67 376.67 237.67 272.58 127.00 222.00 330.00 51.00 261.50 154.50 267.50 293.67 202.00 243.00 268.00 193.76 178.00 104.00 199.00 137.00 274.00 205.00 195.67 177.25 210.07 219.29
cystine
2452.56 4165.33 4091.71 4450.92 1483.67 6378.00 5524.00 165.00 2884.33 5392.75 4744.58 4720.67 2608.11 5193.50 7535.75 5555.00 6108.50 3463.00 6040.00 9427.00 8045.00 10250.00 6304.17 9000.25 5817.36 7175.71
cytidine-5^-diphosphate
105.44 81.67 151.76 109.67 158.00 68.00 189.00 90.00 168.50 100.00 112.25 97.33 93.11 123.62 109.75 198.90 156.90 421.00 168.00 152.00 144.00 213.00 171.50 100.25 129.43 101.57
deoxytetronic acid NIST
884.89 3160.00 1346.95 948.50 698.00 552.00 618.00 548.00 1180.83 1198.25 1004.25 1163.00 1029.06 819.25 626.75 1104.57 1105.90 694.00 2238.50 734.00 739.00 642.00 1217.50 921.75 1669.50 1108.71
deoxythreittol NIST
1133.00 817.67 3212.00 1260.67 971.67 1040.00 1234.00 1606.00 1033.50 1296.50 1170.00 1083.11 1191.78 1103.62 1070.50 1204.43 1122.40 117.00 927.50 984.00 1160.00 1104.00 950.67 1046.25 1098.00 1264.29
dihydro-3-coumaric acid
491.44 776.67 760.14 526.58 348.00 397.00 375.00 421.00 1423.17 379.50 684.33 800.78 502.78 779.50 1053.75 797.29 554.00 292.00 455.50 334.00 410.00 1157.00 1369.67 384.50 708.29 840.86
dodecanol
225.89 316.33 290.81 249.67 282.00 407.00 424.00 316.00 208.17 310.75 277.92 287.67 212.28 248.50 290.25 255.90 238.90 44.00 132.50 485.00 182.00 441.00 224.50 280.25 225.36 255.86
erythritol
790.56 553.33 5721.57 675.92 549.67 555.00 536.00 567.00 962.17 810.00 605.75 680.78 1811.22 615.38 666.25 5282.81 778.40 437.00 757.50 550.00 503.00 282.00 1120.00 584.75 634.93 710.57
ethanolamine
1159.22 1059.33 1249.62 1174.25 1232.67 647.00 675.00 365.00 678.83 1514.25 1112.42 1060.67 373.39 698.12 883.25 1507.62 1918.30 5092.00 1805.00 3087.00 503.00 734.00 1048.50 1339.50 1328.57 1521.71
fructose
4385.78 1798.00 2445.81 2068.92 1054.33 658.00 1050.00 593.00 2142.50 1113.00 2838.58 1610.11 26254.33 4980.62 1676.50 2288.48 1551.40 967.00 4269.50 1039.00 1145.00 1167.00 1822.67 1355.25 2637.71 1976.86
fucose
706.78 699.67 671.52 474.08 365.00 559.00 406.00 406.00 943.50 422.00 617.00 604.56 508.94 751.62 747.00 645.10 540.90 261.00 471.00 372.00 409.00 355.00 893.00 405.50 581.86 616.00
fucose + rhamnose
1107.56 683.33 1128.81 970.67 828.00 1221.00 1131.00 800.00 950.50 1184.50 926.50 925.33 973.28 1066.38 779.50 932.24 911.80 725.00 962.50 1281.00 1016.00 856.00 917.67 924.25 883.36 835.14
fumaric acid
235.33 325.33 295.48 233.92 422.33 323.00 305.00 238.00 244.83 297.75 269.67 254.56 216.22 310.38 232.75 304.19 277.70 273.00 351.50 231.00 337.00 282.00 265.33 237.50 271.21 291.43
galactonic acid
240.89 259.00 276.38 241.42 165.00 203.00 303.00 208.00 239.00 193.75 269.75 221.89 256.17 216.38 228.75 247.62 210.70 144.00 188.00 182.00 350.00 124.00 147.00 196.50 206.14 188.29
galactose-6-phosphate
49.67 65.67 67.29 55.92 67.33 92.00 122.00 37.00 55.50 57.50 59.42 71.44 47.22 55.38 82.00 58.81 75.10 35.00 67.50 59.00 52.00 52.00 50.50 52.25 50.00 42.43
gamma-glutamyl-valine
80.44 73.33 92.90 84.75 211.67 83.00 111.00 73.00 65.33 89.25 93.92 131.22 59.72 70.50 75.00 79.19 90.70 73.00 75.00 95.00 78.00 62.00 73.67 64.75 86.21 65.86
gamma-tocopherol
360.11 531.67 398.24 325.42 101.67 94.00 231.00 58.00 589.33 283.75 383.42 391.44 636.33 360.25 392.00 566.14 225.40 146.00 194.50 166.00 121.00 481.00 771.67 267.75 287.14 364.86
gluconic acid
