Data for ST000979   

(Analysis AN001603): Average values per metabolite and experimental factor (Units:Counts)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37
1,2-anhydro-myo-inositol NIST
13769.55 9757.00 18540.00 22223.00 14803.00 22650.00 21330.50 8058.00 14347.00 19752.00 14273.00 19212.50 15500.00 9935.00 7434.00 18806.00 6204.00 7454.00 5980.00 22834.00 16388.00 16834.00 24876.00 23258.67 13527.00 14495.00 16404.00 19413.00 18257.00 14152.00 13771.00 9992.00 8974.00 3047.00 2315.00 6565.00 6244.00
1,5-anhydroglucitol
10475.36 5252.00 7252.00 4078.00 8028.00 4157.00 3304.50 17947.00 10525.00 14037.00 17420.00 11785.00 14728.50 808.00 2599.00 142984.00 1887.00 2254.50 2549.50 4365.00 17554.00 4974.00 8036.00 11793.33 3624.00 17492.00 24373.00 20873.00 13785.00 10031.33 21853.00 2221.00 2602.00 2336.00 7994.00 2468.50 2808.00
1-hexadecanol
1683.91 547.00 1308.00 426.00 309.00 516.50 550.50 199.00 268.00 197.00 232.00 243.00 361.00 260.00 829.00 613.00 308.00 848.50 936.50 959.00 519.00 208.00 468.00 590.67 313.00 183.00 340.00 485.00 188.00 244.00 204.00 1291.00 1326.00 691.00 190.00 862.00 1073.00
1-kestose
14611.64 259.00 488.00 537.00 1918.00 259.50 360.50 53369.00 41965.00 34139.00 203089.00 72327.00 127009.50 10.00 24.00 100.00 49.00 41.00 53.00 488.00 138.00 685.00 1553.00 2521.33 32.00 79887.00 204071.00 69347.00 122258.00 65368.33 218.00 907.00 37.00 22.00 188.00 41.00 94.00
1-methyladenosine
240.64 133.00 184.00 876.00 618.00 829.50 836.00 495.00 463.00 2057.00 1106.00 916.50 396.50 316.00 212.00 186.00 140.00 171.00 29.00 849.00 586.00 525.00 2479.00 1216.67 514.00 894.00 628.00 2352.00 1062.00 762.00 845.00 54.00 83.00 69.00 796.00 128.50 278.00
1-monoolein
61715.27 19963.00 8186.00 9796.00 53831.00 8454.00 9975.50 5071.00 4964.00 57391.00 7910.00 95270.50 87900.50 6782.00 2905.00 27294.00 12186.00 2425.50 11404.00 23166.00 11562.00 10235.00 22233.00 35542.67 12089.00 10007.00 9009.00 25497.00 123668.00 79727.67 45472.00 20228.00 762.00 845.00 1554534.00 6063.00 6682.00
1-monopalmitin
12103.82 6018.00 6788.00 1635.00 7542.00 6288.50 2777.00 5081.00 3193.00 2500.00 3337.00 3014.50 3844.50 2695.00 1770.00 5310.00 1521.00 730.50 4514.00 3065.00 6234.00 6478.00 16290.00 7546.67 3811.00 4766.00 2693.00 4491.00 3352.00 4161.00 3733.00 4531.00 1793.00 416.00 8772.00 2443.00 636.00
1-monostearin
2043.27 2810.00 1754.00 1404.00 6154.00 2271.50 756.00 1272.00 2045.00 1636.00 1619.00 10013.00 7796.00 1191.00 1562.00 869.00 436.00 299.50 938.50 1797.00 2890.00 830.00 1801.00 4311.67 874.00 1265.00 2251.00 2669.00 1181.00 5631.00 4051.00 1237.00 107.00 154.00 994.00 816.00 606.00
2,3-dihydroxybutanoic acid NIST
246.55 261.00 190.00 176.00 135.00 233.00 153.00 51.00 72.00 98.00 114.00 87.50 83.00 252.00 97.00 212.00 343.00 287.50 199.50 240.00 193.00 148.00 192.00 198.67 67.00 149.00 99.00 75.00 25.00 117.00 268.00 166.00 148.00 63.00 66.00 115.00 376.00
2,4-diaminobutyric acid
2510.64 3102.00 3056.00 916.00 568.00 1961.50 1688.50 329.00 179.00 197.00 350.00 199.00 185.50 2940.00 3068.00 2142.00 1652.00 3373.00 5969.50 3865.00 1198.00 1039.00 881.00 1172.00 1388.00 320.00 109.00 383.00 138.00 234.33 590.00 2069.00 3017.00 6285.00 765.00 4589.00 3080.00
2,5-dihydroxypyrazine NIST
600.27 191.00 534.00 403.00 480.00 334.50 261.50 653.00 644.00 388.00 532.00 438.50 549.00 162.00 148.00 97.00 210.00 210.50 357.00 199.00 467.00 323.00 334.00 528.67 260.00 722.00 290.00 389.00 394.00 518.33 576.00 84.00 188.00 430.00 666.00 322.00 191.00
2,8-dihydroxyquinoline
1886.09 1601.00 566.00 1335.00 835.00 715.00 751.00 3229.00 570.00 4725.00 4358.00 2522.00 1979.00 4115.00 4535.00 5755.00 645.00 5333.50 1050.50 1866.00 1821.00 1444.00 1178.00 2233.67 995.00 1030.00 9362.00 7785.00 1773.00 1435.33 4238.00 6205.00 5333.00 170.00 1429.00 3261.50 953.00
2-deoxyerythritol
2358.55 4692.00 5773.00 2379.00 1298.00 6281.50 5032.50 1007.00 1271.00 482.00 911.00 952.50 872.00 1712.00 756.00 1515.00 65083.00 2250.50 4557.00 9671.00 3287.00 1022.00 4521.00 1817.33 1101.00 1262.00 1328.00 1095.00 369.00 951.00 1032.00 2694.00 1913.00 17870.00 1515.00 2198.50 2218.00
2^-deoxyguanosine
2216.55 3728.00 1377.00 6207.00 4065.00 3869.50 3243.00 1863.00 1193.00 1189.00 635.00 1320.00 1578.50 61.00 495.00 85.00 626.00 583.00 262.00 10234.00 2385.00 2379.00 4036.00 4665.33 4419.00 1219.00 111.00 983.00 1361.00 1220.33 2599.00 77.00 1015.00 321.00 1086.00 186.00 108.00
2-deoxytetronic acid
1201.82 727.00 910.00 1300.00 710.00 1220.50 1136.00 513.00 409.00 379.00 599.00 534.00 654.00 1835.00 2130.00 1326.00 562.00 1740.50 1137.50 1257.00 1727.00 967.00 1159.00 1172.67 1091.00 419.00 517.00 710.00 416.00 507.67 779.00 1292.00 2043.00 461.00 1243.00 1304.00 1467.00
2-hydroxybutanoic acid
24028.18 10289.00 3401.00 19195.00 14678.00 86121.00 12715.00 41081.00 51662.00 26636.00 36596.00 54179.50 36054.00 4112.00 1170.00 3579.00 1625.00 7621.50 7118.50 3426.00 61119.00 7474.00 12745.00 20798.67 626.00 76553.00 49316.00 37773.00 32700.00 34146.33 31737.00 5532.00 3082.00 1631.00 623.00 6082.50 13862.00
2-hydroxyglutaric acid
3393.55 3174.00 1476.00 1422.00 2401.00 1013.50 1327.50 4173.00 5952.00 4044.00 4349.00 4364.50 6239.00 9638.00 1698.00 572.00 1679.00 3098.00 1886.50 1973.00 4498.00 1519.00 1458.00 9258.00 1048.00 7166.00 2567.00 5377.00 16960.00 12448.33 5387.00 883.00 2035.00 1202.00 2260.00 2088.50 4231.00
2-hydroxyhexanoic acid
27601.36 12072.00 4735.00 777.00 9520.00 34281.00 11110.50 76733.00 43453.00 71337.00 83548.00 73102.50 79082.00 18667.00 6119.00 4255.00 2095.00 15446.00 14343.50 7891.00 39497.00 4138.00 23496.00 10305.00 956.00 119224.00 59702.00 308037.00 97739.00 97474.00 120836.00 27188.00 6988.00 3465.00 1893.00 12962.00 20958.00
2-hydroxyvaleric acid
3244.45 1119.00 1028.00 761.00 426.00 5858.50 846.00 249.00 6810.00 12480.00 15644.00 290.00 197.00 706.00 764.00 10007.00 1909.00 633.50 2703.00 1756.00 360.00 574.00 839.00 633.67 7708.00 9310.00 15221.00 863.00 4101.00 5133.33 11367.00 929.00 2732.00 20330.00 343.00 799.50 10590.00
2-ketoisocaproic acid
4519.82 4559.00 2413.00 2377.00 3034.00 2814.00 2105.00 1682.00 2185.00 2290.00 2838.00 1711.50 1697.00 1418.00 1685.00 3197.00 5986.00 1584.50 2809.50 2701.00 1731.00 2312.00 2041.00 2573.33 2594.00 2364.00 2941.00 3239.00 1395.00 2503.00 8472.00 2257.00 2032.00 1424.00 2226.00 1254.50 1821.00
2-methylglyceric acid NIST
2324.18 1245.00 8405.00 1569.00 6996.00 8364.50 7320.00 1117.00 790.00 625.00 874.00 1106.50 1262.50 1341.00 457.00 353.00 885.00 961.50 759.00 884.00 2233.00 1137.00 5899.00 13920.33 611.00 1376.00 692.00 1088.00 1426.00 1268.33 1079.00 527.00 524.00 755.00 2291.00 870.00 922.00
2-monoolein
19877.18 9323.00 6942.00 7731.00 14695.00 8554.50 11169.00 8196.00 6117.00 5757.00 6285.00 7618.00 9155.00 2147.00 884.00 5945.00 5718.00 4409.00 977.50 14145.00 7497.00 12491.00 6860.00 17392.67 5960.00 3535.00 5049.00 11641.00 9218.00 5283.00 5620.00 2111.00 558.00 293.00 1390.00 2513.50 6314.00
2-monopalmitin
10355.09 2825.00 2997.00 9074.00 8499.00 3727.50 8606.00 6669.00 6014.00 6729.00 6327.00 7126.50 4440.50 5305.00 708.00 10909.00 1281.00 2143.00 1708.50 4154.00 11117.00 8350.00 7320.00 10143.33 3007.00 5643.00 8246.00 6609.00 6351.00 5597.33 4817.00 2311.00 4215.00 1269.00 10933.00 3546.50 3969.00
3-(3-hydroxyphenyl)propionic acid
39821.45 212470.00 206953.00 69214.00 18783.00 88426.50 68832.00 1348.00 634.00 951.00 1280.00 788.50 150.50 809.00 84899.00 93327.00 44403.00 38691.50 122557.00 240661.00 22793.00 35677.00 55442.00 57780.67 86750.00 1247.00 1431.00 345.00 769.00 586.33 188.00 91296.00 134885.00 21856.00 140.00 33685.50 775.00
3,4-dihydroxybenzoic acid
6312.64 12984.00 2506.00 8537.00 1918.00 3652.50 4740.50 3328.00 1872.00 2725.00 2192.00 1892.50 2255.50 18782.00 7881.00 12420.00 17774.00 5330.00 20481.00 7279.00 4610.00 2054.00 3788.00 3239.33 13140.00 4578.00 1694.00 1978.00 2591.00 2502.00 2387.00 26569.00 6790.00 4762.00 518.00 9423.50 8674.00
3,4-dihydroxycinnamic acid
4744.55 4244.00 1540.00 1269.00 10007.00 7143.00 5544.00 2547.00 1907.00 1734.00 1178.00 4048.00 10530.00 6545.00 1387.00 1548.00 281.00 1467.50 1246.00 1990.00 25507.00 5824.00 6634.00 10766.00 2795.00 5276.00 2325.00 3584.00 18549.00 3027.33 1842.00 2308.00 1108.00 161.00 760.00 2271.00 414.00
3,4-dihydroxyhydrocinnamic acid NIST
34848.91 11158.00 23174.00 22573.00 16708.00 27334.00 47064.50 7727.00 3079.00 3963.00 6373.00 9372.50 8897.50 40617.00 22765.00 1849.00 32658.00 26881.00 33516.00 23414.00 10557.00 14987.00 36089.00 21314.67 9793.00 15231.00 7738.00 7659.00 16818.00 5779.67 11600.00 6886.00 29028.00 61532.00 1485.00 19031.00 26438.00
3,4-dihydroxyphenylacetic acid
818.82 955.00 1201.00 674.00 396.00 410.00 600.50 1130.00 415.00 748.00 993.00 709.00 498.50 1436.00 98.00 271.00 184.00 137.50 300.50 1577.00 238.00 610.00 431.00 464.33 1045.00 636.00 1522.00 552.00 520.00 362.00 862.00 643.00 97.00 336.00 199.00 191.00 63.00
3-(4-hydroxyphenyl)propionic acid
24380.45 80403.00 90967.00 41726.00 28474.00 66463.00 59767.00 5285.00 651.00 4987.00 3523.00 9995.00 3111.50 35098.00 47535.00 15847.00 4747.00 33430.00 45632.50 108063.00 19263.00 63857.00 85256.00 55048.33 48345.00 16156.00 3636.00 8038.00 8469.00 4613.00 4855.00 79425.00 32683.00 14394.00 13332.00 30545.00 13327.00
3,6-anhydro-D-galactose
3727.09 1562.00 2696.00 2642.00 7545.00 3053.50 4795.50 11285.00 2065.00 3998.00 2544.00 3889.00 4779.00 2456.00 3734.00 2970.00 1253.00 2948.00 1763.00 780.00 3383.00 6785.00 7046.00 10244.00 2513.00 4535.00 5730.00 3667.00 4021.00 4309.00 1712.00 2048.00 2550.00 973.00 1987.00 9355.50 3374.00
3-aminoisobutyric acid
1919.64 2882.00 1311.00 4072.00 2223.00 4070.00 2159.50 139.00 5018.00 8168.00 10934.00 2073.00 1402.50 284.00 5651.00 6735.00 4218.00 5565.00 3530.50 1459.00 3092.00 560.00 832.00 811.00 5116.00 6406.00 9728.00 6462.00 2683.00 6629.00 3648.00 916.00 1792.00 4641.00 387.00 3410.50 8234.00
3-hydroxy-3-methylglutaric acid
350.91 484.00 374.00 176.00 66.00 303.50 132.50 46.00 43.00 39.00 86.00 42.50 32.50 1166.00 232.00 490.00 823.00 1408.00 595.00 165.00 368.00 206.00 102.00 204.00 134.00 33.00 69.00 65.00 62.00 39.33 74.00 493.00 1197.00 273.00 8358.00 162.00 1313.00
3-hydroxybutyric acid
