Data for ST003788   

(Analysis AN006443): Average values per metabolite and experimental factor (Units:Abundances)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32F33F34F35F36F37F38F39F40F41F42F43F44F45F46F47F48F49F50F51F52F53F54F55F56F57F58F59F60F61
1-Methyladenosine
104879.00 75444.00 78077.50 46080.00 49614.33 34657.91 66776.79 78933.92 77130.00 65794.00 39840.00 56345.67 18926.00 54744.00 45287.50 66318.50 73049.50 45533.67 40587.00 31350.75 34385.60 63107.64 69089.83 46782.60 60811.00 48002.57 54543.60 21467.33 55524.50 47695.69 47734.64 53340.00 62802.00 77323.00 56729.00 58348.44 68861.44 59433.00 76294.00 43902.50 48835.00 62306.10 59579.08 70703.00 56358.50 44448.00 44622.50 42285.00 46057.00 58342.35 64438.96 74329.50 59786.50 70014.67 46445.67 28971.00 57123.28 58868.09 41081.00 52409.10 48039.85
1-Methylguanine
7934.50 10035.00 9236.00 4213.80 3976.67 2913.00 6948.50 9224.33 9156.00 3421.00 4807.33 1930.33 914.00 4574.00 3233.33 3851.50 4899.00 6964.00 2542.00 2646.00 2067.60 6775.14 8995.73 6290.00 2002.00 3127.43 10313.40 996.00 5707.50 3042.62 4066.07 1453.00 2585.00 6352.00 4865.00 7099.21 7690.28 10876.00 3052.00 3391.50 4937.00 7098.27 5694.85 5454.00 6205.75 7369.00 3890.50 3648.50 4133.00 7485.50 7007.67 7781.00 4494.50 6677.67 4873.33 2114.00 6864.01 6904.62 4561.00 6590.80 3924.37
1-Methylguanosine
69100.00 97715.00 83599.50 31560.00 31988.33 23310.64 64088.51 81463.25 79029.50 30117.00 43234.33 16119.67 7897.00 42698.00 27326.17 33575.00 39849.00 64539.33 20385.00 22182.50 19492.80 60463.56 83301.00 52564.40 17336.00 28109.57 88887.60 7691.00 46188.50 27690.38 37852.14 13108.00 25723.00 57104.00 37784.00 62025.66 64352.28 98188.00 29225.00 31076.00 41231.00 63540.70 51658.08 54227.00 52926.50 57453.00 34804.33 32480.00 32001.00 63558.13 58645.67 62554.50 40650.75 55554.00 38768.00 19581.00 61638.89 62712.62 38862.00 59530.83 33643.85
1-Methylhistamine
830.50 542.00 1138.50 540.67 66.00 190.33 417.23 654.80 162.50 17.00 39.50 177.00 - 625.00 69.00 778.50 273.50 532.00 230.00 150.33 212.00 528.66 512.03 75.00 357.00 114.33 258.60 65.00 205.50 307.36 306.15 743.00 143.00 713.00 9614.00 374.14 334.94 215.00 404.00 283.00 634.00 410.33 349.50 209.00 826.75 104.00 198.67 158.00 1221.00 439.89 509.00 461.50 529.50 311.67 371.67 7.00 436.11 459.00 88.50 986.23 384.41
1-Methyl nicotinamide
5752.00 30130.00 3988.50 3230.20 17082.33 3470.36 46328.25 60493.14 80026.00 44052.00 16950.67 26173.33 7936.00 36798.00 25504.00 7556.00 75623.50 26001.67 9311.00 16395.75 18061.50 47645.01 76346.85 51327.00 22689.00 24210.43 13234.20 7263.00 30119.00 31235.69 24434.36 2213.00 16099.00 9896.00 41969.00 64034.24 49128.78 53031.00 76842.00 50165.00 1104.00 54557.77 33716.54 83371.00 2797.50 68900.00 4929.50 6338.50 43263.00 59415.49 85702.70 144129.50 26894.75 65557.50 39467.00 4770.00 58282.15 61105.87 22860.50 8639.60 37360.22
21-Deoxycortisol
4754.00 1358.00 3324.00 428.75 984.67 223.50 1715.28 2265.03 1292.50 789.00 257.00 396.00 103.00 109.00 897.00 1141.50 7189.50 1243.00 1118.00 782.00 422.29 1803.42 3776.80 1002.00 - 1073.80 507.00 - 1255.50 1157.00 1216.82 306.00 699.00 1388.00 - 1155.00 1082.25 - 1022.00 179.00 - 1779.73 921.18 1700.00 3418.50 - 1729.33 1361.00 - 1143.85 1026.29 50.00 1145.00 1178.80 3404.50 58.00 1385.45 1787.91 1447.00 2790.04 923.38
2-Methylguanosine
30101.00 42566.00 36417.50 13748.00 13934.67 10154.27 27917.89 35486.50 34426.50 13119.00 18833.67 7022.00 3440.00 18600.00 11903.67 14625.50 17358.50 28114.00 8880.00 9662.75 8491.30 26338.82 36287.17 22897.80 7552.00 12245.00 38720.80 3350.33 20120.00 12062.46 16489.00 5710.00 20599.00 23628.00 5163.00 31339.20 30631.00 132207.00 8114.00 9365.50 6319.00 27925.00 11789.62 116445.00 7900.50 8350.00 8032.33 7384.50 39809.00 22420.42 27230.67 37141.00 16923.75 26634.67 8804.67 5296.00 19589.25 19957.33 7170.50 8660.93 15248.74
2^-O-Methyladenosine
656.00 1042.00 603.00 7336.40 4109.33 3388.45 5726.06 7453.81 6327.00 6294.00 1224.67 2966.67 2413.00 1083.00 3982.83 6151.50 1305.00 1504.00 3134.00 1514.25 2813.00 5931.28 7624.33 1839.00 3290.00 1542.29 1964.80 1026.00 1668.50 8894.92 6605.21 2970.00 12885.00 3076.00 6426.00 15423.42 17775.33 19724.00 7616.00 18046.00 7057.00 14827.63 13586.00 21315.00 6641.50 7391.00 2729.67 2670.00 11662.00 15533.79 20498.81 8823.50 6348.75 5334.50 8172.33 1656.00 11877.57 17866.73 13719.50 10245.93 15979.44
3-Dehydroxycarnitine
80249.50 405050.00 78729.00 17220.80 26274.67 20289.82 112897.78 170317.25 50303.50 45239.00 51436.33 48523.67 18795.00 64900.00 42698.00 45493.50 71929.50 73042.67 23843.00 22653.00 26957.60 125146.78 176483.27 72627.40 31126.00 39931.71 52673.20 15408.00 22036.00 54736.15 88864.71 22183.00 44464.00 42318.00 37815.00 66839.44 68084.06 45003.00 25248.00 26561.50 13050.00 72943.60 73347.54 50808.00 33243.50 46359.00 19580.50 25952.00 30730.00 78875.28 71989.00 135470.50 79937.25 29851.33 24989.33 9955.00 110881.20 127939.16 53394.00 74815.07 54572.11
3-Hydroxyanthranilic acid
5354.50 5843.00 4897.50 92.20 119.00 220.73 6439.41 13137.56 8547.00 1556.00 374.67 545.00 178.00 2898.00 1699.80 371.50 608.00 929.33 192.00 217.50 318.30 7338.35 11001.55 3303.20 1619.00 798.71 2126.80 91.67 220.00 2991.92 3452.36 530.00 6402.00 3613.00 685.00 2710.51 2639.67 904.00 1327.00 272.00 297.00 1082.16 1111.09 210.00 4910.50 64.00 232.00 239.00 80.00 3408.70 1929.73 4233.00 532.75 2345.33 649.33 300.00 1778.02 2231.41 246.50 2930.60 280.88
3-hydroxynorvaline
1404.00 820.00 519.00 1495.80 1260.67 1325.00 744.86 905.67 832.50 350.00 926.33 1365.00 399.00 860.00 871.50 2988.50 1088.00 1101.67 1749.00 1122.75 1045.30 760.33 717.10 674.80 573.00 1044.43 932.80 899.33 1559.50 738.15 995.86 752.00 1870.00 622.00 1082.00 1043.69 802.56 1010.00 668.00 1162.00 2161.00 1057.13 1077.08 679.00 903.00 1024.00 2041.33 1771.50 3030.00 1067.59 985.81 941.50 1120.25 1216.33 1428.67 653.00 1043.43 875.16 825.50 1543.63 1516.22
3-Methylhistidine
72523.50 90328.00 39723.50 18974.40 18792.33 17403.18 37861.44 105744.56 29924.50 21136.00 26145.33 51620.00 11554.00 24899.00 30551.83 43822.50 73901.00 38618.67 9136.00 15701.75 16640.80 45905.51 75781.99 60364.80 13525.00 20630.71 27690.20 10064.00 28881.00 20272.00 34418.57 18792.00 26142.00 46039.00 20086.00 34364.69 36580.72 71164.00 13403.00 10760.50 13162.00 34837.50 43539.54 42984.00 26292.75 32172.00 18851.17 69955.00 21265.00 40684.21 45647.15 51162.00 32179.25 26381.67 22601.33 11563.00 45653.70 59137.29 36968.00 60324.73 23318.85