161.67 234.33 268.14 241.17 129.00 194.00 245.00 198.00 204.00 190.75 188.50 235.44 244.72 158.12 145.50 220.48 199.90 118.00 176.00 159.00 209.00 119.00 173.50 176.00 164.29 172.00
glucose
151403.22 119120.67 198251.24 212663.58 106689.33 278480.00 119480.00 155985.00 140664.17 144641.25 208640.42 135519.11 160672.89 135664.50 118314.25 154440.43 179276.00 129909.00 293911.50 218891.00 98976.00 155606.00 168843.50 117996.00 177319.07 121918.00
glucuronic acid
356.67 371.00 1281.57 485.33 315.67 223.00 358.00 359.00 1414.17 469.00 463.17 309.78 886.17 361.62 596.00 1015.48 534.60 245.00 390.50 306.00 333.00 407.00 771.50 461.00 413.14 408.86
glutamic acid
7336.67 5409.00 7560.38 7154.92 7523.67 6201.00 3816.00 5592.00 7196.33 6402.75 6825.33 5456.78 6202.17 7656.88 4928.50 8052.48 6544.60 12740.00 6731.50 7029.00 6837.00 8277.00 6976.67 5239.50 6769.64 5823.71
glutamine
39331.67 66090.67 45354.05 45065.33 32771.67 68491.00 52759.00 22431.00 44265.67 42570.75 48319.75 55333.89 31332.44 43205.38 46819.25 40286.33 41079.50 20763.00 32197.00 40293.00 30700.00 39456.00 47341.17 49004.25 39867.07 52597.43
glutaric acid
102.89 142.67 158.76 87.17 129.67 78.00 159.00 108.00 105.50 86.50 99.17 108.11 99.50 99.88 115.25 120.86 113.40 131.00 69.00 101.00 190.00 80.00 101.00 130.00 76.79 122.43
glyceric acid
1582.67 1772.00 1565.38 1727.50 1820.00 1321.00 1629.00 2090.00 1443.67 1517.00 1419.33 1442.44 2760.33 2266.38 2663.50 2045.38 2202.00 2999.00 1794.50 2328.00 2254.00 1718.00 1414.17 2059.50 1760.71 2081.86
glycerol
19191.67 28433.33 17169.19 14745.67 17210.00 8486.00 24203.00 11524.00 12889.00 14504.25 16417.17 15650.89 14717.00 16301.75 21828.00 13797.48 14634.30 17439.00 12464.00 7375.00 17398.00 15213.00 12264.17 10722.25 14713.86 14542.43
glycerol-3-galactoside
438.78 345.67 442.95 385.33 96.00 399.00 521.00 542.00 350.33 260.50 439.17 354.67 1276.28 168.38 152.00 238.67 127.80 102.00 132.00 346.00 213.00 132.00 182.33 333.25 201.29 181.14
glycerol-alpha-phosphate
351.78 312.33 298.81 419.17 240.33 199.00 416.00 237.00 351.50 267.75 404.42 287.89 3259.00 376.88 367.75 384.10 367.70 660.00 327.00 275.00 503.00 361.00 351.67 339.50 374.36 319.14
glycine
84699.00 85580.33 79540.43 91005.58 87103.67 102420.00 142704.00 56663.00 73789.67 83637.50 73963.92 78389.33 67374.67 102426.50 103280.25 89415.43 91800.30 88527.00 118904.00 117359.00 142437.00 73775.00 91090.33 82464.50 80805.86 87344.71
glycolic acid
645.11 926.67 635.76 663.08 365.67 603.00 1011.00 225.00 550.00 632.00 569.92 739.44 761.56 462.38 422.00 441.00 451.20 386.00 394.00 456.00 765.00 548.00 430.83 450.50 441.29 543.00
glyoxalurea NIST
217.67 156.00 242.57 182.75 321.33 140.00 257.00 331.00 280.67 242.00 214.75 251.11 168.44 470.12 313.50 391.00 331.70 34.00 148.00 468.00 492.00 306.00 359.67 258.00 327.50 272.00
guanosine
59.11 64.67 66.67 55.08 55.33 99.00 148.00 54.00 47.33 69.00 70.08 62.56 42.06 65.75 61.25 75.00 77.20 52.00 32.00 54.00 74.00 53.00 69.17 96.00 60.93 68.43
heptadecanoic acid NIST
406.78 373.33 620.43 432.83 398.00 388.00 470.00 350.00 539.67 639.50 586.92 506.00 614.00 262.62 285.25 392.05 555.10 322.00 316.00 427.00 220.00 556.00 434.17 475.75 430.71 336.71
hippuric acid
10373.00 4412.00 8345.57 6634.17 8576.00 3867.00 5421.00 17347.00 8739.83 16070.00 6353.17 5506.44 8494.00 8957.75 9917.00 8325.19 4947.40 21327.00 6903.50 11506.00 9820.00 23004.00 8154.67 7807.25 7754.00 7351.00
histidine