23819.18 9836.00 23336.00 5492.00 2783.00 13323.00 14512.00 10229.00 4403.00 12157.00 11004.00 14052.50 7798.00 10244.00 25381.00 5841.00 5447.00 4576.50 7711.50 60165.00 1705.00 2670.00 21792.00 9209.33 742.00 12602.00 9907.00 20608.00 6102.00 12915.33 14523.00 8075.00 8921.00 1440.00 4890.00 17222.50 6659.00
3-hydroxypalmitic acid
2078.27 3476.00 5907.00 3340.00 598.00 1970.00 2491.50 838.00 687.00 379.00 463.00 598.50 620.50 669.00 962.00 1370.00 688.00 547.00 2355.00 3226.00 373.00 1236.00 1416.00 1399.67 3227.00 809.00 782.00 751.00 702.00 862.67 371.00 4752.00 3198.00 1237.00 1037.00 692.50 953.00
3-hydroxyphenylacetic acid
1304.27 7758.00 8443.00 606.00 582.00 6800.00 3349.50 39.00 47.00 36.00 94.00 65.00 80.00 77.00 3578.00 1704.00 789.00 268.00 1629.00 8403.00 1018.00 4265.00 1454.00 1810.33 11401.00 64.00 143.00 26.00 32.00 65.00 239.00 124.00 275.00 758.00 150.00 457.50 359.00
3-hydroxypropionic acid
6475.91 5050.00 1943.00 1831.00 5898.00 10375.00 3646.50 5702.00 5616.00 4574.00 7183.00 5485.50 4003.00 11159.00 2408.00 3297.00 1234.00 2323.50 5864.50 2071.00 8746.00 3848.00 8032.00 9001.33 1830.00 7476.00 9594.00 13013.00 1159.00 5864.33 3368.00 2513.00 4404.00 569.00 638.00 2444.50 2224.00
3-phenyllactic acid
10810.00 9890.00 3844.00 781.00 4114.00 18354.50 6116.50 9014.00 10654.00 7606.00 7312.00 8146.50 10886.00 19249.00 4351.00 5198.00 1217.00 8214.50 13723.50 7848.00 32942.00 2885.00 6845.00 4722.67 438.00 20194.00 10098.00 16937.00 21692.00 11081.00 7675.00 16813.00 9052.00 1535.00 331.00 7148.50 9165.00
4-aminobutyric acid
32731.64 8623.00 1906.00 1947.00 12898.00 2271.50 1741.50 168425.00 72970.00 190000.00 158012.00 107043.50 85609.00 80971.00 4134.00 59152.00 3966.00 23427.50 52035.50 11156.00 2035.00 1645.00 1189.00 7276.33 1923.00 207976.00 158591.00 313951.00 86549.00 208751.67 56870.00 60314.00 60568.00 7965.00 437.00 35147.50 6466.00
4-hydroxybenzoate
12324.36 27743.00 5015.00 15135.00 5604.00 5473.50 7670.00 1411.00 665.00 868.00 1182.00 1098.50 902.50 20316.00 14302.00 17254.00 8232.00 15335.00 22830.50 12022.00 11024.00 12478.00 13830.00 8020.33 17030.00 1940.00 1148.00 1629.00 949.00 1082.00 1254.00 29967.00 49060.00 7764.00 420.00 16888.50 13048.00
4-hydroxybutyric acid
2136.09 2488.00 2995.00 1912.00 1230.00 3129.00 2243.00 1753.00 816.00 1009.00 1666.00 2120.00 2974.50 1238.00 4304.00 1125.00 1382.00 1075.50 1339.50 4301.00 1346.00 2341.00 5054.00 6457.00 6421.00 3260.00 2262.00 6023.00 1015.00 1909.00 2000.00 1523.00 1347.00 923.00 315.00 4742.50 884.00
4-hydroxyhippuric acid NIST
297.82 259.00 211.00 426.00 141.00 148.00 285.00 137.00 159.00 95.00 158.00 141.00 129.00 90.00 73.00 145.00 325.00 279.00 128.00 350.00 123.00 106.00 162.00 258.33 179.00 154.00 181.00 78.00 66.00 130.67 143.00 134.00 468.00 208.00 318.00 156.00 216.00
4-hydroxyphenylacetic acid
47496.09 10957.00 34200.00 33673.00 22576.00 17876.50 28229.00 777.00 574.00 591.00 3987.00 3772.00 1694.00 80327.00 17506.00 62809.00 10270.00 48775.00 77340.00 23131.00 12980.00 24065.00 28474.00 21393.33 73736.00 5072.00 7157.00 139343.00 550.00 817.33 10913.00 128116.00 75856.00 7198.00 837.00 40888.00 47322.00
4-methyl-5-thiazoleethanol
5721.27 7004.00 6158.00 11131.00 4054.00 6385.00 4860.00 8187.00 2023.00 7641.00 9192.00 4345.50 5832.50 6779.00 8505.00 5291.00 6061.00 5981.50 5666.00 4847.00 7681.00 5436.00 4584.00 4048.33 9201.00 6917.00 7777.00 3059.00 5097.00 5348.00 7325.00 5251.00 4148.00 1230.00 8147.00 3001.50 4838.00
5,6-dihydrouracil major
430.64 635.00 2138.00 95.00 173.00 304.50 1088.00 495.00 197.00 198.00 445.00 190.00 290.50 479.00 281.00 111.00 45.00 572.50 875.50 864.00 618.00 124.00 591.00 512.67 355.00 290.00 513.00 166.00 155.00 230.67 137.00 825.00 115.00 60.00 143.00 252.00 857.00
5-aminovaleric acid
340689.27 389669.00 272361.00 190366.00 222018.00 279123.00 201064.50 33329.00 249567.00 2248.00 94953.00 130125.50 235410.50 163761.00 57267.00 123413.00 156387.00 94412.50 258229.50 197622.00 189319.00 393610.00 165089.00 210682.33 255141.00 550342.00 112193.00 1351766.00 1943.00 192588.67 478864.00 163398.00 133353.00 327968.00 292.00 166732.00 90725.00
6-deoxyglucose
42090.45 31307.00 40238.00 71870.00 20666.00 31616.50 101080.50 17625.00 11092.00 11495.00 15455.00 13818.00 11828.00 47381.00 380096.00 207736.00 287879.00 306628.00 163034.50 131648.00 1077.00 33998.00 22942.00 29321.33 60282.00 13996.00 20604.00 22030.00 12800.00 10987.00 16819.00 114139.00 255803.00 55357.00 46799.00 250192.50 334138.00
6-hydroxynicotinic acid
1259.73 3323.00 2776.00 482.00 257.00 1354.50 522.00 306.00 139.00 220.00 197.00 309.00 184.00 1025.00 2686.00 876.00 3708.00 839.00 2302.00 2132.00 403.00 413.00 797.00 582.00 1260.00 268.00 462.00 219.00 228.00 241.33 191.00 2003.00 1503.00 1152.00 25211.00 818.50 825.00
acetophenone NIST
2420.27 3008.00 4161.00 2629.00 1480.00 2117.00 3946.00 1521.00 1839.00 1340.00 1394.00 2298.50 1550.50 1152.00 2881.00 4949.00 2102.00 1337.50 18880.00 3071.00 2849.00 2326.00 1836.00 4424.33 2230.00 2716.00 1814.00 3229.00 1765.00 1656.33 1077.00 1791.00 1813.00 9584.00 3802.00 4471.50 2334.00
adenine
11750.00 18806.00 34243.00 63197.00 19330.00 35861.50 24327.50 6822.00 3950.00 3876.00 4115.00 4068.00 3098.00 1171.00 28496.00 5930.00 14329.00 6222.00 7295.00 33926.00 10567.00 36910.00 32949.00 26555.00 41714.00 8372.00 3575.00 18577.00 5993.00 5954.00 1243.00 7095.00 5780.00 7967.00 1650.00 12919.50 1993.00
adenosine
1227.18 513.00 1060.00 637.00 597.00 589.00 741.00 555.00 6925.00 145.00 139.00 1340.00 1340.50 45.00 147.00 193.00 65.00 27.00 77.00 1355.00 518.00 3008.00 1331.00 1524.00 745.00 3429.00 111.00 563.00 194.00 966.33 62.00 48.00 264.00 148.00 127.00 92.00 21.00
adipic acid
1072.00 930.00 1940.00 1401.00 1128.00 1132.00 1185.50 285.00 510.00 271.00 364.00 361.00 393.50 798.00 973.00 1062.00 468.00 665.00 1112.50 1791.00 1063.00 917.00 742.00 1129.00 933.00 309.00 528.00 592.00 197.00 321.67 329.00 680.00 290.00 1101.00 986.00 646.00 704.00
alanine
703784.64 568643.00 537437.00 548323.00 472318.00 547951.50 510610.50 690254.00 463867.00 969438.00 986282.00 663713.50 707383.00 866247.00 1183797.00 1274314.00 1223421.00 1122690.50 1456040.00 408075.00 388596.00 412016.00 336334.00 420609.67 670518.00 967450.00 764981.00 796365.00 454665.00 813044.00 999697.00 1170283.00 728121.00 1374187.00 505839.00 719288.50 1319446.00
alanine-alanine
19928.55 16577.00 20713.00 33414.00 13539.00 13623.50 11243.50 51834.00 17921.00 43526.00 44302.00 31738.00 37937.50 6615.00 6722.00 7441.00 4177.00 12269.50 9926.50 16589.00 14980.00 14132.00 9680.00 15345.33 15846.00 48943.00 55905.00 27430.00 18066.00 37705.67 17150.00 11185.00 9464.00 2603.00 8441.00 17633.00 17705.00
allantoic acid
8840.36 263.00 366.00 99.00 246.00 2242.00 757.00 1388.00 3401.00 6113.00 7636.00 8182.00 5560.50 437.00 781.00 323.00 3965.00 3369.00 412.00 396.00 3100.00 278.00 171.00 762.33 2024.00 10994.00 336.00 1131.00 5727.00 5154.33 1386.00 538.00 375.00 1725.00 201.00 634.00 887.00
alpha-ketoglutarate
1136.00 894.00 294.00 345.00 406.00 288.50 224.50 37.00 107.00 62.00 93.00 104.00 85.50 50.00 83.00 252.00 1408.00 158.00 245.00 269.00 293.00 349.00 197.00 336.33 496.00 49.00 69.00 56.00 82.00 72.33 2550.00 102.00 730.00 788.00 697.00 202.50 137.00
aminomalonate
5824.27 1416.00 1431.00 1220.00 5425.00 1959.50 3526.50 4379.00 3037.00 2502.00 1681.00 2444.00 3233.00 1342.00 4409.00 345.00 5297.00 4709.50 1221.50 2579.00 2789.00 1789.00 1565.00 2624.67 1769.00 8230.00 2037.00 6226.00 1603.00 5512.67 6237.00 2449.00 4121.00 11865.00 1024.00 9592.50 6383.00
arachidic acid
12076.73 20778.00 16680.00 12078.00 9413.00 14905.00 13786.50 13905.00 6703.00 13440.00 9753.00 12095.00 15318.00 11973.00 6106.00 15257.00 7974.00 9004.50 14196.50 22828.00 18219.00 8209.00 15484.00 13457.67 7849.00 12998.00 18645.00 14224.00 13822.00 13156.33 6735.00 16329.00 16359.00 6908.00 2504.00 12959.00 7479.00
arachidonic acid
14084.73 20676.00 9278.00 8702.00 8387.00 6879.50 4129.50 14249.00 10485.00 11974.00 8206.00 9897.00 7733.50 4162.00 2498.00 3791.00 5374.00 1354.00 2854.00 7964.00 5022.00 6801.00 8815.00 7117.67 6760.00 11297.00 13287.00 15043.00 7694.00 11761.67 6689.00 3800.00 2960.00 1237.00 191.00 5089.50 960.00
asparagine
1970.82 1344.00 1092.00 4227.00 1948.00 1162.00 1299.00 1646.00 843.00 2198.00 2800.00 1681.50 2495.50 3000.00 2070.00 1526.00 2095.00 26813.50 641.50 1953.00 1659.00 1727.00 1398.00 1712.67 2137.00 656.00 679.00 2210.00 1291.00 1805.00 9010.00 2793.00 1874.00 1035.00 5752.00 1566.00 1861.00
asparagine dehydrated
1218.82 608.00 553.00 1867.00 1161.00 617.00 568.00 1514.00 653.00 1961.00 2680.00 1463.50 2301.50 356.00 218.00 494.00 825.00 26139.50 423.00 367.00 1066.00 850.00 856.00 1128.67 557.00 306.00 536.00 1935.00 877.00 1438.33 7227.00 2387.00 1236.00 407.00 1161.00 419.50 1371.00
behenic acid
6843.09 15001.00 13351.00 7173.00 4560.00 9038.00 7457.00 5085.00 11423.00 4209.00 6654.00 7746.50 8288.00 8370.00 3659.00 9286.00 5095.00 3846.00 9218.00 18943.00 9751.00 4966.00 7034.00 8130.33 6019.00 7501.00 14968.00 9177.00 6843.00 8321.00 4837.00 11105.00 9329.00 3961.00 7245.00 7251.00 5506.00
benzoic acid
6135.45 5367.00 6609.00 4845.00 5325.00 5262.00 4177.00 2118.00 3672.00 3127.00 2998.00 3166.00 4068.50 2276.00 2351.00 6683.00 4988.00 2895.50 4589.00 8128.00 2847.00 4299.00 3724.00 5469.67 3541.00 3768.00 2678.00 6045.00 2711.00 2205.33 3013.00 3475.00 16773.00 1931.00 5664.00 2830.50 3394.00
beta-alanine
6165.64 13846.00 17921.00 1308.00 1110.00 2883.00 631.00 555.00 417.00 983.00 1942.00 1004.50 589.50 2288.00 12428.00 1608.00 4882.00 2290.00 14739.00 4989.00 671.00 2042.00 983.00 1487.33 738.00 565.00 1221.00 10044.00 1315.00 962.67 2368.00 4918.00 12310.00 10638.00 11756.00 4023.00 1941.00
beta-gentiobiose
12949.45 7182.00 5915.00 5240.00 6829.00 12733.50 16392.00 10044.00 24964.00 47634.00 53532.00 33521.50 30033.50 3764.00 5681.00 3104.00 3367.00 10491.50 713.00 10884.00 24250.00 29612.00 53953.00 11032.67 2581.00 38650.00 69791.00 56598.00 27792.00 19856.00 45704.00 3764.00 5908.00 981.00 3655.00 16074.50 12039.00
beta-glutamic acid
3770.73 295.00 8.00 1480.00 28.00 105.50 123.50 215.00 62.00 105.00 93.00 727.00 91.00 92.00 74.00 171.00 125.00 167.00 311.00 90.00 1817.00 69.00 56.00 682.67 64.00 183.00 67.00 400.00 54.00 281.67 3399.00 206.00 314.00 7668.00 2768.00 119.00 286.00