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
10092.00 6672.00 16433.00 841.50 6323.67 1209.57 34464.75 51745.65 25.00 3603.00 868.33 46425.00 - 30948.00 3471.83 - 66818.50 18638.00 186.00 220.00 2631.50 31793.64 86712.91 100794.00 - 5031.60 35336.00 - 31998.00 13305.40 9406.00 4259.00 22986.00 30683.00 - 34053.74 40512.06 276.00 551.00 1961.00 56419.00 34628.68 50930.82 83298.00 43918.75 3315.00 59484.50 15101.50 3868.00 30314.90 32911.25 21553.00 72106.25 7920.50 5561.67 5545.00 37492.77 34919.81 8641.00 29866.97 9073.50
4-Acetamidobutanoic acid
140335.00 101236.00 112780.00 29321.80 20889.33 33991.64 59797.14 116232.50 66410.50 72471.00 27071.67 120297.33 10518.00 42675.00 40830.00 48360.50 121172.00 48278.33 33882.00 30061.25 22926.90 70172.89 88397.52 61310.80 66178.00 48273.00 36486.40 14717.00 54052.00 48984.31 38460.00 34085.00 106428.00 44674.00 41531.00 69047.31 68880.06 95486.00 36809.00 55627.00 24924.00 83792.20 73770.54 67367.00 44319.00 42542.00 28247.50 37036.00 56560.00 67362.99 72677.89 99179.00 36960.50 60089.50 39620.67 12535.00 73001.45 76945.96 79457.50 75530.47 52642.44
4-Aminohippuric acid
1237.50 6056.00 180.50 110.00 226.67 612.89 3215.39 13109.83 1940.50 321.00 582.33 3591.33 17.00 484.00 475.50 160.00 1807.50 541.67 98.00 79.75 104.75 3872.94 10055.68 2942.20 - 125.57 520.25 238.00 282.50 407.64 1663.50 - 361.00 254.00 10.00 1853.70 1787.82 507.00 - 31.00 32.00 2458.31 1312.55 1279.00 127.50 15.00 12.75 177.00 22.00 1379.63 1505.37 2054.00 1227.00 381.00 130.50 - 2267.85 3400.48 1760.00 576.60 722.80
4-Hydroxy-3-methylacetophenone
397.50 42.00 338.50 198.00 223.67 292.82 361.57 397.20 309.50 497.00 479.00 177.00 18.00 334.00 316.33 205.00 176.50 391.00 418.00 233.50 365.11 364.50 467.97 261.20 79.00 214.29 334.60 184.00 211.00 250.54 302.69 382.00 97.00 269.00 200.00 345.92 299.22 357.00 54.00 81.00 175.00 286.97 389.69 139.00 191.75 189.00 138.17 222.00 188.00 397.02 252.96 374.00 321.25 216.33 386.33 190.00 389.12 465.36 302.50 313.00 1037.52
4-Pyridoxic acid
452.50 1302.00 1556.50 652.50 17.00 1071.50 9567.09 8178.57 294.00 - 319.50 3581.50 - 97.00 139.80 222.00 70.00 520.00 - 9.50 38.50 5578.84 7455.50 94.40 23.00 86.75 268.33 - 34.00 1689.22 2036.67 152.00 90.00 8582.00 930.00 5909.70 2672.50 215.00 - 814.50 - 12074.40 1611.83 - 31.00 651.00 702.50 81.00 1129.00 5801.45 10224.65 5956.50 284.33 1412.50 1159.00 33.00 12832.42 5082.86 1797.00 3134.62 2535.42
5-(2-Hydroxyethyl)-4-methylthiazole
- - - - - - 71.14 138.50 - - 97.00 - - - - - - - - - 106.00 1427.25 348.17 - - - - 6356.00 - - 18.00 - - - - 383.48 42.60 135.00 - 192.00 832.00 54.91 130.83 - 4126.00 767.00 16.00 7.00 2334.00 551.54 135.59 897.00 22.00 22.75 27.00 - 669.18 971.54 621.00 55.31 123.33
5,6 dihydrouridine
163460.50 158579.00 121596.50 140103.00 135734.67 147009.18 142076.43 302822.86 133126.00 115321.00 160347.00 437571.67 93328.00 181115.00 203290.67 274750.00 297451.50 141500.00 90381.00 156835.75 131686.00 131115.50 215808.65 149420.80 60943.00 139280.71 204337.20 64287.00 178913.00 108336.15 139748.71 98728.00 143947.00 189079.00 99222.00 125481.41 143631.33 130156.00 106711.00 106701.00 133152.00 140283.00 154630.69 137734.00 98275.25 140212.00 111330.67 250016.00 138649.00 130783.57 164043.93 104128.50 119287.00 174349.17 128311.00 119128.00 142473.54 150524.76 113017.00 135119.93 148512.56
5-Acetylamino-6-amino-3-methyluracil
- 622.00 - 307.00 - 4527.33 1549.33 853.08 163.00 - 443.50 212.00 - 46.00 1766.00 1802.50 1130.00 4549.00 - - 20.00 1621.91 916.74 775.00 - 805.00 4393.00 389.00 - 1115.00 257.17 - 15.00 309.00 - 2774.55 1787.25 - - - - 23960.12 2299.17 771.00 1636.67 146.00 2730.00 - 5457.00 2688.74 2140.60 6746.50 878.67 4193.67 2020.00 - 3793.56 1423.14 - 3910.91 1003.38
5-Hydroxymethyl-4-methyluracil
549770.50 575193.00 467838.50 446462.40 399413.67 510796.64 468857.43 1167477.26 419438.50 193805.00 491242.33 1316524.67 343117.00 517008.00 683451.00 907980.50 949639.00 511634.00 315424.00 493742.75 439178.40 419765.33 728741.48 479346.40 168080.00 470917.29 663278.80 210650.67 600762.00 329367.46 479746.71 162289.00 437778.00 554077.00 349006.00 408623.17 495090.17 455761.00 330381.00 339733.50 473216.00 452058.40 499546.77 474150.00 317686.00 454984.00 377433.00 823276.50 495016.00 437399.55 564266.74 352525.00 386173.00 510480.00 427425.33 387495.00 444183.55 478481.20 339131.50 537171.30 514504.74
5-Hydroxy-tryptophan
26406.50 5855.00 9660.50 140.33 901.67 431.86 7314.21 10232.43 8206.50 6719.00 2825.33 3476.67 423.00 4512.00 3091.50 1411.50 2957.50 4124.00 - 890.00 597.89 8104.39 10334.41 8109.20 3499.00 3083.29 3968.20 273.00 1224.00 3646.38 4873.36 1530.00 12020.00 4107.00 3833.00 9419.50 6243.56 9249.00 4645.00 2037.00 1909.00 5588.10 4540.46 6060.00 4880.00 944.00 6244.00 1077.00 42.00 9385.03 6839.67 4140.50 3115.50 7049.00 3998.00 1789.00 5449.18 6054.31 4811.50 8769.00 2972.85
5-Methylcytidine
4786.50 86.00 7053.50 7745.20 15859.00 7996.82 15808.72 17595.42 16898.00 17171.00 16264.33 8728.67 9073.00 33704.00 13001.67 11931.50 15666.00 16570.67 6427.00 13955.00 9380.30 16003.01 16335.78 20406.60 15961.00 16593.43 23868.40 5588.33 20457.50 17499.77 17923.57 12069.00 13262.00 15757.00 13204.00 15937.37 14833.82 53636.00 17146.00 8627.50 13632.00 14531.95 16145.00 - 10548.00 12866.00 8764.33 13207.00 12375.00 16859.28 21055.27 18408.00 15293.50 20801.50 15759.00 9704.00 13091.46 9229.32 7709.00 6883.83 10243.68
5^-Methylthioadenosine
2593464.50 1297714.00 759830.00 2007184.20 1094080.00 1880168.91 1214518.67 1660868.20 1918895.50 995058.00 978305.33 1035355.33 551562.00 1159937.00 863253.33 2676309.50 1801436.50 750115.33 3272457.00 1214620.00 1191718.90 1365732.26 1273060.06 1592826.20 1208609.00 1211418.43 1088037.80 534698.33 1315332.00 1388300.92 1732301.43 1024531.00 2649191.00 1073767.00 1429702.00 1748395.87 2078487.17 1244930.00 2780233.00 1616881.50 1743316.00 1776338.83 1509540.46 1579779.00 1389249.25 1297914.00 1944640.83 1203284.00 1904590.00 1906446.24 1886591.89 1634010.00 1957887.75 2892571.50 1530247.00 1422696.00 1540868.30 1731923.69 1320088.00 1318064.67 1514347.52
7-Methylguanine
97912.00 78211.00 80907.50 34912.60 46064.67 36808.55 72709.32 94988.33 71638.00 59034.00 53914.00 47850.00 27501.00 60563.00 63439.00 72797.50 114580.00 72429.67 46399.00 42891.50 41661.00 73459.76 87204.32 68547.60 38575.00 26219.86 65350.60 22222.67 75168.50 47501.69 58570.71 42581.00 46077.00 75471.00 57616.00 64093.81 68555.89 86165.00 25087.00 33270.00 48203.00 66270.50 70720.69 101391.00 48759.25 51959.00 45886.00 46000.50 37613.00 62989.92 65599.48 70758.00 43332.75 54953.00 43132.67 31036.00 64580.94 69963.04 49243.50 70039.87 30462.44