4704.67 7715.00 6045.86 6132.33 2562.33 12282.00 7280.00 3471.00 5975.00 5798.50 8112.42 7401.89 3328.22 7802.88 9629.50 8013.29 8353.50 4569.00 6732.50 9487.00 9113.00 9416.00 8562.17 10517.75 8555.36 8763.29
hydroxylamine
1340.33 1040.67 1197.29 1313.92 1252.67 1302.00 1784.00 1388.00 954.17 1351.75 1214.58 1182.22 807.11 2124.38 1943.50 1780.10 1972.30 1800.00 679.50 1897.00 1030.00 1588.00 1956.17 1665.25 1553.21 2006.43
hypoxanthine
381.78 430.67 506.52 452.00 421.67 636.00 861.00 219.00 569.50 515.25 415.42 378.78 439.28 1177.12 1036.75 1512.48 1183.10 2656.00 1051.50 1555.00 2516.00 1298.00 1263.50 1804.00 1187.36 950.14
indole-3-acetate
837.33 603.00 916.81 745.67 654.33 738.00 638.00 814.00 631.50 750.50 750.17 1045.11 745.06 987.25 648.50 976.19 768.80 370.00 634.50 678.00 526.00 569.00 616.17 777.75 710.43 933.43
indole-3-lactate
456.56 593.33 617.95 472.33 444.67 794.00 441.00 589.00 543.00 561.25 562.92 637.44 441.78 520.38 573.50 616.86 420.50 409.00 265.00 828.00 372.00 422.00 589.83 509.75 472.00 595.71
inosine
67.89 71.67 114.10 63.50 59.00 66.00 86.00 30.00 64.50 96.00 92.92 72.33 66.94 170.88 87.50 305.86 142.40 80.00 45.50 92.00 311.00 65.00 136.33 892.75 85.71 120.43
inosine 5^-monophosphate
84.89 75.67 95.33 126.83 89.67 99.00 89.00 81.00 86.50 85.00 94.92 74.44 68.50 66.12 64.25 56.71 53.10 50.00 60.00 33.00 90.00 57.00 57.33 55.00 49.71 76.43
inositol myo-
5617.22 4380.00 8894.57 7274.25 4466.67 5468.00 6004.00 6395.00 6159.17 6971.00 6151.08 5700.44 6264.28 5805.38 5383.25 7170.81 6649.90 5434.00 5740.00 6116.00 6689.00 5197.00 5653.83 6508.75 5761.86 6250.71
inulobiose
291.22 1148.67 489.67 258.42 89.33 194.00 233.00 127.00 261.17 174.75 239.00 367.56 258.28 216.38 978.75 381.29 208.60 86.00 327.50 282.00 186.00 96.00 195.50 179.25 233.21 256.43
isocitric acid
526.89 463.67 581.43 490.42 466.67 365.00 577.00 350.00 466.67 476.25 530.67 548.56 452.17 226.00 252.50 229.00 183.50 33.00 130.50 175.00 259.00 182.00 203.67 191.50 236.64 237.57
isoleucine
27209.00 25858.33 29056.48 25330.92 23783.00 28363.00 32336.00 43194.00 23964.50 42752.00 34249.83 30289.00 27463.94 24895.12 24640.25 26696.52 21863.90 20912.00 23317.00 29131.00 24393.00 27064.00 24086.33 34784.00 29719.64 28673.71
isolinoleic acid NIST
168.22 117.67 173.86 150.67 126.33 165.00 470.00 115.00 113.50 112.50 152.83 155.00 180.00 120.75 118.25 119.57 129.20 105.00 68.50 137.00 124.00 121.00 121.67 104.00 121.64 110.29
isothreonic acid
534.56 522.33 875.71 527.75 468.00 406.00 544.00 495.00 586.83 503.25 467.92 528.00 696.83 475.00 529.25 746.43 481.50 415.00 556.00 423.00 499.00 404.00 499.33 441.75 468.71 480.29
kynurenine
495.89 187.33 151.10 310.92 112.33 228.00 173.00 36.00 119.50 126.50 182.00 170.44 546.17 178.00 217.75 382.00 336.50 2643.00 1829.00 283.00 118.00 187.00 222.50 195.00 144.07 168.71
lactamide
282.78 202.00 302.95 334.75 523.67 333.00 807.00 223.00 259.33 271.00 287.00 309.78 228.83 290.62 268.00 273.05 286.80 296.00 214.50 501.00 393.00 113.00 256.33 201.00 265.21 330.86
lactic acid
66727.00 66261.50 73350.29 103921.83 140942.00 47328.00 106376.00 53003.00 97258.33 45453.00 83041.00 69706.44 70889.11 94699.00 66501.00 90645.85 76269.30 179716.00 100584.50 65788.00 114506.00 77354.00 76755.33 55202.75 90993.00 84230.14
lathosterol NIST
66.11 66.33 64.14 75.83 70.00 82.00 167.00 44.00 58.33 62.25 78.08 70.67 90.39 67.25 49.25 65.90 72.40 33.00 59.50 45.00 64.00 62.00 80.50 53.50 64.50 68.00
lauric acid