beta-mannosylglycerate
4158.18 1486.00 2421.00 1257.00 1751.00 1233.00 1342.00 19762.00 5281.00 7654.00 2913.00 18719.00 22455.00 856.00 2447.00 962.00 8681.00 763.50 838.50 1326.00 1227.00 1094.00 2762.00 5140.00 1010.00 13524.00 2108.00 15968.00 14354.00 24203.00 7509.00 1096.00 736.00 10684.00 12783.00 1544.00 2355.00
beta-sitosterol
144332.64 351210.00 8766.00 273153.00 196940.00 204814.00 268705.50 1294.00 196920.00 4860.00 204466.00 178231.50 194078.50 193495.00 2821.00 331747.00 218924.00 123227.50 80746.00 3891.00 301289.00 6434.00 204062.00 160578.33 228323.00 159135.00 283071.00 101662.00 3572.00 93862.67 965.00 299249.00 323692.00 5440.00 817401.00 146741.50 110985.00
biphenyl
489.73 248.00 483.00 296.00 191.00 258.50 190.00 434.00 214.00 264.00 178.00 293.50 383.50 119.00 89.00 267.00 335.00 205.50 1706.00 332.00 232.00 237.00 329.00 312.00 265.00 273.00 191.00 144.00 359.00 208.00 161.00 937.00 103.00 1318.00 104.00 2893.50 128.00
butane-2,3-diol NIST
12770.27 2436.00 2747.00 3783.00 16881.00 433039.50 9531.00 4568.00 6801.00 1836.00 10819.00 4556.00 3547.00 204170.00 1218.00 3991.00 1048.00 1727.50 15753.50 10508.00 3675.00 5576.00 7679.00 4673.33 2647.00 4330.00 2646.00 3904.00 1877.00 2976.00 2524.00 1446.00 1033.00 36096.00 2669.00 2501.00 2823.00
butyrolactam NIST
5816.45 1950.00 1319.00 845.00 3202.00 1397.00 864.00 20920.00 12550.00 23610.00 18228.00 13550.50 20232.00 9868.00 1295.00 9394.00 7171.00 3438.00 6698.50 3501.00 1312.00 1063.00 1254.00 2844.33 608.00 32458.00 16259.00 56818.00 10675.00 29404.00 6931.00 6705.00 7891.00 1845.00 1159.00 6263.00 1114.00
capric acid
597.09 678.00 195.00 612.00 621.00 551.00 364.50 338.00 337.00 401.00 479.00 396.00 534.00 299.00 242.00 932.00 304.00 183.50 341.00 1121.00 335.00 343.00 420.00 353.00 445.00 618.00 507.00 806.00 353.00 443.67 413.00 304.00 483.00 180.00 1060.00 217.00 330.00
caprylic acid
1150.64 1076.00 1583.00 843.00 1229.00 1089.00 772.00 592.00 1277.00 983.00 1513.00 1178.00 1290.50 552.00 495.00 1218.00 383.00 599.50 479.50 2224.00 713.00 863.00 1389.00 1137.33 554.00 1017.00 715.00 1345.00 777.00 952.67 828.00 1225.00 839.00 219.00 1121.00 474.50 339.00
cellobiose
9888.18 29704.00 14235.00 80383.00 50855.00 73562.50 61583.00 6974.00 18464.00 114159.00 23397.00 165404.50 28176.50 2624.00 2402.00 1753.00 1275.00 16973.50 4013.00 5399.00 90703.00 71090.00 110944.00 104604.67 27545.00 6358.00 14269.00 12413.00 6718.00 9618.67 7950.00 8747.00 1384.00 753.00 13927.00 4283.50 24528.00
cerotinic acid
298.45 1004.00 747.00 637.00 295.00 345.50 612.50 555.00 1063.00 557.00 299.00 545.00 627.50 504.00 209.00 939.00 174.00 237.50 582.50 1554.00 1169.00 205.00 656.00 715.00 512.00 523.00 765.00 437.00 635.00 239.00 266.00 686.00 762.00 149.00 931.00 412.50 341.00
chenodeoxycholic acid
2823.18 4924.00 7180.00 1583.00 2361.00 2093.50 2566.00 1689.00 866.00 2812.00 1794.00 1445.50 1421.50 408.00 1189.00 4990.00 4460.00 1324.50 4938.50 7447.00 3622.00 2234.00 1765.00 3073.67 2552.00 1034.00 3098.00 3231.00 1460.00 1429.33 1923.00 4912.00 187.00 3708.00 374.00 1781.00 1600.00
cholesterol
216968.27 218931.00 305706.00 149033.00 95836.00 133585.50 150938.50 143202.00 112788.00 201760.00 116004.00 153728.50 130762.00 103093.00 134067.00 171968.00 134984.00 76270.50 184714.50 250063.00 184680.00 104594.00 134245.00 166713.33 137656.00 120683.00 250242.00 222519.00 109294.00 123522.67 103386.00 218072.00 254348.00 90276.00 436249.00 177900.00 62100.00
cholic acid
82073.45 120319.00 1898.00 200811.00 80101.00 69024.50 151285.50 171.00 10930.00 65365.00 76704.00 4561.50 19876.00 9426.00 9595.00 77925.00 11758.00 14751.50 3773.00 220771.00 60516.00 423.00 58449.00 62444.00 144220.00 29424.00 89000.00 504.00 25673.00 20938.00 286.00 16893.00 4302.00 3191.00 95296.00 23332.00 3910.00
cis-gondoic acid
1478.55 1684.00 1204.00 571.00 524.00 569.00 1122.50 1976.00 1506.00 1048.00 816.00 1291.00 1324.50 953.00 259.00 1084.00 654.00 684.00 1148.00 1179.00 776.00 431.00 1164.00 991.00 498.00 1523.00 2243.00 1345.00 1176.00 1692.67 250.00 1559.00 1072.00 458.00 251.00 759.50 737.00
cis-sinapinic acid
892.91 1216.00 176.00 151.00 1520.00 856.00 512.00 119.00 257.00 183.00 443.00 137.00 337.50 263.00 294.00 356.00 71.00 98.50 132.50 324.00 2683.00 1788.00 1326.00 1200.67 415.00 44.00 412.00 327.00 379.00 180.33 144.00 274.00 137.00 880.00 183.00 182.50 26.00
citric acid
7261.27 176.00 171.00 229.00 129.00 139.00 41.00 82.00 115.00 156.00 106.00 155.00 112.00 344.00 85.00 201.00 101.00 356.00 146.50 335.00 90.00 101.00 135.00 167.00 81.00 220.00 301.00 163.00 153.00 258.00 263.00 134.00 524.00 498.00 25910.00 130.00 297.00
citrulline
11916.82 5917.00 7495.00 4870.00 7313.00 4874.00 5142.50 7615.00 3996.00 3938.00 5003.00 4724.00 4577.50 1617.00 7996.00 1578.00 19547.00 10122.50 6323.50 5058.00 5355.00 5520.00 3496.00 4646.33 8074.00 6074.00 4072.00 10376.00 3370.00 5107.33 4702.00 2243.00 9226.00 42681.00 1914.00 5547.50 9996.00
conduritol-beta-epoxide
1556.18 1074.00 366.00 548.00 2399.00 756.00 844.00 5071.00 1077.00 3492.00 3822.00 2093.50 2631.50 243.00 146.00 230.00 287.00 258.00 92.00 514.00 1199.00 868.00 1449.00 1488.33 409.00 2938.00 4009.00 10007.00 1540.00 1765.00 3239.00 147.00 107.00 94.00 292.00 288.50 215.00
creatinine
24705.00 734.00 1340.00 6329.00 33575.00 11155.00 11336.50 21928.00 15025.00 9785.00 17769.00 13392.00 17573.50 2053.00 518.00 2521.00 4742.00 2578.00 706.00 40945.00 1917.00 7367.00 13367.00 21250.00 2116.00 79293.00 3864.00 22149.00 10762.00 13219.33 26608.00 487.00 649.00 1261.00 231.00 751.50 1456.00
cysteine
4903.64 3827.00 3024.00 4982.00 4076.00 2938.00 3029.50 18645.00 6340.00 9340.00 11905.00 7357.50 13220.00 887.00 268.00 186.00 369.00 654.50 697.00 1225.00 5806.00 2763.00 5727.00 5422.33 1344.00 10563.00 6071.00 7033.00 8680.00 8454.00 15382.00 655.00 328.00 1230.00 1261.00 467.50 624.00
cystine
873.91 194.00 467.00 296.00 2102.00 438.50 1016.50 959.00 1793.00 874.00 1084.00 912.00 2411.00 591.00 921.00 1452.00 251.00 707.00 418.50 413.00 625.00 1245.00 1271.00 1431.00 163.00 2013.00 227.00 1375.00 2516.00 1139.00 2349.00 867.00 693.00 214.00 592.00 2262.50 594.00
cytosin
1098.18 3197.00 6131.00 3892.00 2889.00 5863.00 3213.50 232.00 253.00 189.00 246.00 201.50 194.50 258.00 5137.00 3026.00 1585.00 337.50 450.00 5968.00 2004.00 314.00 1618.00 1380.33 1144.00 236.00 372.00 265.00 228.00 268.33 148.00 474.00 1250.00 502.00 613.00 1255.00 305.00
daidzein
545.18 745.00 678.00 252.00 308.00 334.50 266.50 908.00 304.00 430.00 553.00 622.00 470.00 506.00 209.00 512.00 334.00 130.50 349.00 612.00 423.00 304.00 297.00 345.00 306.00 685.00 1190.00 645.00 528.00 351.67 324.00 528.00 171.00 333.00 912.00 275.50 182.00
deoxycholic acid
45323.18 376.00 120.00 7094.00 77.00 14932.50 6844.50 45.00 2504.00 5010.00 170.00 97.00 278.00 18491.00 150.00 2996.00 111319.00 10499.50 46919.00 6372.00 344.00 1045.00 2641.00 14639.33 26847.00 2934.00 3531.00 287.00 3063.00 74.00 416.00 51754.00 24701.00 693.00 687.00 156878.50 8762.00
D-erythro-sphingosine
16971.55 22579.00 39450.00 4308.00 5589.00 7438.00 6398.50 12546.00 5199.00 11489.00 10927.00 16294.00 5613.00 6781.00 5850.00 869.00 3465.00 3538.00 1901.00 10387.00 14346.00 8567.00 7220.00 5175.33 8472.00 13112.00 620.00 1546.00 7933.00 8888.67 980.00 21981.00 33990.00 2136.00 29730.00 28097.50 438.00
diglycerol
3208.73 2911.00 4479.00 3704.00 4272.00 2836.00 3718.50 3721.00 3914.00 3196.00 3975.00 4019.50 4067.00 10450.00 3481.00 1459.00 2459.00 7201.00 2357.50 1892.00 6063.00 3357.00 5287.00 6101.33 1974.00 1917.00 3016.00 4684.00 3285.00 3488.67 5577.00 1790.00 7223.00 2259.00 13952.00 3487.50 4283.00
dihydrocholesterol
3066.82 2760.00 8616.00 2249.00 1510.00 1729.00 1384.00 4425.00 1523.00 2720.00 3355.00 1702.00 1401.00 1352.00 1491.00 2284.00 2425.00 1354.50 2682.50 3810.00 2674.00 1708.00 1600.00 995.67 1328.00 1607.00 3052.00 6377.00 1360.00 2683.33 1189.00 2376.00 2739.00 2225.00 2066.00 1395.50 526.00
docosahexaenoic acid
2010.55 480.00 2378.00 1645.00 254.00 1662.00 1442.00 370.00 1499.00 1896.00 192.00 1066.50 944.00 1034.00 434.00 1225.00 887.00 330.50 536.50 2140.00 1003.00 233.00 1723.00 767.00 1307.00 1540.00 2255.00 385.00 1201.00 596.00 91.00 502.00 195.00 481.00 4672.00 718.00 72.00
erythritol
19157.45 7337.00 15300.00 25934.00 16266.00 18462.50 20561.50 13327.00 8303.00 9619.00 14327.00 11110.50 8679.00 5302.00 2561.00 3093.00 925.00 7448.50 4298.50 8712.00 14236.00 17636.00 21387.00 16217.00 9086.00 14567.00 31244.00 19710.00 4069.00 9828.00 11476.00 7689.00 6677.00 11695.00 22336.00 3946.50 7713.00
erythrose
315.64 214.00 187.00 58.00 344.00 381.50 275.50 739.00 748.00 563.00 653.00 557.00 538.00 55.00 92.00 71.00 36.00 89.50 66.50 387.00 184.00 250.00 478.00 586.67 51.00 606.00 578.00 791.00 548.00 419.33 272.00 84.00 130.00 44.00 125.00 135.50 111.00
ethanolamine
31753.55 31708.00 42263.00 58147.00 28923.00 42671.00 29343.00 10250.00 10030.00 10409.00 9196.00 14227.50 14126.00 31686.00 34280.00 48399.00 15758.00 42939.50 54175.50 38114.00 23509.00 31612.00 26951.00 28775.00 15634.00 20125.00 11952.00 11738.00 20034.00 28311.33 26883.00 81283.00 46360.00 49157.00 73892.00 55087.00 40303.00
ferulic acid
4584.36 7646.00 2151.00 6207.00 7190.00 5471.00 4766.00 2739.00 2687.00 906.00 1599.00 1307.50 2768.00 34149.00 20066.00 14477.00 15733.00 12113.50 5055.50 4786.00 12140.00 7788.00 6541.00 10035.33 13905.00 349.00 3931.00 1332.00 581.00 2230.00 767.00 11783.00 9645.00 1563.00 1583.00 13481.00 8193.00
fructose
13090.64 7211.00 10695.00 8250.00 82568.00 12365.00 17197.00 11520.00 1482.00 8231.00 5745.00 13713.00 6803.00 50611.00 28724.00 40231.00 16207.00 30240.50 24552.50 18533.00 12935.00 46083.00 43475.00 33276.00 18148.00 5201.00 18954.00 16817.00 7795.00 8136.00 33279.00 31518.00 18286.00 3881.00 1527.00 27606.00 33712.00
fucose
144739.55 174541.00 38078.00 177695.00 423759.00 158945.00 276552.00 645797.00 277697.00 517493.00 675246.00 401602.50 98278.50 390239.00 13754.00 102646.00 265244.00 189500.50 25470.50 154060.00 279835.00 490312.00 278540.00 232100.33 330499.00 670008.00 797361.00 244978.00 372133.00 301346.33 156604.00 14051.00 267024.00 13437.00 31458.00 13123.00 352169.00
fumaric acid