Acetaminophen
454953.00 31664.00 433479.50 10745.20 890060.67 62706.55 265439.01 145903.72 1659.00 57411.00 267866.67 145272.67 1066.00 280011.00 266125.17 2485.00 772396.00 108112.33 187700.00 20771.25 131609.90 174120.80 198820.83 111123.80 1031.00 231650.14 73439.00 1052.00 433676.00 294967.46 209957.07 181039.00 94305.00 1280290.00 10502.00 504803.92 406106.83 2217.00 35045.00 44157.00 2633694.00 546909.43 293615.46 963653.00 515013.75 215062.00 332257.67 186017.50 810551.00 480306.44 441656.70 585823.00 424340.75 327231.17 513298.67 2091843.00 423520.76 259719.93 376117.50 424628.53 332777.93
Acetylcholine
924.00 209.00 313.00 542.60 173.67 613.55 1363.07 4145.03 991.00 1062.00 1318.67 1877.33 278.00 219.00 630.17 555.00 2789.50 1776.33 221.00 211.25 458.70 1080.38 1268.04 886.60 220.00 617.71 302.40 236.00 264.50 355.31 1074.43 442.00 406.00 556.00 615.00 1385.60 2253.11 1793.00 364.00 532.50 946.00 1966.00 1656.31 1448.00 480.50 264.00 405.00 798.50 1222.00 1473.48 1841.30 770.00 325.75 801.83 354.00 254.00 2028.08 2697.64 1282.50 1553.17 1407.59
Acisoga
965004.00 1187237.00 336594.00 626447.20 829638.67 545177.09 485757.77 1388253.97 556999.50 185970.00 305335.00 1079929.00 346243.00 529536.00 440432.17 1729482.00 1639135.00 539644.33 123310.00 854120.25 675110.20 453516.46 912312.58 638197.20 74221.00 592278.86 366268.20 217751.67 2691325.50 260724.46 677280.07 446740.00 396369.00 741914.00 210835.00 407366.67 489532.72 611201.00 250016.00 159481.50 587003.00 442987.80 552165.15 534540.00 368800.50 240129.00 469547.50 1049353.00 163744.00 442478.51 593910.93 264572.50 293581.50 545863.17 471105.67 452117.00 514131.79 723495.27 712407.00 660972.97 546517.30
Adenosine
3544.00 4039.00 30167.50 7639.00 10443.00 5671.73 4948.14 4714.11 2125.00 2934.00 7844.33 17235.33 2951.00 4825.00 5693.00 9558.50 17922.50 17624.00 3965.00 12190.50 13338.80 5771.59 6120.19 4491.60 1203.00 22098.71 6921.00 3997.33 6357.50 4181.85 16046.36 4731.00 2034.00 2564.00 29104.00 15678.94 12863.83 27170.00 9554.00 12081.50 5825.00 24889.53 12015.23 20681.00 52518.00 118484.00 9412.50 7552.00 6785.00 19028.69 19995.85 6225.00 31204.75 7514.33 28962.00 5330.00 18424.06 20431.42 23707.50 35040.63 15238.37
AICA-riboside
29416.50 5885.00 13908.00 30707.40 66109.67 28923.82 45249.45 27048.94 23872.50 2458.00 14467.33 6572.00 10028.00 17094.00 21087.17 75973.00 22870.50 12930.67 23055.00 30182.50 19786.60 25257.51 17427.63 7194.00 878.00 17591.71 18324.60 12372.33 69977.00 28650.31 45125.93 18469.00 6399.00 23985.00 7819.00 25400.95 26213.11 27225.00 8047.00 12171.00 88857.00 23976.63 20812.77 13540.00 62781.25 8614.00 39609.83 43318.00 28378.00 24142.38 30464.41 20443.00 36336.75 30086.50 25264.00 18925.00 21297.23 15669.31 13980.50 22885.80 22762.11
Ala-Ala
391.50 194.00 37.00 2746.60 166.33 245.44 298.14 273.00 440.00 - 94.50 77.33 - 953.00 103.80 80.00 153.50 249.00 108.00 74.25 55.00 283.57 320.85 613.40 - 183.29 666.80 67.00 96.00 243.40 179.38 120.00 127.00 - 355.00 285.33 165.70 131.00 - 70.00 84.00 171.28 170.38 - 303.00 - 43.00 58.00 608.00 256.15 207.20 113.50 37.00 152.50 183.50 25.00 183.21 287.12 79.00 407.95 86.38
Ala-Lys
3296.00 3665.00 960.50 362.80 501.33 483.00 700.07 809.11 460.00 29.00 209.00 243.50 83.00 293.00 181.17 348.50 423.00 375.67 341.00 171.25 174.80 958.95 1134.97 1006.00 92.00 438.14 305.80 160.00 272.00 443.46 518.50 11.00 402.00 74.00 156.00 473.55 269.22 427.00 76.00 241.00 351.00 382.37 212.23 92.00 271.50 57.00 266.67 170.50 582.00 454.61 336.07 456.00 390.25 234.17 338.00 347.00 360.70 461.80 241.50 24628.37 393.46
Alanine
61207.00 112650.00 28611.50 6878.40 7100.33 7894.82 39882.46 43382.42 26494.00 15372.00 17375.67 4482.00 2708.00 33420.00 13357.00 15815.50 16199.00 42709.33 7000.00 8614.00 7445.30 45064.57 58712.68 38875.00 8214.00 10468.86 25749.20 4929.00 9482.00 22197.46 23277.71 10453.00 23605.00 18817.00 30641.00 43384.17 46095.72 63631.00 12200.00 17323.00 8394.00 39336.93 33863.23 26412.00 22055.75 51959.00 11501.50 8297.50 20146.00 45935.52 45699.93 64267.50 28335.75 13878.83 18807.33 5669.00 48335.65 50506.42 30492.00 52590.90 14750.85
Ala-Thr
3185.50 8887.00 1404.00 1189.20 1411.67 1045.60 1667.25 2569.58 1526.50 1292.00 3796.00 986.33 375.00 919.00 1019.00 1999.50 1316.50 1641.67 768.00 1031.00 947.50 2374.44 2567.01 2497.00 725.00 3244.86 1324.60 543.33 761.00 1369.38 1955.50 159.00 6944.00 627.00 3605.00 3323.87 3527.33 7298.00 3332.00 2940.00 1517.00 4867.40 5536.69 5576.00 1149.50 4158.00 1510.00 1042.50 3691.00 3622.70 3489.37 2996.50 2272.00 3245.50 3909.00 522.00 5536.09 6234.60 4740.50 4445.80 3431.54
Allantoin
20939.00 98879.00 8372.50 2309.00 2137.67 5757.82 17330.88 37564.89 29954.50 2771.00 10667.67 9850.00 1672.00 10651.00 5902.00 7930.00 11893.50 66275.33 999.00 2727.00 2223.00 15998.05 27816.48 18781.60 1612.00 9209.29 9079.00 621.33 5846.50 7939.38 8614.36 5631.00 36754.00 7075.00 4915.00 17345.49 25398.11 11584.00 5726.00 9179.00 1720.00 22632.83 15299.69 8133.00 4659.25 21182.00 4072.50 16147.50 11680.00 17825.20 29297.93 29319.50 9592.25 13812.17 14415.00 1996.00 22471.66 28280.24 9561.50 18164.93 12460.70
alpha-N-Phenylacetylglutamine
427655.00 2946830.00 669288.00 108765.80 141621.67 579575.73 1774929.39 3984737.89 1546561.50 535086.00 1166072.33 3117570.00 396991.00 333153.00 487161.33 148650.00 1100363.00 793703.00 75693.00 228513.50 149967.80 1715801.30 2780844.46 676077.80 349736.00 767795.86 117161.20 63961.67 232407.00 525597.46 1124744.93 473211.00 615748.00 300584.00 174898.00 901391.82 1142450.89 173011.00 146919.00 82345.00 99852.00 1073882.93 984458.08 593170.00 135697.25 191803.00 67863.50 172820.50 256681.00 857765.58 1127664.15 1607787.00 97870.00 172622.83 84122.00 31804.00 1152752.03 1644522.16 609521.50 394721.67 321138.93
anthranilic acid
1305001.50 610492.00 914053.50 45166.40 126109.67 77436.45 872582.36 1181213.39 411075.50 135763.00 177472.67 150528.00 83785.00 230608.00 200537.17 303710.00 424791.00 554398.33 77659.00 436966.25 168255.10 782866.49 1236358.75 371801.60 160759.00 213969.71 227608.80 17606.33 175124.50 228857.85 499094.93 102366.00 360305.00 348820.00 142098.00 544314.14 413128.56 231452.00 242117.00 368747.00 80525.00 372194.30 338296.92 412938.00 455146.00 76002.00 111203.50 154101.50 56293.00 474453.30 493554.37 502857.50 197246.50 348918.67 192669.33 59778.00 631089.45 621948.93 170397.00 1006929.73 194002.85