4348.67 4754.67 4693.19 5506.17 3768.67 1814.00 3787.00 4998.00 1660.00 3675.50 3801.67 5978.67 3631.56 3997.38 3736.50 4428.24 3782.70 5342.00 1669.50 1887.00 2319.00 5800.00 2322.83 1552.75 3815.86 6471.71
leucine
39982.44 35497.33 39756.52 35299.42 40855.33 39256.00 11593.00 70054.00 36968.83 47849.75 46546.50 46034.67 38305.61 43311.75 40999.75 46417.95 41923.10 44672.00 41693.00 49989.00 50862.00 49398.00 36666.50 54137.75 45565.93 49045.00
levanbiose
87.56 122.00 173.86 101.25 62.67 95.00 95.00 80.00 73.00 105.00 103.17 85.89 69.72 137.25 175.75 166.86 188.70 220.00 115.00 358.00 134.00 293.00 153.33 126.25 132.64 125.86
levoglucosan
554.56 217.00 736.05 336.33 549.00 362.00 1203.00 836.00 503.83 366.75 494.50 363.67 396.50 542.62 236.00 569.00 309.20 587.00 216.50 370.00 909.00 209.00 450.00 234.50 400.64 474.71
lignoceric acid
317.22 287.33 270.14 317.58 179.33 99.00 290.00 171.00 359.33 259.25 271.75 250.56 197.00 275.88 329.00 294.05 209.40 157.00 115.00 165.00 230.00 170.00 492.83 226.50 184.29 267.71
linoleic acid
806.89 961.67 1164.52 1242.42 1642.33 781.00 2434.00 802.00 1006.83 1200.00 1185.17 1065.89 1744.11 590.12 882.25 896.05 1078.30 1865.00 1051.00 856.00 1476.00 2487.00 912.50 905.25 945.00 1153.86
linolenic acid
924.00 977.33 1011.86 1444.83 1324.67 1165.00 3633.00 1027.00 1173.00 1324.25 1218.33 1352.89 1896.39 706.62 912.25 1031.38 1274.00 49.00 374.00 1408.00 1958.00 3524.00 1076.83 1035.50 956.07 935.71
lysine
20515.11 25847.33 24139.29 25096.25 20059.33 45266.00 23886.00 26380.00 17833.17 29771.75 28907.67 28171.44 19686.22 22835.25 29722.25 26595.29 26769.50 8438.00 20826.00 35271.00 20735.00 23275.00 23801.67 32447.75 27431.64 30798.71
lyxose
139.00 73.33 122.10 95.00 214.00 96.00 72.00 129.00 122.17 166.50 199.17 148.00 99.28 157.88 96.75 230.90 97.60 62.00 67.50 144.00 81.00 75.00 122.00 108.75 173.50 178.71
maleimide
364.78 409.00 435.90 454.75 421.00 313.00 486.00 247.00 418.83 356.75 460.50 497.11 313.56 1027.12 1318.50 1116.76 883.10 649.00 600.00 509.00 799.00 675.00 1389.17 1102.00 938.00 1053.29
malic acid
260.67 221.33 281.62 280.67 213.67 110.00 266.00 141.00 232.67 173.50 253.33 230.56 216.89 223.50 173.00 213.52 179.10 342.00 282.50 78.00 208.00 209.00 164.67 142.25 191.57 165.29
malonic acid
3277.44 18680.00 1872.62 1460.08 4531.67 818.00 826.00 3199.00 933.17 983.00 4533.67 1631.89 1557.78 3622.88 14135.25 3435.76 1778.40 1481.00 833.50 785.00 1325.00 1736.00 1228.17 1101.50 3306.57 2194.14
maltose
563.33 170.33 755.05 869.33 276.33 93.00 126.00 599.00 634.17 294.50 591.08 343.56 493.89 202.25 172.50 328.19 482.20 176.00 230.00 120.00 176.00 141.00 234.17 165.75 228.14 230.14
maltotriose
305.33 319.67 305.29 441.50 161.00 65.00 157.00 294.00 313.67 193.50 326.00 147.89 197.61 97.88 84.25 104.05 167.40 49.00 49.00 90.00 89.00 86.00 94.50 94.25 111.36 83.43
mannitol
6636.89 12615.33 10228.10 8177.83 7217.33 4555.00 2714.00 2977.00 13539.83 9872.00 6784.33 9680.44 8748.28 6233.62 10635.00 8747.00 9986.30 21665.00 5791.50 4003.00 2463.00 1984.00 12007.17 9074.00 6030.36 10272.14
methanolphosphate
351.33 354.00 287.19 284.58 625.33 228.00 327.00 144.00 348.67 236.75 321.67 285.44 479.83 359.75 228.00 254.76 306.90 124.00 104.50 107.00 316.00 197.00 290.33 166.25 217.36 299.71
methionine
2261.33 2737.67 2091.62 1868.25 1948.00 2861.00 1886.00 3338.00 1944.00 2900.25 2496.92 2506.22 2121.50 2198.25 2454.50 2050.38 1859.40 2038.00 1890.50 3350.00 1906.00 2592.00 2062.83 2913.25 2505.71 2412.86
methionine sulfoxide