2428.27 1860.00 2573.00 1687.00 3529.00 2736.00 1303.50 1525.00 1692.00 5537.00 2078.00 1432.00 1769.50 598.00 660.00 1021.00 2021.00 725.00 516.00 1872.00 2226.00 2554.00 2288.00 4615.00 1551.00 985.00 1471.00 1878.00 983.00 3858.00 6191.00 536.00 1383.00 1315.00 8526.00 579.00 491.00
galactinol
36883.00 6178.00 6024.00 2904.00 6237.00 6457.50 4617.00 88716.00 88127.00 147315.00 171819.00 135333.50 360196.00 1419.00 1120.00 847.00 627.00 1532.50 418.00 3319.00 5537.00 5397.00 16399.00 5444.67 2132.00 169224.00 175088.00 102285.00 131592.00 88018.00 152139.00 3045.00 790.00 4321.00 181193.00 945.00 2423.00
galactonic acid
996.18 637.00 1644.00 699.00 528.00 687.50 992.50 926.00 2440.00 660.00 2359.00 6975.50 5510.50 1466.00 1440.00 375.00 550.00 2317.50 1611.50 1089.00 764.00 437.00 494.00 572.00 854.00 2887.00 18552.00 951.00 1073.00 4484.00 1002.00 2710.00 1878.00 823.00 351.00 855.00 3667.00
galactose
335744.18 76024.00 58799.00 172331.00 115704.00 109276.00 202985.50 557005.00 77977.00 466552.00 240852.00 454763.00 131527.50 185528.00 153676.00 84282.00 70508.00 79935.50 60963.50 140819.00 136597.00 232322.00 79121.00 108318.00 310444.00 153742.00 117076.00 132252.00 1334534.00 106535.00 167502.00 110909.00 156160.00 5797.00 119871.00 472985.00 39087.00
galacturonic acid
7568.91 14566.00 12937.00 13622.00 9209.00 26314.00 17887.50 10903.00 11213.00 16651.00 945.00 13871.00 6595.00 29129.00 44561.00 4656.00 90873.00 68356.50 11706.00 20587.00 45722.00 12454.00 15956.00 12047.33 41436.00 17469.00 14510.00 14913.00 26355.00 7768.67 16475.00 12130.00 55205.00 7806.00 1500.00 42463.50 87835.00
glucoheptulose
4344.00 691.00 1062.00 3330.00 956.00 3835.50 3050.50 1922.00 1725.00 2622.00 2376.00 2793.00 1889.50 806.00 928.00 505.00 1882.00 802.00 492.50 2383.00 1998.00 2055.00 7709.00 1877.00 1787.00 24073.00 1823.00 7571.00 1424.00 10515.67 3638.00 285.00 1754.00 362.00 3896.00 2855.50 1463.00
gluconic acid
906.00 295.00 96.00 70.00 161.00 92.50 105.00 5154.00 3022.00 2699.00 2738.00 8566.00 6391.50 4771.00 549.00 501.00 561.00 4760.50 1411.50 156.00 236.00 82.00 128.00 201.00 54.00 3166.00 22698.00 1621.00 1211.00 6394.33 604.00 3023.00 2148.00 330.00 391.00 944.50 4305.00
glucose
335748.18 106516.00 226150.00 501235.00 909618.00 424489.00 936338.50 611966.00 624041.00 931070.00 230978.00 1092874.50 993948.00 250039.00 359170.00 207810.00 138426.00 384053.00 67008.00 335974.00 379239.00 1055181.00 1288813.00 1031816.33 233474.00 530397.00 246586.00 519634.00 1089684.00 631587.00 440587.00 116494.00 221710.00 49105.00 23470.00 483758.00 428427.00
glucose-1-phosphate
1943.64 2114.00 534.00 1244.00 1202.00 1429.50 1079.50 1854.00 2288.00 2725.00 2883.00 2661.00 2832.50 6374.00 2648.00 1225.00 1382.00 3280.00 1009.50 1361.00 2549.00 1927.00 1540.00 2819.33 1152.00 2675.00 2159.00 2872.00 3160.00 2374.33 2149.00 1865.00 4097.00 977.00 30612.00 1136.50 1047.00
glutamic acid
127533.09 68556.00 57438.00 74502.00 103534.00 57103.00 78721.00 6033.00 1840.00 2505.00 2873.00 9980.00 2516.00 34287.00 102951.00 13100.00 287512.00 194296.00 120767.50 65656.00 89891.00 43917.00 38551.00 66984.00 104613.00 6251.00 1579.00 6586.00 2354.00 14026.00 163539.00 34815.00 198917.00 396336.00 124382.00 141046.50 280191.00
glutamine
10799.00 1720.00 4922.00 3464.00 2238.00 1522.50 1850.00 995.00 1581.00 665.00 813.00 758.50 2411.00 533.00 3170.00 412.00 10919.00 403.00 1617.50 182.00 1317.00 1822.00 2281.00 2093.00 3282.00 1195.00 937.00 1289.00 516.00 772.67 930.00 517.00 1989.00 2254.00 5720.00 1609.50 314.00
glutaric acid
383.27 720.00 617.00 312.00 136.00 396.50 347.00 38.00 64.00 62.00 44.00 66.00 43.00 275.00 455.00 423.00 334.00 283.00 1081.00 664.00 126.00 351.00 320.00 214.33 143.00 141.00 59.00 69.00 25.00 62.67 322.00 373.00 1099.00 503.00 132.00 627.50 215.00
glyceric acid
16122.18 4005.00 3849.00 16681.00 9936.00 11259.00 8351.00 7349.00 5270.00 7927.00 6722.00 8030.00 10218.00 25291.00 62461.00 13994.00 37991.00 46651.00 19135.50 9532.00 9385.00 18504.00 14705.00 13824.00 17129.00 10041.00 5539.00 3644.00 6247.00 9951.00 13628.00 17504.00 54022.00 16472.00 3884.00 57449.00 39141.00
glycerol
97284.00 50160.00 33773.00 28090.00 67780.00 74609.00 48909.50 46110.00 66203.00 48311.00 39034.00 49893.00 72663.50 212094.00 285827.00 365554.00 30891.00 149346.00 237942.50 53949.00 84263.00 99678.00 84164.00 82263.33 48152.00 64086.00 32560.00 62680.00 50728.00 52793.67 76670.00 387739.00 149458.00 82666.00 103023.00 208002.50 118489.00
glycerol-3-galactoside
20454.73 3388.00 8507.00 5662.00 83483.00 19239.50 45573.50 42390.00 90655.00 38946.00 9118.00 58187.00 100284.50 22728.00 36512.00 64046.00 865.00 28203.00 8747.00 9295.00 23058.00 61703.00 53956.00 71315.33 2827.00 33063.00 15345.00 45214.00 120147.00 57545.33 70126.00 36417.00 24596.00 7991.00 8251.00 60046.50 22132.00
glycerol-alpha-phosphate
1530.09 750.00 1543.00 2571.00 3125.00 990.50 2236.50 1614.00 1924.00 819.00 1437.00 708.00 560.50 507.00 293.00 371.00 489.00 306.50 537.00 725.00 3195.00 1141.00 2947.00 3858.00 893.00 1299.00 555.00 1136.00 2239.00 984.67 1208.00 202.00 341.00 714.00 6820.00 385.00 206.00
glycine
91499.27 39968.00 56196.00 33774.00 60163.00 37391.50 68511.00 87281.00 46006.00 62549.00 71355.00 52151.00 44132.00 49043.00 65844.00 50571.00 184094.00 119857.50 132619.00 67121.00 44746.00 33497.00 30976.00 52476.33 51181.00 104091.00 84787.00 69608.00 38648.00 61729.67 76833.00 74065.00 74963.00 244148.00 60561.00 137210.00 157064.00
glycolic acid
6658.73 3859.00 4377.00 3820.00 6027.00 3248.50 5356.50 4352.00 6231.00 3753.00 6651.00 5775.50 3437.00 5529.00 8140.00 3041.00 7547.00 5691.00 4251.00 11777.00 6172.00 5520.00 6265.00 5141.67 3902.00 8380.00 4042.00 7714.00 3107.00 3819.00 7896.00 3455.00 12431.00 1471.00 1996.00 7200.00 6907.00
glycyl-proline
5918.55 14902.00 20913.00 8252.00 8381.00 4153.50 5840.00 6751.00 545.00 5685.00 8804.00 6287.50 2052.00 7917.00 12400.00 6442.00 3138.00 9129.00 9561.00 2828.00 2155.00 6873.00 8017.00 6890.67 4266.00 2837.00 3067.00 2795.00 5907.00 4410.33 5358.00 10997.00 13387.00 5952.00 2690.00 22442.50 5870.00
guanine
5284.45 7159.00 11739.00 16386.00 12851.00 8570.00 12407.50 9709.00 6934.00 4272.00 5448.00 3293.50 7974.00 414.00 1181.00 1233.00 8215.00 2088.50 1478.00 22880.00 6747.00 6173.00 6110.00 8103.67 16543.00 16391.00 6537.00 8756.00 6442.00 6201.67 7017.00 941.00 1243.00 1395.00 928.00 703.50 600.00
guanosine
769.36 92.00 283.00 203.00 913.00 416.00 654.00 1231.00 1332.00 750.00 475.00 612.50 1257.00 33.00 46.00 104.00 233.00 26.00 72.50 312.00 357.00 941.00 1270.00 1826.00 359.00 1214.00 259.00 527.00 841.00 730.67 1978.00 37.00 38.00 69.00 134.00 78.00 23.00
heptadecanoic acid
14938.45 18932.00 17387.00 10036.00 9202.00 12382.00 11165.00 9407.00 14199.00 5931.00 7286.00 8349.50 9816.00 11360.00 7148.00 10775.00 10709.00 6529.00 13727.00 15584.00 10996.00 7490.00 12878.00 14406.67 13358.00 11841.00 10741.00 9978.00 9543.00 8628.33 3674.00 30795.00 16028.00 8064.00 18503.00 4954.00 9876.00
hexadecylglycerol NIST
2394.00 3143.00 2576.00 990.00 1647.00 1465.50 1458.00 4296.00 1841.00 3439.00 3403.00 2942.00 2546.50 1531.00 1736.00 1288.00 1969.00 1748.50 3180.50 2935.00 2097.00 1575.00 2629.00 2896.33 1259.00 3037.00 6401.00 3556.00 2705.00 3603.00 2902.00 3946.00 4599.00 2173.00 1594.00 2906.00 1826.00
hexitol
2440.64 806.00 411.00 1112.00 1927.00 4881.50 7637.50 4321.00 3280.00 7747.00 4039.00 6010.50 7413.50 2619.00 514.00 2774.00 342.00 284.50 324.00 656.00 1649.00 11431.00 17573.00 3544.33 194.00 6486.00 4708.00 4839.00 2621.00 3924.00 6580.00 1526.00 496.00 1746.00 1594.00 7686.50 4411.00
histidine
22294.27 2886.00 4530.00 5372.00 9898.00 2150.00 5232.50 10273.00 2795.00 12878.00 28510.00 24470.50 10937.00 9352.00 18156.00 965.00 23520.00 17586.00 17000.00 3157.00 3772.00 8086.00 5270.00 9634.00 7749.00 31911.00 11050.00 9254.00 4125.00 27219.00 18221.00 11655.00 23094.00 37078.00 1538.00 24286.00 17317.00
homoserine
2276.00 2443.00 1986.00 2392.00 2794.00 2757.50 2832.00 3707.00 1600.00 1605.00 1849.00 1617.50 5742.00 1839.00 2248.00 2454.00 7154.00 3718.50 3093.00 3943.00 5142.00 2549.00 2400.00 2791.00 2716.00 2236.00 1642.00 1672.00 790.00 2230.00 2413.00 2665.00 1617.00 6079.00 2046.00 2511.50 2571.00
homovanillic acid
661.55 104.00 125.00 112.00 57.00 749.00 110.50 36.00 25.00 53.00 57.00 32.50 31.50 88.00 1653.00 219.00 69.00 1196.00 110.50 95.00 67.00 116.00 88.00 594.00 119.00 64.00 118.00 61.00 22.00 43.00 26.00 101.00 57.00 1127.00 109.00 497.50 51.00
hydrocinnamic acid
12914.82 17329.00 1495.00 18531.00 18935.00 15119.00 8416.00 3260.00 14629.00 2797.00 1963.00 5158.00 5972.00 2895.00 475.00 308.00 5569.00 3163.50 6470.50 28311.00 8979.00 929.00 11059.00 8751.67 17163.00 4421.00 2901.00 5787.00 5037.00 4652.00 6031.00 6659.00 4104.00 569.00 6563.00 42699.50 310.00
hydroxylamine
66872.91 151152.00 178962.00 81679.00 68449.00 112162.50 60950.50 14661.00 70827.00 53374.00 76184.00 63511.50 53475.50 57576.00 54804.00 320025.00 67343.00 46893.50 82123.50 83493.00 83987.00 75681.00 72882.00 72786.67 45029.00 35926.00 147520.00 88775.00 93634.00 49103.33 46481.00 117983.00 61564.00 13419.00 190721.00 28316.50 30053.00
hypoxanthine
24715.64 19740.00 15588.00 54943.00 17169.00 26625.50 35165.50 21904.00 15216.00 17950.00 16939.00 15314.00 19336.50 18090.00 38201.00 33982.00 151377.00 56497.50 38324.00 60443.00 21902.00 11868.00 17908.00 20200.33 38702.00 29934.00 13236.00 16669.00 20428.00 18124.67 19004.00 27213.00 16453.00 39575.00 4079.00 23216.50 77437.00
indole-3-acetate
13793.27 15980.00 22544.00 11445.00 26685.00 8647.00 51028.50 810.00 761.00 541.00 1157.00 1313.00 1017.00 6967.00 21323.00 15209.00 9315.00 15003.00 17061.00 23042.00 4171.00 9492.00 8171.00 44220.00 12628.00 1364.00 738.00 11089.00 728.00 821.33 3738.00 27026.00 31504.00 40844.00 168850.00 18534.00 22240.00
indole-3-lactate
61838.64 115515.00 127305.00 78576.00 45177.00 58892.50 72864.50 6037.00 11123.00 6064.00 2893.00 6603.50 8469.00 19883.00 18091.00 13775.00 1288.00 7132.50 39304.50 128029.00 67836.00 56542.00 7536.00 46253.33 80334.00 13075.00 6111.00 8155.00 22490.00 7412.33 4437.00 54443.00 9256.00 1516.00 2372.00 10925.50 836.00
inosine