Arachidonoyl-EA
544.00 7668.00 1277.00 1110.20 934.33 1282.80 1611.53 1438.24 1006.50 582.00 369.67 2296.00 1877.00 669.00 506.67 1356.50 1504.00 2306.00 609.00 1333.00 1280.89 1580.20 1720.55 1170.80 742.00 858.00 839.60 1285.00 755.00 1464.31 2371.43 555.00 861.00 376.00 234.00 2058.52 4990.65 3547.00 997.00 4103.00 2882.00 1499.29 4949.92 926.00 1038.50 2965.00 1834.50 120.00 498.00 3869.79 7767.58 1432.00 318.75 494.20 1172.00 232.00 4460.76 2570.13 1352.00 5349.28 2452.85
Arginine
1700119.50 4404162.00 629505.00 244519.20 175201.00 300433.45 1081512.17 1130298.81 911326.50 365080.00 482012.33 218331.33 134394.00 1047888.00 274659.17 456072.00 256478.50 567121.67 222212.00 237417.50 238496.00 1133796.27 1403981.82 788397.00 169679.00 275863.43 709657.60 188039.33 246006.50 487801.46 819518.64 223820.00 296503.00 279874.00 816003.00 891433.59 914440.61 803663.00 331992.00 325124.50 184928.00 856963.80 796920.23 545144.00 277725.25 807537.00 384711.17 229347.50 602430.00 957687.57 792202.00 1167457.00 686310.50 437427.17 401986.67 335125.00 1093686.94 1148489.47 918189.00 1191459.03 359763.15
Asparagine
84446.00 95034.00 51854.00 7138.60 13910.67 8593.55 61333.59 68133.47 53515.00 41181.00 33468.00 10885.33 7900.00 63225.00 28002.17 14410.00 20220.50 36491.00 9309.00 11315.75 11043.40 67512.96 78847.86 52147.20 19541.00 14605.14 40894.40 7977.67 15776.00 29097.08 34703.21 12984.00 32095.00 51664.00 38318.00 53536.83 54222.56 52400.00 20366.00 17407.00 17700.00 51507.13 43826.85 46444.00 23341.25 38201.00 11979.33 11767.00 15747.00 57243.61 43766.67 61817.50 30748.50 24700.33 21212.33 13566.00 55536.06 52966.62 39453.50 57744.67 16124.48
Aspartic acid
1121.00 28086.00 4300.00 73.67 110.00 66.50 623.12 984.04 406.50 135.00 168.00 - 19.00 - 466.00 38.00 533.00 243.00 37.00 - 89.80 568.28 974.80 241.00 - 78.60 250.33 9.00 - 153.00 246.27 218.00 - - - 1120.88 1017.23 4593.00 - 801.50 - 2369.00 1405.60 7541.00 5.00 2058.00 82.00 16.00 1137.00 1089.78 1321.19 782.00 887.00 34.00 1329.33 5.00 2668.81 2624.18 974.50 1832.53 1590.89
Atenolol
- - - - - - 29.00 - - - - - - - - - - - - - - 33.00 12.00 - - - - - - - - - - - - 57146.00 959.00 - - - - 56.00 - - - - - - - 10107.76 287343.43 - - - - - 195.14 116.50 - 361945.25 136.00
Benzoyl carnitine (putative)
606.00 366.00 811.00 281.60 701.33 413.18 1969.32 3484.81 2017.50 509.00 2296.00 3287.00 168.00 327.00 1511.33 507.50 963.00 1078.33 301.00 675.50 307.60 2486.41 2710.45 1727.80 285.00 1666.57 437.20 274.33 865.00 859.15 613.43 340.00 213.00 1892.00 29.00 651.99 657.50 917.00 - - 52.00 1470.18 1555.80 1125.00 1954.00 495.00 444.75 15.00 294.00 1029.15 1376.12 3637.50 204.50 585.40 108.33 19.00 1114.30 1428.43 47.00 1070.69 452.88
Betaine
2064045.50 4719241.00 4351311.50 671235.20 637015.33 692188.45 3826612.53 3944825.25 3239605.50 1934688.00 1741716.00 919199.67 780735.00 2926936.00 1258434.17 998708.50 1526045.00 2478647.00 729017.00 755281.50 819275.30 3627737.09 4279834.32 1803156.40 1140290.00 1058108.43 1742240.80 600931.67 744817.00 1758087.77 2191192.57 1129710.00 1166067.00 2110635.00 1585864.00 2370279.28 2796070.22 2173205.00 884753.00 975711.00 661387.00 2685108.80 2328245.46 3137912.00 1557400.50 1660304.00 761869.00 683440.50 945446.00 2597151.60 2029846.78 4477184.50 2092620.50 1238011.50 1008870.00 632214.00 3561420.78 3415836.38 1854789.50 2136079.43 1246879.11
Bilirubin
185504.50 423493.00 931974.00 21696.40 8860.33 7030.18 219435.70 162563.29 9816.50 70572.00 64348.00 5457.67 3758.00 102510.00 101792.40 72348.50 87055.00 175731.67 16076.00 15700.75 19176.40 309544.87 475751.11 48738.20 24255.00 14768.29 182589.60 3507.67 8176.00 46480.46 606200.62 49987.00 258805.00 159109.00 60867.00 149462.89 221401.33 93326.00 25029.00 388.00 25753.00 115893.18 205352.08 94003.00 181459.00 17350.00 60097.17 159369.50 372716.00 159235.28 143233.00 155390.50 95098.50 101931.67 7586.67 29855.00 170001.54 113499.27 61090.00 292697.31 19538.18
Biliverdin
103330.00 54737.00 139201.50 3616.00 7058.00 1333.38 63783.74 73812.03 28169.00 15043.00 13780.00 375.67 47.00 19646.00 17861.00 16780.50 17403.50 458672.67 4254.00 2434.33 3349.00 106666.84 113440.70 23533.40 6473.00 2789.57 44818.00 219.00 434.50 10231.31 75369.43 9225.00 56885.00 29005.00 11643.00 40900.73 62707.06 16359.00 3720.00 8527.00 2377.00 32553.13 50956.85 20510.00 31051.75 4745.00 10340.67 23813.50 155649.00 61068.05 44598.19 43075.00 25038.75 17822.83 6382.67 3238.00 52040.62 51484.77 12410.00 97290.69 8378.42
Biopterin
6262.00 595.00 2350.00 2415.75 8460.67 1136.80 3952.43 5118.39 9959.00 4730.00 5350.67 390.00 186.00 9319.00 2099.67 957.50 2184.00 640.67 69.00 2087.00 490.29 4969.31 3386.42 8539.40 2515.00 3026.67 16647.40 256.00 2617.00 4245.83 4103.92 1549.00 571.00 5192.00 495.00 4817.15 5133.33 90.00 3557.00 5.00 10767.00 1161.67 1186.20 - 10429.25 25.00 5723.20 2344.00 - 5108.86 2380.06 4375.50 5763.00 11026.17 160.00 5781.00 1041.65 605.12 39.00 1452.79 96.73
C16 Sphingosine
5619.00 7860.00 4807.00 11020.80 4937.33 8855.27 92231.59 12261.72 27222.50 9510.00 8805.67 42091.33 7328.00 17142.00 11344.50 4732.00 24608.00 9230.33 11414.00 4997.75 11902.40 23553.87 15944.85 10679.80 10552.00 8085.00 8324.00 7756.00 10588.00 15009.92 13649.29 10260.00 4863.00 4416.00 3317.00 37193.85 16909.33 3995.00 5150.00 712475.00 4182.00 4427.97 20882.23 7485.00 6304.75 3281.00 3389.83 4592.00 4038.00 35376.25 6165.37 4510.50 3443.00 87460.67 8119.67 4435.00 45045.12 21971.20 4206.00 6172.93 36392.63
C17 Sphinganine
6678070.50 7829854.00 7539957.00 8395018.80 8854436.00 7846216.73 7809106.50 7521078.25 6947010.00 8331684.00 8093780.33 9128482.67 9663158.00 6863968.00 8693463.33 6031135.50 7583116.50 7963857.67 6596388.00 7519047.25 8091082.00 7704990.95 7854398.20 7297203.20 10581977.00 7512997.00 7950033.00 9040212.67 7911772.50 8777911.15 7312315.57 8788466.00 7555720.00 6714996.00 8468139.00 7838193.57 7420707.28 6905945.00 8129008.00 7254882.50 6915775.00 6864266.57 7247110.00 7729711.00 14393936.50 7650610.00 6505291.83 7030549.00 6676085.00 7902001.72 7141249.44 8080344.50 7089671.00 11834321.17 8115582.33 6342557.00 7403513.76 8165932.13 7372703.50 7133284.43 7213934.85
C20 Sphinganine