828.22 449.67 798.29 732.25 736.67 619.00 579.00 735.00 775.50 1332.00 658.75 600.67 874.00 835.88 784.00 754.48 617.50 1786.00 1019.50 969.00 833.00 1834.00 778.00 921.00 740.21 606.14
methylhexadecanoic acid
1432.78 1426.67 1501.00 1428.33 1392.00 1774.00 1955.00 1356.00 1541.00 1482.50 1480.92 1533.00 1869.44 1320.62 1505.00 1618.48 1662.10 1564.00 1483.00 1503.00 1345.00 1998.00 1459.83 1470.00 1452.57 1461.57
myristic acid
977.11 941.00 1198.86 1195.00 1325.33 889.00 1650.00 1214.00 860.50 1208.00 1152.83 1297.22 1014.61 996.50 808.50 1078.29 1187.20 1231.00 766.50 912.00 961.00 1255.00 839.33 855.75 1020.36 1243.00
N-acetylglutamate
374.44 233.33 365.29 296.50 401.67 195.00 313.00 372.00 465.50 368.50 344.17 320.67 312.89 360.38 411.75 352.43 263.50 28.00 149.50 291.00 310.00 347.00 479.67 341.50 325.43 318.00
N-acetylglycine NIST
233.44 344.33 209.67 159.33 167.00 206.00 548.00 277.00 198.33 207.00 176.50 135.33 145.56 216.25 324.50 155.95 122.20 52.00 79.50 203.00 209.00 73.00 163.67 165.25 199.86 146.71
N-acetylmannosamine
135.67 142.33 148.33 169.50 117.00 188.00 107.00 151.00 127.33 239.50 162.67 137.67 127.06 129.12 130.75 124.24 153.10 25.00 171.00 182.00 107.00 141.00 160.17 193.25 136.43 134.86
naproxen
415.44 116.00 10790.71 2635.83 90.33 153.00 173.00 69.00 9538.17 9587.00 10624.75 118.11 4333.50 97.75 123.50 6077.95 10620.90 1952.00 1001.00 184.00 160.00 132.00 7804.00 8957.50 7992.14 106.00
nicotinic acid
795.22 604.00 617.14 560.75 944.33 320.00 500.00 1293.00 731.17 889.25 571.92 621.89 409.50 103.62 112.50 96.29 93.00 59.00 37.00 189.00 162.00 64.00 105.83 101.50 177.50 102.57
N-methylalanine
7492.22 6177.00 8262.00 8694.42 8249.33 7023.00 8874.00 7008.00 7074.67 10325.50 8767.50 9517.22 6747.22 6218.12 7939.50 7863.67 7042.90 5969.00 6949.00 7224.00 9634.00 7178.00 6844.17 9510.25 7596.07 8753.29
octadecanol
145.56 122.33 169.81 156.00 184.00 207.00 266.00 151.00 132.83 211.75 138.42 151.22 143.78 137.12 150.00 156.57 156.50 123.00 105.50 208.00 179.00 206.00 178.33 145.75 124.07 129.43
oleic acid
3598.44 2100.33 3515.24 3858.17 3751.33 2651.00 9117.00 1639.00 3673.17 2994.25 4082.75 3148.89 4557.83 2342.50 2220.75 2599.19 3262.30 4422.00 2925.00 2425.00 4575.00 5020.00 3321.33 2180.00 3018.64 2941.57
ornithine
16461.78 20518.00 19302.81 21837.92 21902.33 44524.00 33867.00 23778.00 16522.83 22734.00 21755.42 21437.78 16021.78 24107.12 27094.75 26587.19 24466.00 27061.00 20182.50 46394.00 36435.00 28533.00 22703.67 26898.50 24801.71 28841.71
oxalic acid
243421.44 199624.00 206564.62 187213.42 264307.33 88697.00 206822.00 379788.00 264278.50 252688.25 149903.08 195475.89 153160.06 9052.88 10718.50 9798.00 12354.10 10205.00 9764.50 13415.00 9796.00 10970.00 9922.33 8015.00 45181.43 10625.43
oxoproline
47369.56 43130.33 45157.24 42818.33 52369.33 37005.00 40692.00 46470.00 50693.83 44098.25 46521.00 41628.00 56450.44 53974.25 60110.50 53182.81 44684.10 60627.00 44353.50 53939.00 51522.00 56921.00 56685.17 48517.25 49786.79 52122.86
palmitic acid
16314.78 13848.67 15065.19 15699.42 15382.67 13248.00 24574.00 11356.00 16832.00 16251.50 17148.42 15167.00 18498.39 11170.00 12424.00 12041.67 12498.50 11624.00 8560.00 9449.00 9662.00 14279.00 12990.33 10704.25 10888.64 12120.00
palmitoleic acid
3607.67 1579.67 2783.38 2219.67 1986.00 1361.00 8114.00 877.00 2217.67 1579.50 3064.92 2199.33 2528.44 3552.38 2012.50 2104.62 2254.50 1326.00 1333.00 1425.00 5010.00 1511.00 2119.00 1356.00 2541.93 1953.86
parabanic acid NIST