792.55 104.00 136.00 68.00 586.00 191.50 353.50 1757.00 772.00 803.00 496.00 729.50 1022.00 24.00 77.00 152.00 186.00 200.50 51.00 162.00 84.00 225.00 540.00 1344.33 272.00 665.00 313.00 795.00 1343.00 852.33 3561.00 66.00 22.00 99.00 132.00 84.50 247.00
inositol-4-monophosphate
186.73 401.00 846.00 477.00 109.00 301.50 223.50 56.00 96.00 62.00 39.00 76.50 62.50 124.00 317.00 208.00 1218.00 269.00 516.50 159.00 161.00 233.00 262.00 463.00 393.00 54.00 113.00 126.00 66.00 68.33 49.00 167.00 665.00 755.00 148.00 165.00 226.00
isoleucine
282952.18 197433.00 193484.00 240910.00 123176.00 187237.00 151256.50 225736.00 241132.00 216948.00 373779.00 153093.50 119051.00 209678.00 328602.00 366244.00 730590.00 457480.50 532501.50 148609.00 155691.00 133453.00 69708.00 117074.33 313603.00 285022.00 469941.00 156981.00 69587.00 214059.67 293393.00 383756.00 343275.00 885992.00 161207.00 449208.00 411894.00
isomaltose
89681.18 1213.00 1311.00 7588.00 471800.00 19352.50 188022.00 550781.00 452588.00 489931.00 30716.00 622811.50 773886.00 6277.00 10843.00 12008.00 1232.00 14848.50 1305.00 7060.00 17551.00 123540.00 181263.00 230138.67 1628.00 165809.00 50163.00 236357.00 703886.00 344532.00 188081.00 3610.00 10975.00 2366.00 4484.00 45506.00 17925.00
isopentadecanoic acid
42621.64 44325.00 47233.00 16489.00 16585.00 25455.00 11709.50 6904.00 66562.00 33660.00 1673.00 26425.00 398474.50 11361.00 61793.00 7307.00 16554.00 22446.50 70320.50 20422.00 6576.00 19282.00 8403.00 33136.67 40166.00 17766.00 1627.00 2068.00 16377.00 6087.33 5192.00 144725.00 85196.00 65848.00 707919.00 50148.00 21866.00
isothreonic acid
1572.55 669.00 795.00 1579.00 1080.00 1185.00 1219.50 1863.00 1269.00 1186.00 1235.00 1590.00 1383.50 1249.00 1592.00 520.00 1457.00 2691.50 439.00 609.00 1821.00 1097.00 788.00 1727.00 629.00 1759.00 2291.00 1010.00 554.00 1328.33 1380.00 647.00 2620.00 1084.00 753.00 2584.50 3182.00
ketohexose
686.18 234.00 665.00 407.00 382.00 468.00 609.50 1254.00 1552.00 1148.00 853.00 993.50 1269.00 1795.00 3688.00 1348.00 1452.00 3493.00 2220.50 890.00 383.00 568.00 459.00 490.33 403.00 984.00 1597.00 675.00 641.00 692.33 557.00 2803.00 2602.00 789.00 2145.00 2496.00 3903.00
lactamide
1353.45 403.00 155.00 116.00 447.00 722.00 211.00 583.00 2955.00 413.00 439.00 710.50 2020.00 180.00 37.00 330.00 54.00 138.00 120.00 205.00 2760.00 210.00 216.00 430.33 112.00 1800.00 278.00 444.00 649.00 550.33 413.00 171.00 107.00 20.00 101.00 53.50 233.00
lactic acid
761159.09 269377.00 31013.00 24216.00 316730.00 595046.50 94690.50 400074.00 1091298.00 290434.00 269519.00 604521.00 648784.00 149087.00 16707.00 18127.00 11859.00 75798.50 60138.00 76439.00 1403821.00 106160.00 134083.00 210582.67 10433.00 203153.00 182737.00 129795.00 614509.00 418791.67 379494.00 66901.00 33343.00 6439.00 32003.00 37982.50 111809.00
lactose
1960.91 365.00 1810.00 11813.00 174.00 3753.00 8999.00 9910.00 4027.00 8475.00 1274.00 12285.00 8028.00 505.00 514.00 327.00 347.00 1075.00 72.00 780.00 13300.00 1959.00 16654.00 11253.33 4311.00 2088.00 2146.00 1616.00 13302.00 6680.00 3717.00 1339.00 388.00 172.00 32223.00 1343.50 4321.00
lanosterol
956.91 117.00 4297.00 1321.00 25.00 634.50 1504.50 19.00 504.00 1442.00 825.00 697.50 2364.00 47.00 2217.00 1374.00 365.00 275.00 2406.50 1944.00 990.00 66.00 601.00 790.00 1752.00 707.00 1774.00 212.00 696.00 526.33 1684.00 328.00 2255.00 17.00 76.00 818.50 506.00
leucine
366891.55 257794.00 227876.00 330041.00 160577.00 290838.50 178065.00 382127.00 311414.00 620676.00 773678.00 277420.00 263676.00 277300.00 315808.00 437204.00 574242.00 561259.00 621127.00 129545.00 249899.00 175318.00 122736.00 142633.33 391695.00 495699.00 683527.00 177702.00 217999.00 533651.00 548021.00 451025.00 304708.00 835333.00 216862.00 434862.00 456669.00
levoglucosan
1409.80 214.00 157.00 430.00 1164.00 373.50 557.50 4045.00 1202.00 1074.00 1414.00 3079.00 1167.50 13139.00 1429.00 282.00 652.00 1143.00 348.00 497.00 1414.00 1768.00 1159.00 1311.67 495.00 1615.00 1646.00 1750.00 987.00 1164.67 1315.00 716.00 968.00 93.00 501.00 857.50 1013.00
lignoceric acid
1563.09 5322.00 3801.00 2832.00 1896.00 3108.00 2773.00 3456.00 4429.00 3500.00 1921.00 3325.50 3414.00 2961.00 875.00 3824.00 1770.00 2057.50 3864.00 6574.00 5645.00 1403.00 1329.00 3381.00 1171.00 2057.00 4370.00 2320.00 2944.00 2135.33 1286.00 3881.00 4338.00 188.00 6006.00 2835.00 2208.00
linoleic acid
34991.91 53382.00 14800.00 21810.00 23990.00 23545.50 15829.50 33855.00 32798.00 17387.00 21028.00 22201.00 27838.00 15778.00 8540.00 43944.00 36148.00 8975.50 33824.50 16268.00 9768.00 23042.00 44377.00 24901.67 20963.00 36347.00 33698.00 28528.00 36357.00 25559.00 15257.00 24100.00 11797.00 9952.00 7387.00 8505.00 5977.00
linolenic acid
9052.91 47143.00 12257.00 19534.00 21721.00 8008.00 13702.50 3350.00 29735.00 16226.00 18709.00 20420.50 12401.50 14240.00 6488.00 38567.00 9893.00 6179.00 14007.50 13570.00 4954.00 1030.00 18822.00 10719.67 18263.00 3859.00 7542.00 29347.00 31306.00 13896.67 15591.00 12989.00 9780.00 9319.00 4418.00 7495.50 5362.00
lysine
145246.09 35659.00 61815.00 70870.00 90086.00 28425.00 66300.50 38373.00 25009.00 24506.00 16019.00 49370.50 46445.00 212986.00 200328.00 14949.00 69556.00 164924.00 196129.00 25601.00 51037.00 106054.00 70951.00 55361.67 90584.00 42232.00 3880.00 12121.00 38742.00 40487.33 35708.00 150960.00 215707.00 317561.00 7753.00 265673.00 169666.00
lyxitol
15224.00 4329.00 6983.00 24247.00 6897.00 7202.50 4907.50 22106.00 13655.00 16944.00 26042.00 1241.00 17879.50 14560.00 15997.00 8247.00 41731.00 16950.00 12908.50 14076.00 8546.00 13616.00 9854.00 8340.00 6013.00 16920.00 35627.00 37680.00 9874.00 14845.00 23924.00 8853.00 14610.00 49025.00 53258.00 12255.50 17765.00
lyxose
85837.27 77082.00 230757.00 119562.00 86619.00 223303.50 87710.50 469.00 2789.00 1967.00 2241.00 3285.00 2998.00 356046.00 218014.00 127356.00 40954.00 117088.50 43089.00 149915.00 92404.00 766812.00 105546.00 105097.67 139175.00 2512.00 3582.00 2990.00 2246.00 2133.00 2314.00 55643.00 108354.00 4306.00 66252.00 136727.00 80761.00
maleimide
2865.27 1135.00 1102.00 1881.00 2457.00 1459.50 1227.50 4547.00 3203.00 1960.00 2099.00 1542.00 3285.00 304.00 375.00 353.00 455.00 319.50 706.50 477.00 2406.00 1409.00 2657.00 3634.00 1174.00 1927.00 1049.00 2980.00 1370.00 3328.33 6578.00 471.00 664.00 524.00 1667.00 732.50 291.00
malic acid
578.45 360.00 739.00 848.00 640.00 615.00 364.50 93.00 59.00 250.00 132.00 183.50 163.00 384.00 249.00 134.00 584.00 729.00 275.50 303.00 161.00 277.00 313.00 979.33 537.00 140.00 301.00 139.00 67.00 139.33 300.00 303.00 762.00 1424.00 2628.00 340.00 1032.00
malonic acid
130.18 207.00 416.00 279.00 54.00 171.00 171.50 54.00 88.00 91.00 24.00 82.00 52.00 110.00 56.00 111.00 405.00 140.00 178.00 370.00 145.00 102.00 100.00 133.00 147.00 32.00 153.00 124.00 32.00 59.33 63.00 123.00 113.00 259.00 1395.00 23.00 219.00
maltitol
1313.36 1763.00 1046.00 527.00 4157.00 2639.00 2381.00 17846.00 1822.00 26395.00 2312.00 23066.00 4030.50 875.00 995.00 806.00 226.00 1211.50 253.00 1684.00 6594.00 7321.00 14697.00 3286.33 394.00 12513.00 7195.00 3997.00 3830.00 1852.00 185497.00 423.00 1202.00 168.00 760.00 1714.00 1175.00
maltose
62928.82 8600.00 85181.00 70696.00 286495.00 120061.00 162304.50 317079.00 136609.00 129121.00 68634.00 214809.50 338957.00 14396.00 6099.00 3353.00 18959.00 15550.50 1571.50 41745.00 47250.00 254897.00 331138.00 448473.33 8319.00 55645.00 84199.00 42998.00 328073.00 209697.00 242293.00 4107.00 7461.00 8658.00 1556674.00 22754.00 16857.00
maltotriitol
1151.55 167.00 363.00 260.00 366.00 506.50 2216.00 3011.00 4730.00 8369.00 372.00 9994.50 4888.50 25.00 56.00 93.00 72.00 26.50 64.00 266.00 347.00 287.00 3784.00 3110.00 93.00 887.00 254.00 815.00 1904.00 5725.33 1097.00 43.00 24.00 107.00 30.00 92.00 135.00
maltotriose
2224.36 520.00 1407.00 889.00 1486.00 282.00 1461.00 8548.00 4377.00 9116.00 2679.00 12606.00 7813.00 151.00 59.00 446.00 311.00 289.00 130.00 228.00 135.00 259.00 2244.00 3547.67 201.00 3621.00 1713.00 4865.00 9200.00 6035.00 7546.00 435.00 80.00 44.00 178.00 283.50 133.00
mannose
146037.64 19173.00 15305.00 25557.00 24290.00 22978.00 25811.50 722329.00 1287084.00 12269.00 381758.00 360151.50 8011.00 53755.00 27167.00 41211.00 20056.00 32126.00 25219.50 37262.00 21930.00 33278.00 16515.00 20240.00 52025.00 14126.00 191229.00 7055.00 15091.00 678172.33 263326.00 31918.00 16787.00 5672.00 2592.00 145589.00 66209.00
melezitose
906.18 128.00 123.00 72.00 302.00 150.50 316.50 53369.00 3073.00 2855.00 4841.00 2753.00 60508.50 32.00 127.00 182.00 37.00 59.00 138.00 165.00 218.00 165.00 863.00 655.33 38.00 4303.00 8169.00 2724.00 122258.00 21951.33 58084.00 50.00 202.00 67.00 165.00 58.50 21.00
melibiose
1118.00 56.00 80.00 70.00 2016.00 3048.50 186916.50 16571.00 6941.00 9638.00 1841.00 11474.00 8841.50 222.00 202.00 182.00 63.00 280.00 67.00 64.00 181.00 480.00 165279.00 166846.33 32.00 5219.00 2333.00 4680.00 15302.00 3927.33 5880.00 62.00 241.00 16.00 1175.00 228.00 341.00
methanolphosphate
993.09 88.00 224.00 76.00 1247.00 103.00 629.00 656.00 1301.00 65.00 247.00 598.50 1179.00 73.00 595.00 67.00 336.00 274.50 281.50 2325.00 363.00 44.00 106.00 1011.00 64.00 888.00 105.00 1736.00 66.00 366.33 83.00 93.00 925.00 254.00 1566.00 525.00 381.00
methionine
26067.18 37024.00 38665.00 61620.00 26070.00 29979.50 31621.00 36926.00 17948.00 31896.00 47084.00 22301.00 22775.50 349.00 1215.00 861.00 14286.00 2713.50 5146.00 24503.00 30551.00 27405.00 25477.00 21437.67 63138.00 43755.00 54339.00 18218.00 14897.00 36513.00 56771.00 981.00 4026.00 42460.00 14502.00 9437.50 1537.00
methionine sulfoxide
25149.73 8247.00 11515.00 12159.00 6964.00 7693.50 9564.00 3324.00 4374.00 4000.00 5213.00 3220.00 3483.50 37939.00 62982.00 20448.00 46184.00 62568.50 57783.00 14142.00 7636.00 7846.00 6144.00 8030.00 15242.00 7023.00 7036.00 4715.00 4214.00 11280.67 15237.00 29847.00 83703.00 149416.00 4774.00 72244.00 59394.00
monomyristin
635.45 227.00 566.00 66.00 131.00 183.50 401.50 125.00 94.00 108.00 103.00 97.50 87.00 23.00 68.00 256.00 86.00 38.50 191.50 228.00 244.00 85.00 477.00 218.33 167.00 190.00 57.00 123.00 169.00 109.33 98.00 257.00 48.00 24.00 71.00 32.00 18.00
myo-inositol