30242.50 28090.00 51890.00 66839.80 103494.00 47159.64 148538.31 139730.17 228395.50 157454.00 184834.33 40161.33 47326.00 77171.00 39974.33 34582.50 70148.00 56757.33 39916.00 66224.50 67348.00 141690.59 140561.24 42523.60 72945.00 94699.43 84180.40 50700.67 53279.00 62412.85 52900.43 53935.00 32117.00 21163.00 27647.00 27518.64 26381.33 34633.00 28088.00 20286.50 24241.00 26809.60 27387.08 27801.00 26877.75 23797.00 28334.33 26181.50 27447.00 27674.83 25845.56 21541.00 26129.75 29449.00 25108.67 26581.00 26161.33 27248.69 25096.50 24363.70 27694.93
C20 Sphingosine
15575.00 64471.00 21596.00 34529.40 17728.33 29078.36 36437.64 37974.31 4857.50 49478.00 52415.00 38031.33 56716.00 43240.00 45933.83 4697.50 23501.50 31654.33 9534.00 30370.50 32855.00 33598.16 34003.30 42673.20 44988.00 32683.57 49761.00 7418.67 16932.00 23001.85 41531.64 53520.00 60301.00 47919.00 81235.00 39142.38 36040.50 1562.00 281518.00 102479.50 7497.00 24665.47 28088.69 80759.00 36604.00 88548.00 50434.33 95324.50 72454.00 45446.32 17915.41 2807.00 16140.00 46422.83 25792.33 3500.00 37116.92 41825.36 32230.00 18983.80 34424.74
C22 Sphingosine
5933.50 4807.00 15759.00 23304.80 18430.00 11113.27 64923.93 56199.89 68664.50 50445.00 45582.33 8684.33 12806.00 25412.00 11240.00 7329.50 22133.50 12546.00 9014.00 22848.00 17908.89 64398.96 55424.21 11410.20 21470.00 24546.00 21475.60 12959.00 14757.00 24154.46 15619.29 13741.00 3907.00 3940.00 2618.00 4035.95 4576.39 4859.00 2511.00 2741.00 2806.00 4169.83 4636.69 9149.00 2406.25 3112.00 4119.83 3866.50 2971.00 4761.23 4377.63 3714.50 3435.25 3650.67 2929.00 5544.00 4521.27 4305.29 3294.50 3275.67 3557.52
Caffeine
12277.00 272603.00 16169.50 99069.20 112982.00 68255.09 97289.12 56154.56 21983.00 9334.00 55900.33 63354.33 71943.00 8499.00 268510.67 73984.50 88327.50 19142.33 41231.00 85130.25 20660.10 70947.43 74005.06 27811.00 7845.00 204667.29 155772.20 92210.33 72710.50 64810.69 51915.57 16078.00 19516.00 102358.00 55841.00 66409.07 59863.94 58512.00 15515.00 37381.50 63784.00 276471.57 144814.92 78161.00 47890.25 61061.00 88198.17 41480.50 51020.00 83553.68 62080.89 65928.50 76145.50 92263.00 144265.00 71007.00 145056.50 195383.69 54001.50 152488.00 82626.52
CAR 10:0
14173.50 7804.00 12028.50 858.80 1532.67 960.00 33430.50 40199.97 11771.00 9023.00 8263.67 10118.67 1224.00 9236.00 7903.17 3423.00 6632.00 8409.33 1113.00 2120.25 1253.90 31581.21 57973.79 16128.80 7767.00 3255.57 8276.20 974.00 4346.50 6787.08 68252.00 1613.00 9445.00 9478.00 4290.00 14116.57 18868.28 8790.00 2041.00 1625.50 749.00 12998.93 12482.31 6466.00 2890.00 5363.00 888.50 2294.50 3149.00 13737.03 16957.81 26933.50 7755.50 3101.33 2828.67 663.00 24877.05 30880.11 6683.50 6061.57 15497.27
CAR 10:0;OH
6503.50 3464.00 6371.50 118.50 260.67 448.22 4267.35 14339.06 2086.00 2232.00 3980.00 3141.33 - 2307.00 1856.67 629.00 2894.00 5385.33 35.00 208.50 254.88 5112.98 9635.96 6086.60 677.00 1137.43 2775.80 261.00 457.50 1280.38 2514.85 793.00 2653.00 6172.00 935.00 2603.62 7298.94 1446.00 94.00 520.00 - 2207.50 2956.09 587.00 1197.67 2476.00 228.60 1124.00 185.00 2556.43 5104.23 4158.50 818.00 983.20 534.67 - 3286.57 3982.39 2231.00 2682.79 672.19
CAR 10:1
7760.00 4817.00 7393.00 244.50 334.00 234.80 15630.68 21712.78 4576.00 4795.00 4434.00 5883.00 412.00 3443.00 4194.83 1267.50 3165.00 4728.67 211.00 518.00 399.29 15313.82 27229.48 7070.60 1701.00 1667.43 4954.00 452.50 2330.50 2868.46 18296.21 589.00 5746.00 3947.00 1752.00 5856.37 7470.56 2938.00 742.00 709.50 280.00 6166.27 5608.00 3560.00 1382.50 2383.00 338.50 930.00 1319.00 5638.66 6596.70 12866.50 4077.50 1405.67 1174.67 160.00 9836.56 11453.31 3795.50 3265.47 4842.83
CAR 11:1
563.50 543.00 1354.00 - - - 4742.37 5948.40 903.00 421.00 568.50 23.00 - 128.00 2923.00 50.00 114.00 531.50 - - - 3500.16 6208.64 1621.75 - 123.50 1555.00 - - 564.67 7333.50 - 1595.00 537.00 279.00 3936.97 3551.33 3170.00 - 22.00 - 3179.17 3732.80 1081.00 882.00 499.00 28.00 408.00 70.00 4060.13 3361.26 7668.00 3507.00 956.67 65.00 - 7424.68 7744.36 7096.00 1353.00 5316.47
CAR 12:0
151.50 35.00 479.50 86.67 183.50 90.80 16366.54 8622.09 1874.50 2116.00 1438.67 990.67 14.00 2105.00 1269.40 151.00 225.00 346.50 27.00 282.33 110.75 14098.47 19948.69 2441.00 3857.00 137.33 2697.40 254.00 144.00 1300.90 62152.42 243.00 44.00 56.00 959.00 3307.79 5023.78 1391.00 102.00 163.00 - 2665.96 2178.36 421.00 526.00 370.00 30.00 643.00 181.00 4346.13 3876.64 6221.00 1583.33 344.00 482.00 - 10690.10 7713.50 620.00 598.54 6906.38
CAR 12:1
882.50 147.00 920.50 254.33 350.00 229.00 21922.66 17884.20 5263.50 3043.00 3483.67 2591.67 68.00 5311.00 4211.50 721.00 840.50 395.00 274.00 383.75 278.80 17589.59 29088.09 6061.20 1667.00 646.86 5684.75 634.00 679.50 2510.17 62025.00 122.00 1117.00 875.00 1419.00 5830.35 9324.29 3713.00 649.00 198.50 298.00 4290.57 4713.33 1140.00 350.33 726.00 234.67 807.00 642.00 6575.60 5916.41 10279.00 3096.75 905.80 747.33 - 12094.65 11259.50 2139.00 575.00 9099.45
CAR 13:0
- - 19.00 37.00 - 19.75 2552.62 1914.87 269.00 324.00 182.50 24.33 27.00 276.00 1658.00 - - 40.00 - 39.00 - 2242.65 3621.82 449.33 - 86.33 589.67 - - 188.71 17079.43 - 154.00 39.00 521.00 1487.76 2548.47 3072.00 - 31.00 - 1383.42 1337.09 309.00 95.00 193.00 66.00 465.00 68.00 2189.40 1354.08 1369.50 1324.50 525.00 12.00 - 5032.36 2594.39 1368.00 332.05 6100.36
CAR 14:0
40.00 41.00 681.00 68.50 35.00 27.67 11529.31 3983.12 451.00 891.00 584.00 148.50 - 521.00 280.50 - 76.00 - 51.00 70.33 16.00 11303.39 10673.92 601.75 2491.00 30.00 2563.33 - - 516.71 82241.67 - - - 422.00 1806.01 3127.00 227.00 - - - 1352.09 1057.44 - - - 22.00 461.00 46.00 3104.65 1382.91 1463.50 432.50 - 397.00 - 9826.93 5683.06 - 1996.29 6665.33
CAR 14:1
- 36.00 523.00 113.50 431.00 75.00 22139.54 9424.62 2542.00 2023.00 2432.00 1848.50 - 2376.00 1204.00 - 53.00 24.00 - 273.00 77.00 19569.18 22881.80 1965.40 3589.00 64.67 4777.50 19.00 - 1970.71 148313.75 - - - 1462.00 3615.42 5519.65 947.00 49.00 30.00 - 3198.28 2290.09 30.00 131.00 76.00 24.00 1166.00 243.00 5406.44 4013.52 3320.00 1634.33 170.00 499.00 - 14337.99 7530.97 220.00 693.40 16684.30
CAR 14:2
- - 33.00 109.00 17.00 40.33 8511.93 3711.90 1191.00 762.00 1051.50 1025.50 - 1222.00 697.50 42.00 100.00 13.00 - 74.67 15.00 6840.81 9508.75 928.20 634.00 45.00 1845.25 - 111.00 666.71 45848.50 - 38.00 - 502.00 1380.70 1935.44 158.00 - - - 1545.85 1332.88 104.00 - 29.00 29.00 480.00 144.00 2096.20 1940.21 1689.00 1231.50 222.00 290.00 - 5416.49 3196.76 97.50 195.70 9745.29
CAR 16:0