814.22 614.00 706.43 612.42 913.33 403.00 807.00 1211.00 775.17 851.50 430.25 657.00 415.94 284.75 307.25 266.24 189.20 94.00 131.50 183.00 240.00 292.00 236.67 251.25 345.50 258.00
paracetamol
1136.33 4297.33 576.48 354.42 80.67 81.00 51.00 140.00 2312.50 248.75 85.75 116.44 467.28 1832.88 4577.25 628.00 361.40 19.00 52.00 83.00 64.00 65.00 1783.83 374.25 74.50 167.00
p-cresol
802.78 664.33 989.48 950.92 959.33 375.00 830.00 978.00 1377.17 695.00 848.08 927.78 548.78 1477.62 1551.00 1573.43 2400.80 668.00 503.00 594.00 969.00 641.00 3638.67 880.75 1153.21 1980.71
pelargonic acid
7037.00 8088.33 6579.00 6894.75 6381.00 4371.00 8349.00 6529.00 3302.50 7929.50 6339.83 5651.33 5832.17 7370.62 6877.75 6821.86 7044.10 6486.00 4117.00 4464.00 5802.00 6969.00 4880.17 7289.50 6082.79 7334.71
phenylalanine
11039.56 10061.33 11219.43 10791.58 9773.00 11277.00 9099.00 14050.00 9885.50 13998.75 12084.08 12246.78 10775.56 14471.88 11673.50 13209.10 12963.10 12837.00 9498.00 12797.00 10268.00 12946.00 12329.83 13174.25 12754.50 12992.86
phenylethylamine
389.11 366.67 356.10 488.25 140.00 610.00 327.00 217.00 367.67 278.50 293.25 297.89 226.06 423.38 325.50 435.19 449.20 361.00 288.50 702.00 311.00 655.00 448.17 504.75 317.36 491.00
phosphoethanolamine
296.44 296.67 286.67 314.75 284.67 303.00 432.00 252.00 252.50 252.25 245.75 243.89 141.67 166.00 153.00 205.10 178.70 100.00 114.00 228.00 123.00 205.00 172.17 244.50 178.57 215.14
pipecolic acid
332.33 261.33 353.00 334.67 175.00 1469.00 336.00 171.00 266.00 115.00 304.17 309.11 221.50 1031.50 664.75 987.38 1082.60 254.00 452.50 5433.00 386.00 686.00 618.00 560.50 770.07 830.14
proline
43656.89 43151.67 46884.86 44649.50 26163.67 85306.00 66761.00 34046.00 34678.17 38189.00 54885.75 56623.78 42301.17 69499.88 65647.25 65209.81 63717.60 68062.00 71414.50 110467.00 84591.00 45371.00 52503.50 63590.50 58830.14 80028.29
pseudo uridine
1209.44 1139.00 1797.19 1228.42 962.33 1125.00 1629.00 1297.00 1548.00 1199.00 1231.83 1251.22 1317.17 1067.50 1199.25 1241.19 932.60 624.00 909.00 885.00 1154.00 927.00 1286.00 824.00 917.21 1035.71
pyrophosphate
1881.44 2207.67 1753.62 2626.00 2004.00 664.00 1353.00 1805.00 1801.33 1368.00 1733.92 1328.78 959.33 732.12 1049.50 676.48 639.70 619.00 555.00 1008.00 922.00 789.00 715.50 830.00 707.36 948.71
pyruvic acid
3729.12 3588.50 4152.19 4806.92 5281.33 3483.00 4599.00 2875.00 3624.67 4150.00 4257.82 4208.78 2748.72 2052.14 965.33 1678.95 1534.40 315.00 1945.50 1532.00 1526.00 1978.00 1378.33 1403.50 2326.31 1455.86
quinic acid
699.89 254.67 869.57 778.33 469.00 95.00 690.00 659.00 310.83 437.25 470.25 435.33 619.33 575.25 497.25 760.48 755.30 261.00 493.50 69.00 379.00 884.00 433.83 380.75 449.86 403.57
ribitol
328.56 346.33 680.33 376.25 183.33 414.00 348.00 352.00 196.33 272.75 322.75 489.78 270.44 301.75 544.50 500.24 341.10 247.00 150.00 343.00 372.00 263.00 295.50 279.00 291.07 361.00
saccharic acid
103.00 99.00 198.43 106.17 111.33 102.00 167.00 131.00 177.33 82.00 88.92 105.78 123.83 81.12 126.25 120.19 73.90 69.00 67.00 36.00 162.00 74.00 127.33 80.75 75.21 85.57
salicylaldehyde
125.11 132.67 164.43 113.58 184.33 273.00 216.00 106.00 99.67 205.50 172.50 165.22 965.39 123.62 126.00 210.71 102.50 126.00 94.00 219.00 218.00 191.00 96.33 135.00 117.29 117.43
salicylic acid
5970.33 2950.00 4338.81 2777.00 5352.33 106.00 138.00 63.00 7768.17 4422.50 123.25 616.67 2442.72 2200.00 2499.75 4083.62 2784.90 69.00 68.50 109.00 103.00 78.00 6256.83 3317.75 98.86 146.00