36279.91 40387.00 12444.00 8822.00 34209.00 25195.00 24150.00 73425.00 46365.00 75273.00 40890.00 63395.50 94059.50 92618.00 83699.00 33176.00 12821.00 39692.00 34732.00 18169.00 43351.00 22598.00 27517.00 26879.33 7452.00 60450.00 42629.00 56980.00 78663.00 45326.67 65360.00 37890.00 49903.00 9827.00 83590.00 46100.50 40667.00
myristic acid
4637.73 4843.00 4081.00 2879.00 2445.00 3020.00 2702.50 1877.00 1394.00 1137.00 970.00 1560.00 1575.00 2108.00 2077.00 2451.00 1722.00 1241.00 3645.50 3824.00 2494.00 2165.00 2553.00 3447.33 2811.00 2068.00 2174.00 2369.00 1468.00 1601.67 1098.00 7602.00 3223.00 1572.00 1139.00 2527.00 1212.00
N-acetylaspartic acid
6249.73 2080.00 8424.00 31618.00 20650.00 20307.50 27030.00 3231.00 1142.00 4612.00 3793.00 5857.00 3518.00 35967.00 25110.00 17258.00 7725.00 17096.50 3699.00 36182.00 33618.00 35443.00 48966.00 27451.00 32512.00 3875.00 3067.00 9171.00 4530.00 3413.33 17103.00 8695.00 15826.00 1633.00 8129.00 14073.50 15364.00
N-acetyl-D-galactosamine
31785.18 34410.00 24604.00 59902.00 50976.00 41548.50 57584.00 19290.00 9685.00 28715.00 28995.00 22132.00 13714.00 62920.00 49185.00 40587.00 42778.00 59258.50 48091.00 62424.00 45312.00 89815.00 38869.00 48736.67 168189.00 15866.00 23530.00 55793.00 23651.00 28529.67 53663.00 60923.00 75391.00 23864.00 14021.00 71814.00 73137.00
n-acetyl-d-hexosamine
3175.55 1963.00 6048.00 2778.00 4624.00 5187.00 6310.00 12755.00 14758.00 4963.00 3621.00 4593.00 7179.00 8612.00 8119.00 8818.00 1579.00 11109.00 3483.50 9625.00 3295.00 4707.00 6701.00 6779.00 2843.00 6883.00 7422.00 2937.00 11709.00 4957.33 5511.00 9923.00 6868.00 753.00 1269.00 8136.50 9759.00
N-acetyl-D-mannosamine
17417.64 13553.00 5384.00 33379.00 20347.00 25902.00 21484.50 12161.00 21461.00 35936.00 19252.00 27724.50 27594.50 23514.00 21256.00 16452.00 21235.00 51677.00 22337.50 43504.00 29373.00 36361.00 8430.00 15775.00 62826.00 40465.00 24953.00 13805.00 20820.00 22917.00 21148.00 44681.00 44695.00 5598.00 11514.00 24853.00 67807.00
N-acetylglutamate
396.09 428.00 248.00 411.00 189.00 264.50 289.50 171.00 144.00 360.00 183.00 278.00 150.00 40.00 77.00 238.00 118.00 519.00 435.00 618.00 260.00 152.00 223.00 427.00 186.00 426.00 250.00 715.00 229.00 369.67 790.00 100.00 1010.00 776.00 869.00 336.00 796.00
N-acetylornithine
2135.73 2015.00 2071.00 2294.00 918.00 2275.50 2041.00 980.00 416.00 610.00 793.00 986.00 1760.00 7395.00 3911.00 7478.00 1013.00 4535.50 5789.50 7842.00 1044.00 3124.00 1500.00 1845.67 2014.00 1323.00 618.00 1209.00 405.00 1191.67 572.00 4744.00 3730.00 1160.00 77.00 3502.50 4201.00
N-acetylputrescine
3551.73 2810.00 11112.00 10697.00 4423.00 5018.00 13144.00 726.00 16325.00 24403.00 14704.00 12872.50 7084.50 6798.00 4738.00 3906.00 5218.00 10363.00 26447.50 31110.00 5579.00 6638.00 2015.00 6246.67 11478.00 17773.00 24537.00 51674.00 9567.00 31144.67 8637.00 7999.00 5239.00 3466.00 747.00 21032.50 4049.00
nicotinic acid
17161.82 26467.00 35353.00 38896.00 12873.00 29952.00 28611.00 15622.00 7205.00 6294.00 5474.00 10235.00 5301.50 15593.00 19247.00 17845.00 6790.00 13119.50 13272.50 48189.00 25905.00 20944.00 29701.00 20746.00 31138.00 8893.00 7952.00 10020.00 7418.00 9178.00 6215.00 16530.00 14253.00 14470.00 90052.00 15680.00 10924.00
N-methylalanine
51419.55 39027.00 26195.00 15441.00 19170.00 42137.00 23651.50 35065.00 160582.00 29692.00 79310.00 47771.50 44731.00 19703.00 10301.00 24695.00 30240.00 60171.50 80018.50 10950.00 28026.00 15965.00 25055.00 23415.33 9820.00 105533.00 63136.00 160343.00 22490.00 38819.00 123444.00 43877.00 28441.00 27324.00 3309.00 43597.00 69053.00
nonadecanoic acid
3329.55 4147.00 4596.00 3006.00 3799.00 3664.00 4044.00 8846.00 3910.00 6744.00 5339.00 5473.50 3952.50 2436.00 1832.00 2577.00 1712.00 2521.50 2404.50 4445.00 3589.00 3810.00 1881.00 5003.00 2519.00 6058.00 4418.00 7915.00 4999.00 4210.67 4382.00 3881.00 2282.00 1089.00 3808.00 6669.50 2172.00
norleucine
1298.27 1412.00 8314.00 2772.00 2115.00 1627.00 5557.50 26.00 206.00 48.00 188.00 104.00 132.50 1381.00 627.00 806.00 785.00 929.50 2597.00 2744.00 155.00 3112.00 2152.00 4250.67 521.00 111.00 233.00 101.00 161.00 5056.00 71.00 1348.00 633.00 4370.00 61.00 1144.00 805.00
norvaline
4816.91 3951.00 19955.00 1373.00 2123.00 5791.00 19061.50 3435.00 1133.00 2199.00 8319.00 2533.00 3668.00 3058.00 1180.00 2822.00 1251.00 1805.50 13566.00 10774.00 790.00 3691.00 5506.00 4337.33 541.00 2725.00 8795.00 12507.00 1860.00 2852.33 6445.00 3165.00 1595.00 3261.00 307.00 5095.50 1363.00
O-acetylserine
534.55 1056.00 619.00 1290.00 436.00 1037.50 505.00 1905.00 1892.00 2523.00 1955.00 1458.00 1970.50 188.00 50.00 457.00 160.00 97.00 133.50 956.00 977.00 1801.00 1496.00 598.00 1065.00 2039.00 1045.00 432.00 1901.00 1688.33 137.00 188.00 133.00 121.00 76.00 156.50 51.00
octadecanol
1457.55 941.00 2336.00 690.00 713.00 810.50 749.50 223.00 447.00 394.00 474.00 402.50 534.00 589.00 1345.00 1218.00 520.00 633.50 518.50 809.00 902.00 441.00 575.00 1076.67 605.00 368.00 553.00 857.00 383.00 440.67 288.00 2565.00 1588.00 660.00 585.00 606.50 526.00
octadecylglycerol
8199.64 8573.00 11379.00 3768.00 7054.00 4388.00 7702.50 26059.00 8552.00 10561.00 7493.00 14977.00 16275.50 4285.00 7783.00 3357.00 6536.00 3419.50 8140.00 9911.00 3157.00 3437.00 4289.00 11675.00 4932.00 9856.00 12759.00 10934.00 7821.00 14801.00 8046.00 23619.00 14010.00 6378.00 1878.00 9833.00 2662.00
oleamide NIST
4547.18 4217.00 4105.00 936.00 8718.00 7627.50 3918.00 7287.00 3460.00 1156.00 8875.00 4455.50 5300.50 1039.00 2336.00 4125.00 1892.00 3068.00 2153.00 4521.00 4868.00 2509.00 4605.00 6075.00 4081.00 15531.00 1036.00 2114.00 3533.00 3783.33 167.00 1974.00 4138.00 593.00 2839.00 4448.00 1745.00
oleic acid
69278.36 72687.00 65199.00 23736.00 34126.00 48223.00 51781.00 35145.00 48344.00 13944.00 18787.00 21771.50 37032.50 28370.00 30004.00 51841.00 37168.00 33188.50 63907.00 65145.00 27709.00 27309.00 86288.00 48964.00 27811.00 50975.00 27131.00 35882.00 44308.00 26847.33 15657.00 77110.00 42971.00 23827.00 6180.00 35442.00 32832.00
ornithine
70857.00 20177.00 45365.00 58455.00 17676.00 14360.00 46010.50 50325.00 75943.00 108475.00 104230.00 60173.50 36612.00 144798.00 88263.00 12116.00 38268.00 64176.00 78009.50 58943.00 24112.00 31209.00 4486.00 21421.33 60133.00 143131.00 115109.00 116496.00 48937.00 130324.67 45884.00 62478.00 62272.00 81491.00 5753.00 132739.50 77522.00
orotic acid
1071.64 1121.00 2757.00 1356.00 266.00 557.50 1720.00 341.00 171.00 189.00 356.00 155.50 170.00 514.00 205.00 843.00 4317.00 1597.50 3474.00 2013.00 557.00 201.00 176.00 1178.33 1042.00 403.00 397.00 370.00 41.00 211.33 602.00 1348.00 2352.00 1578.00 1231.00 1202.50 1394.00
oxoproline
281026.00 113025.00 124348.00 325950.00 373569.00 178932.00 186256.50 321233.00 256323.00 235813.00 326088.00 368475.50 553703.00 51220.00 87685.00 29559.00 178664.00 99225.00 98441.00 99507.00 200357.00 210815.00 165996.00 385530.67 146971.00 325183.00 262850.00 393315.00 354887.00 283580.00 424637.00 67070.00 82010.00 234277.00 373526.00 102634.00 77015.00
palatinitol
3808.64 669.00 355.00 215.00 6461.00 1108.00 2547.50 18437.00 13478.00 6502.00 9577.00 14832.00 14019.50 72.00 327.00 152.00 296.00 229.50 637.50 355.00 1272.00 3536.00 6288.00 4761.33 176.00 11971.00 9241.00 831.00 25934.00 10553.00 9923.00 184.00 166.00 126.00 3571.00 609.00 337.00
palmitic acid
144826.27 146473.00 150962.00 92206.00 99320.00 101492.00 101005.00 78885.00 125924.00 49938.00 57518.00 67518.50 91658.00 79163.00 44783.00 123057.00 68514.00 66980.50 101578.00 126082.00 98296.00 68671.00 122217.00 114712.67 71527.00 94011.00 82536.00 102826.00 93816.00 74709.33 37099.00 124991.00 99339.00 39283.00 46555.00 70443.00 81547.00
palmitoleic acid
4001.45 1974.00 1660.00 374.00 744.00 1137.50 705.50 1047.00 974.00 61.00 408.00 583.50 1094.00 741.00 1241.00 1563.00 1527.00 909.00 2326.50 1285.00 435.00 562.00 2500.00 1180.67 663.00 1388.00 406.00 496.00 968.00 883.67 679.00 2702.00 1743.00 284.00 167.00 1831.50 1145.00
pantothenic acid
1671.45 2308.00 6817.00 2915.00 1236.00 2963.00 4090.50 613.00 657.00 433.00 652.00 871.00 603.00 2396.00 4238.00 1816.00 939.00 1775.00 3341.50 4913.00 2362.00 1732.00 2543.00 1793.00 3307.00 838.00 1226.00 664.00 215.00 719.33 211.00 4529.00 3354.00 2763.00 138.00 2302.50 2319.00
parabanic acid NIST
3075.73 1360.00 1273.00 692.00 993.00 1500.00 693.00 551.00 1412.00 418.00 1364.00 630.50 1061.50 483.00 810.00 731.00 2516.00 3144.50 1460.50 1005.00 2010.00 1051.00 582.00 2042.67 743.00 790.00 1928.00 897.00 1023.00 672.00 1009.00 691.00 1226.00 2449.00 3769.00 768.50 3197.00
pelargonic acid
15588.09 26390.00 22771.00 16098.00 20488.00 19771.00 14840.00 8196.00 13822.00 12722.00 11057.00 11325.00 14893.00 5377.00 8152.00 31839.00 6145.00 5488.00 8835.50 39654.00 15957.00 18163.00 19836.00 17168.00 15044.00 12805.00 13646.00 22116.00 10258.00 11541.00 8471.00 13792.00 11622.00 3812.00 28324.00 6746.50 7564.00
pentadecanoic acid
28211.45 27449.00 31816.00 26173.00 34930.00 25495.50 27837.50 25282.00 16315.00 19113.00 8665.00 24558.50 27872.50 21244.00 34338.00 20299.00 41848.00 22445.00 43678.00 20942.00 16755.00 29654.00 39712.00 43848.00 38684.00 15673.00 12370.00 15598.00 23437.00 15933.67 10956.00 108756.00 55585.00 33223.00 5315.00 38314.00 24761.00
pentitol
577.00 61.00 526.00 97.00 376.00 310.50 433.00 859.00 352.00 551.00 850.00 749.50 646.50 2259.00 1861.00 1003.00 48.00 302.00 179.50 191.00 500.00 541.00 654.00 428.33 533.00 596.00 1406.00 892.00 329.00 409.67 680.00 869.00 1498.00 283.00 16171.00 1345.00 674.00
phenylacetic acid
12214.91 26748.00 34571.00 8688.00 2707.00 4416.00 9729.00 136.00 117.00 124.00 340.00 1058.50 642.50 9678.00 12864.00 8960.00 1587.00 7156.50 12545.00 15171.00 515.00 3220.00 2548.00 6192.33 11565.00 1954.00 2970.00 38037.00 111.00 279.67 5972.00 15681.00 22520.00 3415.00 399.00 9224.50 8271.00
phenylalanine
136224.45 95075.00 93912.00 90026.00 87685.00 100765.00 86301.00 141931.00 139728.00 244268.00 218251.00 117589.50 84228.50 77258.00 106345.00 89346.00 272858.00 144041.00 211598.50 107745.00 58102.00 73249.00 55609.00 66787.33 115497.00 233132.00 284387.00 179240.00 97689.00 298057.33 214533.00 130286.00 199121.00 305192.00 62932.00 182239.00 149285.00
phenylethylamine
3832.82 11905.00 1209.00 294.00 274.00 8971.00 204.50 167.00 107.00 79.00 193.00 117.50 137.00 1156.00 301.00 2852.00 598.00 2620.00 10187.50 269.00 2071.00 827.00 380.00 443.67 215.00 150.00 135.00 219.00 180.00 196.00 90.00 10429.00 7029.00 319.00 247.00 3245.00 6802.00