335.00 - 2265.00 330.00 - 112.00 18619.81 5805.85 1063.00 2088.00 746.00 - - 832.00 688.67 - - - - 73.00 208.50 21098.39 16590.37 1471.33 6637.00 - 6744.00 - - 1345.33 143548.33 - - - 423.00 3394.61 4668.73 252.00 - 110.00 - 4079.54 3127.75 - - - - 3035.00 716.00 6051.32 2185.19 2102.00 1368.00 91.50 1184.50 - 16039.19 8210.22 146.00 8695.84 10280.56
CAR 18:0
38.00 80.00 272.50 321.00 - - 7424.51 2626.18 444.00 612.00 285.00 - 537.00 38.00 157.50 - - - - 23.00 - 8888.65 6035.58 1341.00 2341.00 - 2761.50 - - 345.60 58634.80 - - - 32.00 1249.40 2837.67 138.00 - - - 1341.23 749.50 - - - - 432.00 135.00 2673.69 945.19 657.50 152.00 - 203.50 - 7562.52 2430.15 74.00 2312.72 2688.57
CAR 18:1
81.00 - 720.50 53.00 269.00 - 14116.45 5393.22 638.50 1029.00 549.00 - - 248.00 985.50 - - - - - 91.00 14421.40 12176.93 941.67 3258.00 - 11380.00 - - 1448.60 235288.67 - - - 397.00 2374.16 2478.00 250.00 - 35.00 - 3734.61 1447.22 - - - - 3975.00 618.00 3538.34 1830.40 1000.50 1426.67 83.00 624.00 - 11274.36 4391.63 166.50 3747.26 31451.17
CAR 18:2
- - - - - - 12907.27 2354.36 - - - - - - 239.00 - - - - - - 13713.81 5665.38 42.00 420.00 - 2331.00 - - 173.00 315320.00 - - - - 851.54 1535.00 - - - - 1097.53 456.00 - - - - 1387.00 31.00 2110.47 1254.40 - 712.00 - 31.50 - 5871.04 1642.38 - 595.54 11283.50
CAR 2:0
9012009.00 7817749.00 9960566.50 472827.20 1035040.67 488005.45 7543214.05 11373369.58 4855007.50 4472507.00 5027952.33 5693318.33 1211820.00 4586759.00 2787331.83 1521270.00 4585292.00 5000347.33 480002.00 1110603.75 611937.40 7401636.00 9806821.96 4749038.40 2463451.00 1953516.29 2680880.20 415653.67 1623846.50 2273484.38 4066906.29 1126434.00 2912191.00 6503974.00 2009494.00 3486308.10 4817437.50 3110106.00 1541336.00 292438.00 423487.00 3026508.40 3234242.46 4194825.00 2324530.75 3191573.00 716698.50 837354.50 554195.00 3758854.43 3705903.78 5512989.00 3246733.25 2480585.50 852731.33 375712.00 4110909.79 4860565.42 1780922.00 2931465.83 549952.81
CAR 3:0
786066.50 1046278.00 784120.00 36777.00 86023.00 34442.45 775746.20 1250182.64 439202.00 316982.00 437264.67 250091.67 47107.00 222945.00 223300.67 171567.50 419628.50 512097.00 39139.00 85676.00 55389.00 975858.77 1446702.97 713807.40 235870.00 147609.57 222062.60 32719.33 207877.00 269809.92 718597.21 116582.00 265570.00 343189.00 307784.00 451826.63 537156.56 584225.00 206107.00 46946.50 39844.00 399687.83 341976.77 533854.00 228819.25 393390.00 51901.67 46311.00 65788.00 550565.33 494844.89 2458833.00 266976.25 245367.33 176334.33 30620.00 628891.57 748625.89 434015.00 336405.17 144077.48
CAR 4:0
475134.00 936870.00 591362.00 40152.40 119237.33 42075.73 524853.06 995799.64 578546.50 186649.00 302785.33 250578.67 100987.00 202071.00 183589.00 243168.50 293118.50 302510.00 47927.00 132429.00 98598.00 670662.90 1083792.04 521037.00 232370.00 155098.43 184779.40 63628.00 291220.00 215320.31 512100.86 85187.00 445914.00 247903.00 254304.00 431711.53 502717.78 572599.00 178042.00 45347.50 43562.00 365177.50 339972.92 309447.00 198455.00 376910.00 59666.50 178809.00 78245.00 483581.91 530503.85 530385.50 199902.00 266204.00 166658.00 57008.00 538821.22 681248.20 472883.50 252054.37 159113.85
CAR 4:0;OH
67554.50 30575.00 101721.00 1744.60 8440.67 4248.00 61325.72 90624.78 53077.00 13674.00 30401.67 76578.00 7929.00 56035.00 17795.00 8201.00 39411.50 39961.00 2467.00 16231.25 4057.30 44586.74 58582.13 21269.80 9285.00 12735.43 11315.20 3985.00 13067.50 8419.31 24856.21 3413.00 15146.00 82975.00 5059.00 13472.80 34354.28 11227.00 11888.00 623.00 572.00 11243.07 18559.62 13294.00 7065.00 9479.00 2367.67 2356.00 641.00 13126.42 24549.04 19182.00 7475.00 10496.83 3798.67 1199.00 17512.59 18689.73 5243.50 20241.17 5450.96
CAR 5:0
395182.00 578209.00 499276.50 16044.80 47139.00 20646.09 395352.59 615502.19 327190.00 117358.00 169765.33 133884.33 22090.00 146626.00 107354.33 131755.50 158933.50 317645.33 23045.00 47736.25 39594.50 503989.44 751472.90 468969.40 144031.00 71788.43 108255.00 20769.67 120617.00 137194.38 282393.64 45835.00 171792.00 169976.00 178428.00 346108.71 339089.94 431195.00 115690.00 1321442.50 20195.00 799433.93 1154666.38 232360.00 117004.75 261499.00 36795.50 30361.50 45218.00 354791.51 843027.22 603598.50 103609.75 127040.00 83208.67 19493.00 1140535.35 522255.00 282157.00 258088.33 78520.74
CAR 5:0;OH
15964.00 69398.00 22349.50 4538.80 15665.33 5615.45 26394.25 39733.19 55082.50 18377.00 21995.33 28015.00 6647.00 5333.00 14234.50 14533.50 17080.50 16961.33 5620.00 13151.75 10156.90 34151.59 39899.46 42983.40 17554.00 15845.86 13201.40 5227.33 19695.50 21608.92 19009.71 6924.00 56032.00 46655.00 54683.00 36478.66 34132.50 52873.00 34548.00 26162.00 8263.00 40826.97 42955.54 25484.00 24665.75 35332.00 21479.83 15394.50 11516.00 43474.61 39325.22 49372.00 25604.50 29769.33 21681.67 5904.00 41813.94 54080.69 62858.00 26997.00 25499.67
CAR 5:1
35872.00 36042.00 29176.50 5273.60 12444.33 8391.55 26412.76 43937.61 36437.00 15230.00 36893.67 42852.33 6546.00 12370.00 16785.83 21979.00 39708.00 20630.33 6474.00 20553.75 15807.80 36797.91 51057.59 50867.80 21424.00 21200.14 18587.60 9122.67 24178.50 18614.38 27859.64 10684.00 21543.00 28178.00 23737.00 28021.33 31712.06 48244.00 23704.00 13212.00 8379.00 24807.23 21175.69 15645.00 14053.75 30573.00 10733.00 11678.00 14373.00 35034.74 33950.81 58825.00 17887.00 22790.33 20730.33 7775.00 30269.94 47632.09 34501.00 26238.73 16744.56
CAR 6:0
87721.00 78277.00 38134.50 1591.20 4393.33 1833.64 37188.96 73047.25 17757.00 17243.00 13276.67 27112.67 2862.00 13460.00 10948.67 9020.00 27315.00 31590.67 2434.00 4129.75 2452.40 39246.13 68401.97 21267.80 8975.00 7473.71 9279.80 1746.00 9506.00 10607.00 28630.86 3786.00 18802.00 19248.00 6842.00 19108.88 26561.78 8471.00 4975.00 1946.00 1585.00 18501.23 20734.38 15594.00 8146.25 8894.00 2591.83 4028.00 2668.00 17781.54 19753.89 26666.50 19062.00 7009.50 4407.67 987.00 28184.94 36741.13 10215.00 17919.03 6271.07
CAR 6:0;OH
16391.50 6074.00 10184.50 151.33 608.00 490.00 7534.53 15790.42 4896.00 6320.00 5455.67 9994.33 303.00 4523.00 2894.33 1088.50 6976.50 8099.67 110.00 1475.33 375.30 8968.35 14033.27 9445.80 1507.00 3163.29 3618.20 611.00 2104.00 2037.77 5828.42 575.00 3000.00 7339.00 669.00 3811.51 7500.44 4924.00 609.00 48.00 - 3360.03 4370.67 4666.00 2252.50 2076.00 913.50 306.50 - 4021.87 5246.74 6690.00 3127.00 3249.20 756.00 - 5644.34 8083.77 2990.00 3877.62 2691.27
CAR 6:1