serine
15730.89 13887.33 16898.24 16699.17 19092.00 20225.00 28946.00 11009.00 12259.17 19018.25 17309.92 15960.56 14875.22 20428.75 19624.00 20605.95 18216.60 23564.00 19503.00 25638.00 33588.00 28292.00 17519.33 18087.75 20196.29 19299.29
shikimic acid
709.44 1320.00 301.05 268.08 162.33 237.00 124.00 147.00 281.50 177.00 791.33 1261.11 366.61 2005.38 2061.75 1459.95 1523.20 187.00 585.00 1193.00 1418.00 1407.00 1726.67 1200.50 1441.21 1240.43
sorbitol
523.22 318.33 499.29 469.42 307.67 417.00 253.00 231.00 622.67 732.50 609.67 368.22 368.11 579.62 576.25 492.00 501.70 212.00 561.00 418.00 457.00 404.00 505.50 255.75 481.21 302.86
stearic acid
86804.56 95100.67 86060.90 79713.25 66376.00 99396.00 110062.00 84483.00 94269.83 89109.75 83449.83 85188.78 98790.22 68112.62 87420.00 75927.29 76237.40 68840.00 55269.00 75032.00 56425.00 88900.00 81302.50 78045.25 64350.79 69313.71
stigmasterol
87.44 84.67 75.24 93.75 60.33 134.00 134.00 71.00 75.83 85.50 64.50 76.56 63.28 72.88 67.00 69.00 82.10 54.00 53.50 102.00 48.00 55.00 55.00 52.50 58.14 77.86
succinic acid
193.78 270.33 247.52 334.42 263.33 142.00 233.00 150.00 230.83 242.75 251.25 240.00 324.44 305.38 305.75 303.90 291.10 350.00 280.00 281.00 359.00 220.00 236.83 258.75 248.14 338.71
sucrose
189.44 112.33 531.43 153.92 106.33 36.00 150.00 63.00 383.83 98.00 162.75 145.22 165.50 124.75 215.00 362.10 89.80 30.00 207.50 74.00 89.00 47.00 276.50 156.25 295.07 146.43
tagatose
437.89 432.33 538.81 426.42 420.33 422.00 249.00 457.00 427.50 663.75 394.83 423.89 753.00 361.62 395.00 434.86 359.40 702.00 357.50 615.00 288.00 820.00 443.83 494.00 405.93 389.86
taurine
1350.22 1652.33 1920.38 2200.58 1273.33 1290.00 1106.00 1916.00 2233.33 778.00 1882.75 1461.78 1364.44 3268.25 3764.00 3975.48 4035.10 5634.00 4045.50 4885.00 6447.00 3861.00 3640.33 2870.25 3146.07 3886.57
threitol
360.33 255.33 452.24 317.83 228.33 265.00 286.00 332.00 312.17 305.50 327.00 357.33 266.67 360.25 298.75 378.76 284.20 174.00 221.00 268.00 188.00 150.00 287.50 296.75 325.50 309.29
threonic acid
1174.78 1385.33 990.00 1459.83 1364.00 1281.00 1489.00 491.00 867.67 1195.00 1116.33 1077.89 1172.83 1870.50 2704.25 1796.52 2441.40 1868.00 1491.00 2632.00 2339.00 1620.00 1310.67 2160.50 1621.86 1840.00
threonine
18986.00 20548.00 17251.00 17573.50 15380.67 27366.00 16171.00 18369.00 14292.50 22655.25 19217.58 20308.44 17102.89 18429.38 20913.00 17511.43 16363.30 14637.00 14157.00 28012.00 16394.00 21995.00 15119.00 20701.25 19429.93 19646.57
tocopherol alpha
1680.22 1329.00 1560.76 1839.33 342.67 613.00 1087.00 567.00 2121.83 1553.50 1687.58 1899.11 4361.06 1741.00 1070.75 1213.52 1594.30 727.00 834.50 639.00 485.00 1294.00 1253.83 1244.50 1201.07 1225.57
trans-4-hydroxyproline
598.78 805.67 957.24 612.25 727.00 2955.00 663.00 423.00 848.67 986.25 744.50 952.89 476.50 698.75 808.75 792.14 622.10 52.00 857.00 2177.00 667.00 701.00 1057.33 673.50 790.64 1087.71
trihydroxypyrazine NIST
121.89 105.00 133.24 98.75 110.33 101.00 148.00 81.00 128.50 101.75 88.92 121.11 105.00 64.50 74.25 66.38 67.30 30.00 28.50 83.00 69.00 29.00 55.33 58.50 64.50 55.71
tryptophan
19147.67 26814.33 18573.43 21064.00 11814.00 40541.00 19547.00 11493.00 11810.17 27653.00 26034.58 28523.11 19527.78 28950.88 33420.50 25911.00 25234.90 19793.00 23138.00 41731.00 21111.00 40393.00 26316.17 33560.00 27355.93 30415.57
tyrosine