phosphate
12948.45 5725.00 8304.00 6991.00 3983.00 4936.50 2198.50 3059.00 11718.00 2988.00 3498.00 2933.50 6956.50 3766.00 2055.00 3713.00 9681.00 2809.00 4556.50 6063.00 4991.00 1041.00 3628.00 4678.00 3223.00 4347.00 8080.00 4006.00 5374.00 3873.67 3276.00 6317.00 4910.00 7154.00 14786.00 2318.00 3817.00
phosphoethanolamine
286.36 369.00 705.00 399.00 273.00 289.50 206.50 81.00 105.00 53.00 100.00 89.00 111.50 54.00 229.00 163.00 492.00 283.50 267.00 231.00 451.00 202.00 56.00 298.00 249.00 79.00 391.00 145.00 151.00 99.33 56.00 283.00 449.00 425.00 564.00 322.00 181.00
p-hydroxylphenyllactic acid
6212.45 2197.00 3283.00 1153.00 3770.00 4991.50 4215.00 6688.00 4189.00 2541.00 2472.00 3590.00 3461.00 4609.00 1134.00 2291.00 478.00 1584.50 2895.00 3348.00 12311.00 3850.00 5704.00 4606.67 581.00 5993.00 5079.00 4621.00 5878.00 3663.33 2725.00 1431.00 1347.00 405.00 470.00 1623.00 2022.00
phytosphingosine
5420.64 7522.00 14755.00 2340.00 4419.00 2410.00 2924.00 3538.00 2122.00 2222.00 3232.00 12710.50 3230.50 5029.00 3441.00 1481.00 1829.00 2787.50 772.50 4656.00 3361.00 5070.00 2903.00 2926.33 5101.00 3076.00 3569.00 3587.00 3023.00 2673.00 3799.00 5558.00 18057.00 1234.00 2221.00 7339.50 2926.00
pinitol
11342.27 3026.00 8336.00 25925.00 20692.00 2272.50 8282.50 52005.00 18379.00 33931.00 39680.00 33014.50 26205.00 517.00 475.00 6264.00 1721.00 693.00 676.00 1109.00 12262.00 8808.00 5358.00 6753.67 837.00 24415.00 63851.00 65386.00 15375.00 15609.33 36532.00 513.00 805.00 87.00 1065.00 2947.00 468.00
pipecolinic acid
1769.00 3134.00 5968.00 2104.00 737.00 2059.50 922.00 3984.00 564.00 2004.00 3508.00 1782.50 3447.00 893.00 788.00 1990.00 896.00 1451.00 1639.00 2842.00 624.00 2541.00 3475.00 1310.33 2120.00 911.00 832.00 700.00 1534.00 1215.33 582.00 3335.00 2014.00 3044.00 142.00 909.00 419.00
piperidone
23916.91 38784.00 31923.00 9471.00 2439.00 26175.50 11008.00 923.00 883.00 1000.00 827.00 690.00 822.50 23353.00 11239.00 32615.00 2758.00 27509.00 75973.50 11372.00 9885.00 9058.00 8815.00 13908.67 16013.00 1487.00 734.00 2559.00 424.00 1354.33 742.00 18917.00 7067.00 96695.00 6685.00 28203.00 18018.00
proline
151240.09 153214.00 310636.00 280431.00 114191.00 110559.50 147752.50 319350.00 56102.00 391959.00 518297.00 183815.00 115820.50 220485.00 238975.00 201810.00 228618.00 494024.00 453268.50 188957.00 71662.00 55101.00 118931.00 73119.67 240296.00 141861.00 246345.00 44542.00 209473.00 228166.33 205450.00 301597.00 160064.00 601531.00 78842.00 284568.50 385606.00
propane-1,3-diol NIST
3553.82 1781.00 593.00 482.00 15239.00 2461.00 880.50 13795.00 5933.00 8666.00 12842.00 19356.50 7879.00 1115.00 186.00 791.00 214.00 339.00 705.50 1288.00 5779.00 708.00 2511.00 3082.67 272.00 20201.00 9684.00 16029.00 14792.00 9679.67 10635.00 467.00 409.00 99.00 341.00 248.00 502.00
pseudo uridine
10319.82 5779.00 4612.00 7669.00 4677.00 6424.50 5682.00 2340.00 1691.00 1056.00 1260.00 3385.00 1922.00 1266.00 3108.00 2926.00 6628.00 6361.50 2832.50 8461.00 2657.00 4964.00 6524.00 5690.67 7388.00 4963.00 2691.00 1651.00 777.00 2771.67 5038.00 2529.00 3058.00 9078.00 26232.00 3824.00 5445.00
putrescine
162736.36 574481.00 1380413.00 340639.00 146477.00 409023.00 262681.00 46251.00 31603.00 29577.00 27370.00 66666.50 68442.00 11066.00 78420.00 48340.00 21223.00 114574.00 115890.00 44868.00 291593.00 178362.00 179021.00 63219.67 363883.00 37110.00 56130.00 165128.00 121798.00 115752.67 43217.00 485041.00 128425.00 273762.00 6192.00 247804.00 83633.00
pyruvic acid
8385.55 19684.00 4337.00 8419.00 16414.00 8584.00 2791.00 4963.00 12782.00 7860.00 3418.00 13216.50 10350.00 676.00 904.00 847.00 3736.00 690.50 2302.50 9757.00 9423.00 10651.00 5119.00 7498.67 5698.00 23940.00 11759.00 7540.00 3253.00 11943.00 48246.00 1085.00 1588.00 2230.00 1680.00 1140.50 640.00
raffinose
14558.91 259.00 488.00 537.00 158.00 259.50 443.00 67.00 113476.00 62312.00 69315.00 65244.00 103760.50 67.00 24.00 82.00 28.00 34.00 61.50 433.00 115.00 105.00 1553.00 2142.00 128.00 73745.00 34961.00 338.00 65.00 46530.00 218.00 644.00 37.00 28.00 204.00 57.00 84.00
ribitol
7499.73 6081.00 4020.00 2753.00 13864.00 8064.50 4716.50 20432.00 12808.00 3759.00 24813.00 9726.50 2686.50 16882.00 13360.00 5859.00 5194.00 14160.00 3241.50 4873.00 9139.00 16764.00 4190.00 6892.67 9728.00 5702.00 6506.00 5412.00 12468.00 4902.33 8333.00 4379.00 14988.00 3558.00 1355.00 12403.00 12543.00
ribonic acid
1602.64 439.00 318.00 252.00 1066.00 623.50 496.00 2862.00 794.00 1518.00 2090.00 1954.50 1925.50 6945.00 3493.00 382.00 1238.00 5128.00 1009.00 445.00 2825.00 1065.00 1284.00 1402.33 365.00 2243.00 2613.00 2491.00 1544.00 1716.33 2197.00 2006.00 1703.00 1644.00 590.00 3373.50 3208.00
ribose
52830.55 96457.00 95705.00 215117.00 132985.00 108678.50 169310.50 44831.00 41919.00 42770.00 32897.00 55632.50 43675.50 95004.00 152477.00 121991.00 90126.00 78549.00 19138.00 315815.00 111698.00 121918.00 142509.00 110369.67 238332.00 49689.00 30811.00 60878.00 47700.00 42722.33 43598.00 35893.00 84677.00 14705.00 71302.00 103999.50 68863.00
sarcosine
25301.09 20931.00 21041.00 16803.00 22777.00 20541.50 26688.00 10612.00 19022.00 14433.00 15030.00 14104.00 1893.50 8657.00 8297.00 13798.00 4397.00 4180.00 7804.50 31346.00 21148.00 11443.00 40360.00 28373.67 6223.00 13369.00 13831.00 23071.00 10308.00 14656.00 10193.00 10368.00 12486.00 1185.00 10729.00 6131.50 6016.00
serine
106843.82 56311.00 39429.00 58426.00 61183.00 51598.00 40823.00 35872.00 37488.00 43141.00 24351.00 35338.50 25664.00 96671.00 119563.00 71008.00 281293.00 158155.00 119111.50 73721.00 65764.00 48848.00 23278.00 42596.67 103188.00 76054.00 38337.00 38089.00 25985.00 59568.33 122063.00 101994.00 166819.00 145424.00 111429.00 201676.00 191125.00
shikimic acid
2590.55 1445.00 1580.00 1844.00 2340.00 2112.50 2131.00 3597.00 2708.00 2756.00 2961.00 2001.00 1436.00 2091.00 1140.00 2499.00 1040.00 1272.50 1446.50 2259.00 2119.00 2056.00 3401.00 3309.33 1899.00 1359.00 2548.00 4070.00 2804.00 3038.67 2569.00 1447.00 1348.00 687.00 2568.00 1769.50 905.00
sinapinic acid
3396.45 5892.00 1447.00 1836.00 4536.00 4010.00 3971.00 1735.00 273.00 925.00 1046.00 937.50 1367.50 3509.00 1025.00 1233.00 396.00 727.50 854.50 1802.00 7393.00 5684.00 7318.00 11177.00 3992.00 452.00 1452.00 1497.00 745.00 881.67 870.00 2054.00 591.00 198.00 559.00 867.50 406.00
sophorose
6699.00 444.00 1113.00 1141.00 35685.00 2764.00 16575.50 47896.00 24927.00 32685.00 946.00 51227.00 54341.00 464.00 598.00 906.00 218.00 1079.50 149.50 1554.00 2065.00 10699.00 15048.00 21769.33 307.00 14287.00 1913.00 12940.00 45562.00 32387.67 19326.00 386.00 565.00 133.00 816.00 2594.50 1168.00
sorbitol
16319.18 6682.00 6313.00 7859.00 11968.00 11260.00 16009.50 54154.00 4682.00 36389.00 36586.00 24200.50 39171.00 6169.00 10710.00 2644.00 17461.00 15166.00 3953.50 2276.00 14195.00 9152.00 19407.00 12805.00 8466.00 29424.00 27633.00 13947.00 35906.00 31577.67 33281.00 4329.00 12453.00 8054.00 18027.00 17950.50 19096.00
squalene
4186.55 1693.00 1545.00 800.00 892.00 1301.50 1031.00 2756.00 1654.00 1104.00 948.00 1004.50 1814.50 2058.00 1124.00 576.00 1264.00 1193.00 2418.50 2345.00 1251.00 611.00 1338.00 1299.67 540.00 1294.00 1335.00 1347.00 1663.00 1330.67 1290.00 3122.00 1687.00 1995.00 6279.00 2569.00 1384.00
stearic acid
647574.45 928793.00 872357.00 522648.00 530044.00 604963.50 636539.00 456459.00 876257.00 398478.00 368591.00 456041.00 569983.00 491947.00 270644.00 717269.00 368361.00 330468.00 512662.00 801601.00 636126.00 364436.00 593024.00 632757.33 396032.00 505137.00 603182.00 625233.00 555199.00 504858.67 247816.00 710543.00 600797.00 212644.00 256299.00 358703.00 437019.00
succinic acid
135621.91 62820.00 429462.00 79696.00 344648.00 409559.00 361161.00 56521.00 42632.00 31147.00 40168.00 55738.50 61013.00 65677.00 6932.00 4482.00 4961.00 20973.50 6616.00 20168.00 117121.00 59730.00 286826.00 707722.33 21110.00 67242.00 7555.00 57508.00 70449.00 53883.33 38646.00 9082.00 54243.00 3496.00 5481.00 33303.50 29516.00
sucrose
2508.18 86.00 382.00 252.00 909.00 163.50 768.50 9670.00 7501.00 5987.00 2209.00 12881.50 15953.50 148.00 413.00 282.00 103.00 186.50 44.50 1002.00 297.00 1565.00 424.00 970.00 28.00 5137.00 7136.00 9723.00 11014.00 10477.67 9206.00 32.00 156.00 126.00 358.00 141.50 440.00
tagatose
688.27 234.00 547.00 407.00 382.00 468.00 659.50 1290.00 1634.00 889.00 946.00 772.50 1305.50 2245.00 3788.00 1400.00 1292.00 3601.00 1903.00 973.00 383.00 560.00 459.00 477.67 354.00 958.00 1597.00 675.00 317.00 712.33 602.00 2655.00 2633.00 507.00 2145.00 2651.50 4101.00
taurine
3022.36 853.00 819.00 3204.00 2567.00 691.00 1324.50 1567.00 445.00 1845.00 4657.00 2075.50 433.50 943.00 678.00 1207.00 775.00 3200.00 1811.50 260.00 1302.00 304.00 1867.00 2195.00 2425.00 675.00 237.00 349.00 596.00 1209.33 382.00 867.00 578.00 5222.00 386.00 1931.00 2664.00
threitol
2203.55 2184.00 12158.00 2944.00 2588.00 4436.50 6096.50 983.00 755.00 783.00 1212.00 903.50 747.50 717.00 923.00 954.00 300.00 1110.50 331.00 3732.00 3830.00 2844.00 5048.00 4795.33 3332.00 1248.00 2325.00 1232.00 441.00 781.33 855.00 681.00 852.00 222.00 2898.00 1504.00 887.00
threonic acid
1158.45 230.00 275.00 314.00 586.00 440.00 322.00 582.00 428.00 576.00 671.00 699.00 1011.00 1414.00 1231.00 475.00 951.00 1676.50 684.50 358.00 684.00 484.00 554.00 806.67 346.00 591.00 719.00 474.00 469.00 537.33 1477.00 448.00 2955.00 899.00 259.00 847.00 1994.00
threonine
75103.09 61622.00 45843.00 61628.00 59721.00 58659.00 47395.50 73438.00 32243.00 93748.00 82957.00 53888.50 47012.50 80278.00 72314.00 55239.00 110093.00 51388.50 63264.00 69605.00 78499.00 47584.00 28273.00 41685.00 92486.00 94868.00 87780.00 57230.00 52922.00 85366.33 70802.00 56757.00 90150.00 43578.00 83356.00 88784.50 30358.00
thymidine
904.18 874.00 2245.00 8696.00 992.00 3131.50 5771.50 742.00 1170.00 792.00 479.00 306.50 421.00 186.00 986.00 4574.00 261.00 338.00 480.50 15731.00 990.00 1251.00 3628.00 1897.67 4273.00 325.00 3744.00 1093.00 629.00 765.33 1345.00 311.00 182.00 354.00 668.00 155.00 122.00
thymine