2056.00 1487.00 1891.50 44.50 87.00 65.67 1449.82 3093.89 942.50 598.00 1051.50 974.67 - 690.00 329.00 142.00 1075.00 990.67 19.00 134.00 76.00 1782.27 2899.49 941.40 114.00 368.86 341.80 111.00 143.50 476.73 1371.83 53.00 616.00 921.00 221.00 4116.33 3266.61 499.00 243.00 74.50 - 983.57 1123.25 712.00 438.50 525.00 58.75 4799.00 46.00 1503.99 2087.63 2123.50 1214.25 424.50 173.00 - 2175.57 2041.59 2264.50 905.93 301.79
CAR 7:0
1237.50 738.00 554.00 - - 28.33 675.17 1224.94 186.00 180.00 432.33 147.00 6.00 72.00 416.00 45.00 309.00 311.00 - - - 852.40 1240.97 623.33 43.00 128.80 228.50 - 39.00 215.83 1112.86 - 986.00 66.00 - 642.30 542.38 126.00 - - - 482.80 1298.78 175.00 174.00 108.00 - - - 548.36 948.17 2066.50 527.00 532.33 - - 1142.79 1751.49 792.00 292.95 348.80
CAR 8:0
47082.00 35233.00 20863.50 789.80 2360.33 1001.00 25805.55 49852.83 13870.00 9404.00 11681.67 15190.33 1504.00 7972.00 7816.83 5288.50 17046.50 26202.00 923.00 2350.75 1867.90 30750.77 54757.97 19869.00 7149.00 5034.14 8175.60 1064.67 8675.50 9677.38 23278.64 2203.00 13530.00 13944.00 4725.00 15800.41 23196.67 7408.00 1805.00 1388.00 474.00 15570.20 16856.92 8602.00 4230.75 7222.00 982.00 1931.50 2462.00 13687.32 19319.67 30577.00 9198.75 3933.83 2357.33 414.00 23789.24 29645.07 9422.50 9882.33 9359.04
CAR 8:0;OH
68780.00 34202.00 19419.50 216.20 1045.33 556.90 18620.87 47343.14 10236.50 5216.00 12737.67 8656.33 437.00 8054.00 7789.00 3384.50 13098.50 31872.67 191.00 1052.50 728.60 27362.52 45738.51 31366.80 1688.00 3748.14 12151.40 410.50 2950.50 6842.54 13995.86 1372.00 8526.00 11535.00 3121.00 10356.22 17705.39 9204.00 706.00 725.00 280.00 12139.33 9873.67 11976.00 4314.25 10833.00 768.50 1189.50 1417.00 13106.63 18139.93 27479.50 8425.25 3378.67 2456.33 97.00 20216.89 27565.20 5806.00 12384.97 4282.40
CAR 8:1
17909.00 15429.00 7136.50 256.00 244.67 261.43 10484.59 22221.19 5117.00 3992.00 4728.33 3507.00 271.00 3887.00 3558.83 877.00 4909.00 5090.67 - 345.00 257.14 9336.42 15099.64 4984.00 1168.00 1551.29 5572.00 512.00 1122.00 1933.67 5779.14 1031.00 1982.00 3278.00 2315.00 7499.56 9652.33 4656.00 222.00 2450.00 69.00 9853.40 11029.85 6099.00 1592.50 2425.00 163.00 2666.00 253.00 6513.41 6970.44 13288.00 23302.00 2594.60 1155.50 39.00 11446.94 15564.02 3178.50 3727.31 4182.00
CAR DC10:0
10236.00 6912.00 5046.00 194.00 318.33 272.50 2495.89 6296.46 2797.00 575.00 2738.00 3095.67 143.00 727.00 1331.00 210.50 2301.50 3232.33 104.00 317.75 212.00 2718.89 4688.57 1900.20 390.00 1011.14 2116.50 112.00 604.00 814.09 1480.18 393.00 4644.00 4745.00 101.00 1383.76 2027.33 494.00 159.00 37.00 48.00 1470.45 1530.33 1237.00 437.75 767.00 2488.00 196.00 - 1283.51 1628.93 908.50 1472.33 1322.25 180.50 - 2743.80 2933.56 435.00 2266.96 1133.31
CAR DC10:1
5973.50 2865.00 2075.00 22.00 60.00 144.33 1403.51 6313.47 985.50 192.00 3235.00 2669.67 29.00 174.00 617.50 63.00 2172.00 681.33 - 20.00 40.50 1558.71 2774.51 965.40 110.00 998.20 1719.50 42.00 411.00 477.88 1227.22 48.00 3395.00 2323.00 - 800.27 1230.40 26.00 - - - 1462.89 874.45 686.00 152.00 34.00 537.00 117.50 - 766.17 966.15 144.50 967.50 755.50 78.00 - 1521.01 1984.50 59.00 1696.95 571.64
CAR DC16:0
2359.50 4754.00 2363.00 13.00 50.00 - 2648.89 3351.52 227.50 386.00 257.00 88.00 - 137.00 2392.50 - 392.00 2118.00 - 59.00 - 2559.82 6368.86 884.33 - 24.00 3664.00 - - 177.33 10224.60 - 3557.00 722.00 - 1040.01 1201.00 250.00 - - - 616.73 801.11 54.00 160.00 - 234.00 26.00 - 1170.25 976.74 473.50 533.00 259.50 - - 3070.48 1705.18 617.00 1481.76 8931.00
CAR DC18:1
5895.00 4035.00 5254.00 127.00 45.00 - 5536.74 5637.03 490.50 105.00 546.50 302.67 - 688.00 4171.00 56.00 1813.00 2856.33 - 825.00 43.50 4359.44 11643.73 1298.75 - 111.00 3556.00 - - 441.71 15728.75 47.00 3386.00 1324.00 52.00 1421.78 1916.71 626.00 - - - 695.90 1847.38 42.00 81.00 - 584.00 90.00 - 1635.21 1118.26 818.00 844.00 367.33 153.00 - 5230.39 3015.75 478.00 2596.04 14995.43
CAR DC3:0
166300.00 100447.00 72868.00 61517.80 65606.33 61733.00 84476.63 206971.28 102790.50 102997.00 126590.00 143702.00 31008.00 91918.00 75086.17 74595.50 163902.50 55197.67 67954.00 73198.50 57795.00 99181.06 125826.51 89047.40 74050.00 95976.86 94662.40 29066.67 57070.50 66967.08 87518.29 63814.00 210661.00 160463.00 145592.00 83009.96 113897.00 82164.00 85182.00 69453.00 95604.00 95463.07 95435.23 75411.00 74765.25 8569.00 49569.33 170762.00 100377.00 105723.84 109838.56 81625.50 113027.00 142137.83 92369.00 60480.00 91295.25 108592.07 49530.00 106247.03 59298.15
CAR DC3:0;2Me
22304.00 12815.00 11760.50 14670.00 15605.00 16671.00 12992.02 18541.86 14539.00 17909.00 18638.33 25390.00 10883.00 13075.00 16751.50 17724.50 21021.00 16287.00 19235.00 17889.50 17539.00 16493.97 17257.27 21521.60 15384.00 23907.00 18417.20 10043.67 14689.00 16853.15 21863.86 17749.00 31155.00 22699.00 34823.00 18055.03 19782.44 22063.00 15838.00 19656.00 22902.00 19746.80 19353.46 16222.00 13037.75 12702.00 15845.83 31118.00 41208.00 22714.84 23520.89 14772.00 18103.00 33179.50 26881.00 13863.00 18862.18 18840.22 16048.00 12182.03 24282.67
CAR DC5:0
20702.50 13917.00 7720.00 8039.80 7115.67 9908.64 14184.94 37038.33 10969.00 16198.00 26885.33 26164.67 5144.00 10596.00 12913.17 14251.50 16880.00 20842.33 7725.00 10833.50 9199.70 18324.09 34880.39 21433.80 6293.00 16949.00 15383.20 5258.67 5050.00 10242.54 17697.21 10994.00 47170.00 18942.00 11733.00 15230.76 18490.78 20685.00 9018.00 7617.50 8475.00 13199.47 14174.00 9740.00 10703.50 19106.00 11387.33 39259.50 18703.00 19658.84 30123.70 13210.50 13921.00 23021.33 10531.33 8938.00 16563.71 23115.60 8431.50 16296.37 12771.15
CAR DC6:0
51402.00 41912.00 76631.00 7885.00 7241.00 11193.91 28520.75 67351.11 23937.50 17041.00 43894.67 40505.00 5270.00 26966.00 15471.50 15167.50 90811.50 25409.00 5606.00 11357.75 9547.30 27241.13 37679.99 32071.40 8693.00 18844.00 43435.80 4851.67 10319.00 16496.38 18348.00 21398.00 39140.00 44677.00 6169.00 15707.01 24693.89 19086.00 11217.00 4463.50 6834.00 16515.63 17006.15 9651.00 9369.25 12680.00 8105.00 20692.00 8679.00 16645.97 20329.04 15343.00 11242.75 16622.00 15878.00 7593.00 24955.02 19395.22 11281.50 23248.70 11773.85
CAR DC7:0
4597.00 1748.00 6903.50 812.60 183.67 1611.55 4704.17 15065.58 2296.00 4581.00 10750.00 10799.33 1061.00 1553.00 4874.00 2981.00 9697.50 3822.00 92.00 1734.25 1208.90 4806.38 7875.01 4933.80 1512.00 11055.86 7627.20 676.00 583.50 2374.69 3234.29 3959.00 20039.00 24267.00 4735.00 4990.71 6545.11 6308.00 1065.00 385.50 549.00 6386.90 5900.62 6027.00 2913.00 4433.00 1998.83 6771.00 1647.00 5594.17 7298.67 3475.00 4077.25 7778.17 2542.33 647.00 7219.27 7490.02 2345.50 7635.47 3620.37