25869.78 30910.33 27053.48 25811.33 20087.00 36963.00 18107.00 42689.00 20716.67 32055.25 32786.50 31116.44 24595.06 25755.12 25860.50 26710.24 25502.80 14927.00 20745.00 32366.00 15726.00 32120.00 23260.50 29453.50 29325.79 28552.71
urea
193871.22 238957.67 165042.48 184180.92 265650.00 182128.00 16977.00 166416.00 199396.33 170547.50 140024.58 204216.44 178791.50 166358.00 147852.75 163926.90 193966.90 124607.00 125447.50 28030.00 175486.00 124554.00 172304.50 226521.00 153687.29 147986.14
uric acid
18696.89 25230.67 17970.48 13448.17 11778.67 24508.00 15071.00 15489.00 20609.00 12811.75 15781.00 19543.00 19437.00 14314.62 23587.75 13780.81 11677.90 15913.00 12646.00 22294.00 10339.00 25317.00 21362.83 7997.25 12079.79 18450.57
uridine
133.22 69.00 168.81 172.42 116.00 176.00 54.00 118.00 140.00 140.50 131.08 164.44 104.78 67.88 111.00 111.00 108.90 63.00 68.00 113.00 148.00 110.00 122.50 89.50 99.86 81.71
valine
80598.44 80905.67 83284.71 74280.50 79138.33 76000.00 92099.00 105985.00 58639.67 97764.25 90164.92 83585.00 69674.72 77508.88 83772.00 80590.38 72785.00 71868.00 59854.50 83751.00 81194.00 76406.00 61643.67 91347.75 80671.36 85390.43
xanthine
72.22 83.33 91.00 62.17 75.00 57.00 138.00 77.00 75.00 59.50 90.08 74.33 74.39 143.62 127.50 138.90 137.70 139.00 117.50 115.00 244.00 147.00 148.00 102.00 116.43 142.57
xylitol
948.00 180.00 325.62 280.42 249.00 203.00 260.00 168.00 970.17 240.50 268.58 269.56 298.61 1048.12 288.50 307.05 261.00 174.00 187.50 219.00 180.00 169.00 1111.33 188.00 200.29 422.29
xylose
325.44 238.67 465.43 183.00 216.67 321.00 297.00 194.00 299.67 356.50 418.75 210.22 184.83 362.62 247.50 305.57 193.60 11.00 98.50 350.00 244.00 137.00 208.00 247.50 389.36 245.57

Factors:

F1Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Current | Gender:F
F2Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Current | Gender:M
F3Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Former | Gender:F
F4Organ:Plasma | Cancer status:Adenocarcinoma | Smoker:Former | Gender:M
F5Organ:Plasma | Cancer status:Adenocarcnoma | Smoker:Former | Gender:F
F6Organ:Plasma | Cancer status:Adenosquamous | Smoker:Current | Gender:F
F7Organ:Plasma | Cancer status:Adenosquamous | Smoker:Current | Gender:M
F8Organ:Plasma | Cancer status:Adenosquamous | Smoker:Former | Gender:M
F9Organ:Plasma | Cancer status:Healthy | Smoker:Current | Gender:F
F10Organ:Plasma | Cancer status:Healthy | Smoker:Current | Gender:M
F11Organ:Plasma | Cancer status:Healthy | Smoker:Former | Gender:F
F12Organ:Plasma | Cancer status:Healthy | Smoker:Former | Gender:M
F13Organ:Plasma | Cancer status:NA | Smoker:NA | Gender:NA
F14Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Current | Gender:F
F15Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Current | Gender:M
F16Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Former | Gender:F
F17Organ:Serum | Cancer status:Adenocarcinoma | Smoker:Former | Gender:M
F18Organ:Serum | Cancer status:Adenocarcnoma | Smoker:Former | Gender:F
F19Organ:Serum | Cancer status:Adenocarcnoma | Smoker:Former | Gender:M
F20Organ:Serum | Cancer status:Adenosquamous | Smoker:Current | Gender:F
F21Organ:Serum | Cancer status:Adenosquamous | Smoker:Current | Gender:M
F22Organ:Serum | Cancer status:Adenosquamous | Smoker:Former | Gender:M
F23Organ:Serum | Cancer status:Healthy | Smoker:Current | Gender:F
F24Organ:Serum | Cancer status:Healthy | Smoker:Current | Gender:M
F25Organ:Serum | Cancer status:Healthy | Smoker:Former | Gender:F
F26Organ:Serum | Cancer status:Healthy | Smoker:Former | Gender:M
  logo