10818.00 18295.00 11779.00 20623.00 7592.00 17365.00 7883.50 15524.00 14237.00 9143.00 10106.00 8353.00 8465.50 6835.00 10600.00 11830.00 16574.00 20112.50 13757.00 20919.00 8193.00 6630.00 5878.00 9225.33 14807.00 23212.00 16448.00 6350.00 5923.00 11440.67 16054.00 17374.00 7741.00 12101.00 7029.00 8387.50 17700.00
tocopherol acetate
36421.45 77111.00 83174.00 31659.00 19911.00 37269.00 36919.50 40919.00 39044.00 29886.00 13731.00 23339.00 22521.50 40257.00 45116.00 14659.00 34445.00 12160.00 68738.50 80576.00 50706.00 24972.00 38212.00 31234.67 23204.00 26607.00 31808.00 26326.00 30611.00 15713.67 18214.00 37625.00 39167.00 49492.00 4591.00 21534.50 4296.00
tocopherol alpha-
178146.73 333987.00 597664.00 316704.00 192949.00 184481.00 258639.00 211997.00 177379.00 242260.00 217940.00 187040.00 227186.50 130464.00 89767.00 144830.00 73072.00 57389.00 197599.00 401651.00 272632.00 165199.00 192523.00 277981.33 240221.00 174760.00 307894.00 323384.00 188251.00 177682.00 196839.00 180300.00 61697.00 79876.00 20770.00 107220.00 27960.00
tocopherol beta-
369.82 907.00 569.00 639.00 433.00 353.50 502.00 559.00 365.00 688.00 446.00 480.00 507.00 321.00 236.00 368.00 349.00 136.50 412.00 601.00 481.00 375.00 422.00 527.33 470.00 249.00 931.00 669.00 382.00 277.33 399.00 376.00 313.00 141.00 102.00 179.00 135.00
tocopherol delta-
3836.73 8584.00 7834.00 6131.00 4831.00 3909.00 4545.50 5234.00 4602.00 5569.00 3757.00 2026.50 5294.00 1796.00 1336.00 2276.00 1333.00 936.00 2826.00 6170.00 2069.00 3631.00 3793.00 4603.00 4205.00 3204.00 6129.00 6151.00 4982.00 3856.33 4720.00 1494.00 1997.00 1763.00 1386.00 1405.50 1090.00
tocopherol gamma-
11274.64 21156.00 18745.00 15828.00 6073.00 8618.00 9289.00 15470.00 8446.00 14364.00 12746.00 10613.50 12199.00 5208.00 4096.00 3178.00 4019.00 2632.50 7519.00 10711.00 9068.00 8044.00 7271.00 10132.33 10998.00 8112.00 17640.00 17144.00 8312.00 6941.33 12073.00 6708.00 4258.00 6025.00 1403.00 3823.00 2514.00
trans-4-hydroxyproline
16196.64 2785.00 8651.00 13271.00 15380.00 7250.00 10794.50 27451.00 8099.00 18744.00 27450.00 21285.50 21626.50 6820.00 6713.00 5198.00 20223.00 18308.50 36709.00 6046.00 6772.00 7588.00 14626.00 15469.00 13541.00 22988.00 14340.00 50647.00 18560.00 20523.67 10514.00 10132.00 8254.00 104608.00 58077.00 34569.00 20915.00
tryptophan
135619.45 211153.00 340750.00 199546.00 215361.00 162327.50 147164.00 95182.00 145272.00 130019.00 158327.00 107166.00 118973.00 13983.00 10585.00 3724.00 138699.00 28198.50 34836.00 276525.00 187158.00 174013.00 173898.00 152100.33 146105.00 164378.00 19076.00 125452.00 177363.00 183541.33 143097.00 5707.00 37551.00 174485.00 26367.00 37722.00 35369.00
tyramine
226966.91 720342.00 18220.00 53707.00 77549.00 361975.00 50579.50 33502.00 18916.00 17793.00 11311.00 36732.00 34795.00 51397.00 151728.00 186635.00 15559.00 225596.50 374663.00 12672.00 314797.00 86485.00 55469.00 45228.00 24872.00 29616.00 4877.00 8598.00 28487.00 29764.00 25013.00 430554.00 471270.00 338102.00 5336.00 393568.00 281847.00
tyrosine
254198.36 74117.00 135961.00 192121.00 196124.00 99820.50 195777.50 352610.00 258125.00 342010.00 459664.00 275716.00 191858.00 229668.00 197350.00 127260.00 385754.00 239806.00 313442.00 221181.00 186407.00 188832.00 200547.00 178759.33 223128.00 470136.00 567756.00 382465.00 212596.00 500813.67 330022.00 134876.00 257726.00 560515.00 101839.00 337861.50 264017.00
tyrosol
1067.18 950.00 2029.00 302.00 206.00 895.00 1060.50 100.00 81.00 74.00 175.00 175.50 88.00 428.00 521.00 550.00 192.00 803.00 1589.50 2588.00 461.00 332.00 524.00 506.33 352.00 200.00 273.00 1246.00 87.00 105.00 176.00 905.00 1594.00 141.00 223.00 577.50 609.00
UDP-glucuronic acid
2070.91 2591.00 6526.00 1639.00 4811.00 2396.00 3571.00 4350.00 3637.00 22624.00 10934.00 12443.50 10382.00 1273.00 1369.00 895.00 2426.00 1871.00 631.00 1644.00 3430.00 4562.00 2652.00 4105.67 2795.00 13322.00 5862.00 11367.00 12996.00 7524.67 7920.00 1907.00 2405.00 145.00 1627.00 1024.50 3375.00
uracil
40810.09 70843.00 36869.00 79446.00 27233.00 65363.50 38358.50 28313.00 16036.00 18121.00 18558.00 15613.00 11629.00 30421.00 63345.00 73852.00 115289.00 131733.00 76077.50 75489.00 18979.00 21507.00 27234.00 31032.00 105509.00 33689.00 27745.00 20723.00 3689.00 22770.33 28478.00 51104.00 29767.00 59654.00 42348.00 62244.00 83824.00
urea
351800.45 138294.00 2851.00 1311.00 3901.00 65818.50 2955.50 5170.00 376685.00 2513.00 7889.00 22332.50 148109.00 24292.00 3095.00 4125.00 8482.00 4997.50 5711.50 5916.00 4263.00 1244.00 87468.00 30712.00 3492.00 78108.00 221362.00 5109.00 176148.00 272379.33 164856.00 9055.00 207.00 8606.00 10740.00 3310.00 3529.00
uric acid
1369.36 410.00 673.00 1346.00 190.00 605.00 321.50 272.00 369.00 186.00 352.00 234.00 182.00 248.00 1742.00 546.00 351.00 2717.50 1104.50 1219.00 90.00 349.00 139.00 297.67 863.00 1296.00 160.00 134.00 130.00 270.67 436.00 1378.00 320.00 204.00 36.00 191.00 7633.00
uridine
2298.91 1193.00 1393.00 3971.00 3010.00 2644.00 2948.50 2312.00 2282.00 2920.00 2174.00 2106.00 2462.00 3654.00 3806.00 1014.00 2153.00 2465.50 1043.00 5500.00 4785.00 3944.00 4289.00 5064.33 4913.00 3417.00 341.00 6912.00 2293.00 1910.00 1697.00 1591.00 2937.00 975.00 36466.00 2635.00 1810.00
urocanic acid
1902.82 1317.00 318.00 455.00 153.00 361.00 275.50 153.00 377.00 132.00 206.00 145.00 306.50 1842.00 2463.00 1333.00 13594.00 4033.50 5755.50 1040.00 74.00 447.00 183.00 618.00 1241.00 220.00 145.00 1099.00 161.00 288.33 513.00 5827.00 2751.00 18405.00 237.00 4011.50 6273.00
valine
357720.18 246580.00 219060.00 269339.00 147100.00 263857.50 169052.00 362478.00 306491.00 548523.00 740363.00 269947.50 237026.00 283491.00 353289.00 444073.00 1066572.00 519789.50 704330.50 137682.00 197182.00 147960.00 88039.00 128676.33 354097.00 445323.00 685548.00 250982.00 175018.00 443941.67 509936.00 441539.00 359051.00 719801.00 247567.00 423731.00 486300.00
vanillic acid
1467.91 2796.00 1540.00 1619.00 1350.00 1369.50 1588.00 553.00 373.00 347.00 492.00 487.50 430.00 2143.00 1119.00 1170.00 1901.00 1640.00 1046.00 2906.00 1905.00 2047.00 2690.00 1232.00 1798.00 791.00 702.00 729.00 561.00 429.67 468.00 2112.00 1975.00 1938.00 84294.00 1039.00 1274.00
xanthine
13658.55 5435.00 9427.00 30783.00 4051.00 11979.00 9572.00 5508.00 4063.00 2664.00 2948.00 1405.00 1469.00 5378.00 47442.00 18220.00 84903.00 28133.50 35666.00 29434.00 2836.00 7935.00 7009.00 7021.67 20892.00 5168.00 2035.00 4619.00 937.00 2194.33 1687.00 21484.00 9133.00 27985.00 270.00 16108.00 81490.00
xylitol
3019.09 4717.00 4909.00 2270.00 4497.00 2224.50 3732.50 9221.00 6779.00 10247.00 10028.00 8537.00 8535.00 13041.00 9124.00 3108.00 2984.00 8189.00 2832.50 4402.00 2356.00 4666.00 4275.00 3525.00 3061.00 8148.00 1593.00 17058.00 4221.00 6116.00 9011.00 3605.00 7023.00 460.00 5394.00 6468.00 5510.00
xylonic acid isomer
732.55 1175.00 224.00 705.00 391.00 757.50 448.50 903.00 607.00 473.00 1309.00 687.50 607.50 1739.00 962.00 37.00 509.00 1748.00 293.00 511.00 725.00 553.00 464.00 2011.67 829.00 883.00 820.00 2151.00 612.00 760.33 1185.00 510.00 1599.00 347.00 1804.00 750.00 930.00
xylose
443198.64 1085521.00 683579.00 1854313.00 1350513.00 1008780.50 1369799.50 46771.00 23376.00 65833.00 45938.00 69151.50 23946.50 2387919.00 2553641.00 1811869.00 588849.00 1457343.50 450622.00 2219742.00 1441170.00 1955985.00 1879690.00 1094751.67 1916610.00 49648.00 41080.00 109133.00 54551.00 111871.67 646240.00 783130.00 1492483.00 53397.00 190118.00 655643.50 1178677.00
xylulose NIST
3950.27 11599.00 3134.00 15613.00 5950.00 5550.50 10112.00 1731.00 5797.00 2423.00 1626.00 2668.50 4662.50 116249.00 72157.00 41523.00 8131.00 24453.50 8319.00 17594.00 10539.00 15729.00 7406.00 5494.00 17886.00 2095.00 1446.00 3033.00 3799.00 1980.00 1358.00 15676.00 20370.00 381.00 2949.00 42260.50 17514.00

Factors:

F1Group:NA | Timepoint:NA | Gender:NA | Age at start of study:-
F2Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:3
F3Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:6
F4Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:7
F5Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:8
F6Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5
F7Group:Placebo | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:6
F8Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:3
F9Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:6
F10Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:7
F11Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:8
F12Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5
F13Group:Placebo | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:6
F14Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:3
F15Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:6
F16Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:7
F17Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:8
F18Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:5
F19Group:Placebo | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:6
F20Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:3
F21Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:6
F22Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Female spayed | Age at start of study:8
F23Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:3
F24Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:5
F25Group:Synbiotic | Timepoint:Baseline (days 5-7) | Gender:Male castrated | Age at start of study:6
F26Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:3
F27Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:6
F28Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Female spayed | Age at start of study:8
F29Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:3
F30Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:5
F31Group:Synbiotic | Timepoint:Completion of treatment (days 26-28) | Gender:Male castrated | Age at start of study:6
F32Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:3
F33Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:6
F34Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Female spayed | Age at start of study:8
F35Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:3
F36Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:5
F37Group:Synbiotic | Timepoint:Recovery (days 631-633) | Gender:Male castrated | Age at start of study:6
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