CAR DC8:0
75839.00 41903.00 66456.50 2593.40 3607.00 3705.82 23880.52 73243.50 20355.00 5530.00 32928.00 36964.67 1498.00 13547.00 12878.00 7292.00 73264.50 28106.67 5504.00 4844.25 4679.60 26977.52 41021.51 22038.40 4368.00 9540.71 31216.00 1124.67 7964.00 8526.77 14056.50 14599.00 70520.00 64022.00 2382.00 12837.64 21460.06 12001.00 4972.00 1418.50 3624.00 13126.97 11809.38 10009.00 7721.25 6914.00 5698.67 6150.50 1279.00 12352.47 14619.15 7793.00 13310.00 13171.17 4310.00 1544.00 19512.12 22914.31 3037.50 24693.17 7720.44
CAR DC8:1
3818.50 2758.00 6636.50 263.25 154.33 739.00 2625.90 11660.92 1695.00 1880.00 5346.33 6223.33 195.00 1345.00 2182.67 330.00 4932.00 1377.67 71.00 428.67 284.60 2538.08 4551.01 1822.00 173.00 948.71 4626.00 149.00 315.50 1151.33 2175.07 1310.00 4397.00 4179.00 180.00 1173.91 2237.22 953.00 43.00 66.50 41.00 1575.96 1430.23 1166.00 474.50 602.00 608.33 4918.00 62.00 1141.28 1419.76 548.50 1330.75 1727.75 348.33 54.00 2052.07 2078.66 263.00 2262.11 717.75
Carnitine
7267369.50 13789545.00 7864061.50 781556.00 1193634.67 712688.91 10188518.76 12809136.14 5502495.00 5984712.00 5208625.67 2895664.33 935463.00 3045712.00 2851102.67 1733749.50 4436680.00 3973872.00 539214.00 919541.50 879046.50 10203392.96 13860830.83 5884574.40 2865066.00 1908266.00 3662319.20 528896.00 1140505.00 3750101.38 5884109.29 1651994.00 2750527.00 3934626.00 4045308.00 7531934.61 7307027.22 9222859.00 1894777.00 1810377.00 842915.00 7868974.47 7051811.46 8520892.00 3240050.00 6529417.00 1217586.50 1345321.50 2129978.00 7966195.29 7110328.19 12703543.00 7505999.75 3245330.00 3336792.00 799656.00 10738442.36 11763959.13 6015009.00 4441958.13 4517610.04
Cer 18:1;O2/16:0
29023.50 41857.00 32037.00 762.00 3578.50 221.00 103902.31 110284.84 16000.00 11651.00 5197.50 916.00 - 4595.00 44065.00 1611.50 7295.00 22532.33 - 228.33 591.50 105715.99 161574.52 14478.40 3035.00 803.83 17954.00 - - 6177.70 172036.20 1414.00 51876.00 29775.00 1109.00 24287.08 44196.22 28999.00 140.00 3217.00 481.00 20931.13 27269.17 30992.00 4870.25 984.00 971.50 24497.00 4605.00 30570.56 20732.07 15998.50 3980.50 4106.83 2633.67 117.00 95416.32 63531.68 4126.50 41799.67 25958.38
Cer 18:1;O2/18:0
4302.50 5259.00 6723.00 1016.50 1526.00 635.88 5525.08 5899.78 3891.00 346.00 910.50 1313.00 - 1069.00 9586.00 1102.50 1488.50 6248.00 742.00 927.25 1401.62 5215.84 8015.02 894.00 - 1407.25 2945.60 214.00 1090.00 2048.90 7199.62 - 9517.00 11297.00 560.00 2588.82 3426.94 1027.00 - 1460.00 2761.00 2165.73 9249.50 303.00 3880.67 210.00 1270.40 12743.00 3465.00 2877.87 3238.46 1593.50 1102.00 939.40 1029.33 301.00 5914.97 5598.51 708.50 7150.76 5168.46
Cer 18:1;O2/20:0
2911.50 1029.00 594.50 41.00 418.00 67.50 2169.26 1473.35 372.00 - 123.00 - - 132.00 2580.25 135.00 495.00 7358.00 - 149.00 - 2358.61 2545.69 179.00 - - 2914.00 - - 862.67 3320.83 - 4731.00 2236.00 - 1648.77 1594.00 62.00 - - - 1326.60 3092.00 - 1064.67 - 2007.00 8163.00 409.00 1407.42 1795.29 755.00 446.00 312.00 83.00 - 4060.19 3284.86 132.00 6371.12 6502.50
Cer 18:1;O2/23:0
14576.00 6395.00 4582.50 - 249.00 107.00 4701.70 4718.75 10671.00 - - - - 66.00 15289.50 2436.00 1833.00 31549.00 - - - 4467.24 4746.88 399.67 - - 1352.50 - - 2170.00 4851.60 - 10919.00 3223.00 - 1762.67 2302.12 - - - - 1033.16 4976.33 2403.00 3346.33 - 1509.00 6880.00 542.00 2107.23 2063.17 965.50 2714.00 402.50 67.00 - 4538.81 3346.74 - 20262.04 8757.50
Cer 18:1;O2/24:1
43545.00 59222.00 46571.00 1265.00 14163.00 1284.50 44490.36 47205.82 11127.50 7063.00 3866.00 372.00 - 3829.00 37547.00 11382.00 20220.00 31625.00 - 1340.50 906.33 44950.84 66453.37 10010.40 936.00 353.67 16099.00 - - 6794.55 68522.70 2079.00 63319.00 47289.00 1106.00 13745.85 17879.78 8995.00 - 6442.00 884.00 16780.71 28030.36 18215.00 14067.50 1853.00 3667.67 18111.50 8598.00 14170.66 14701.15 13184.50 8296.67 4298.40 3461.00 118.00 40607.34 31703.65 7337.00 51817.10 55576.69
Cer 18:1;O2/4:0
551.00 6942.00 571.50 1014.60 729.67 984.89 1242.75 1110.78 595.50 98.00 137.67 2895.33 2581.00 1553.00 677.17 1226.50 1350.00 3208.67 316.00 1554.00 959.44 1310.83 1420.01 2078.80 402.00 915.29 486.40 993.67 820.00 1098.54 2087.14 173.00 2902.00 2365.00 2418.00 1808.45 1595.06 1823.00 1512.00 1496.00 5683.00 1235.44 9469.62 435.00 702.00 958.00 1318.50 286.50 260.00 2848.98 8981.81 980.50 206.50 622.50 803.00 757.00 1658.48 3051.09 508.50 2154.00 1373.76
C-Glycosyltryptophan
5063.50 4121.00 4409.00 3121.00 2663.33 3409.36 2399.31 5355.06 2455.50 2786.00 3436.00 4335.67 1068.00 2764.00 2970.67 4452.50 5771.50 3553.67 3914.00 3557.75 3112.40 2578.77 3487.11 3000.60 1357.00 4040.86 2870.80 1384.00 3497.00 2397.15 3361.43 3570.00 5578.00 3484.00 4422.00 2909.73 3585.83 3166.00 3249.00 3574.50 3598.00 3163.67 4038.85 2888.00 2324.50 2720.00 3709.50 8719.00 10457.00 3345.99 4003.15 2748.50 3218.00 4909.50 4428.00 2512.00 3059.93 3218.24 2775.50 4599.17 4461.70
Choline
973057.00 2962267.00 712387.50 424574.00 586894.67 446665.82 1003346.25 1039322.11 898730.50 800060.00 611378.00 294918.67 228475.00 793567.00 571469.50 861235.00 749560.50 608679.67 297635.00 418298.50 455932.10 907229.81 1099120.52 620150.40 266360.00 364330.71 616531.60 266646.33 429383.00 616662.31 836777.71 502461.00 579155.00 435850.00 720638.00 1063207.82 1070150.22 1615726.00 467529.00 646801.00 394219.00 1178985.83 927131.31 853793.00 408495.75 1205612.00 404189.83 639678.50 1124780.00 1022273.39 1044189.59 1021370.50 742684.75 519094.17 650592.33 358380.00 1224806.14 1142264.82 954912.50 1343134.17 671881.56
Choline phosphate
2726.00 3457.00 857.50 4128.40 4404.67 2279.50 10421.56 14506.67 7693.00 10426.00 4476.67 2770.00 3211.00 5099.00 3049.17 4438.00 1450.50 2068.67 2572.00 2884.25 3546.30 11410.41 12840.54 6371.80 6841.00 6313.29 5192.40 2239.67 3514.00 3481.58 6446.00 - - - 2762.00 6950.86 5289.40 9736.00 613.00 4952.00 7138.00 3602.48 2633.10 2341.00 1106.00 2651.00 6366.40 1154.00 - 8039.59 7045.28 3911.50 4302.25 3330.80 1846.00 4925.00 5830.19 5337.03 976.50 9219.97 5160.00
Citrulline
51645.00 202462.00 100376.00 9805.20 6497.00 9309.55 37917.15 43055.50 32536.50 9918.00 22357.33 10490.67 3272.00 40362.00 11937.50 11380.50 22109.50 45690.00 7352.00 7040.75 7123.10 40018.34 50516.13 24931.20 4586.00 9320.57 22522.60 5424.67 5903.00 15672.92 21784.14 11519.00 6808.00 9684.00 15914.00 28246.97 30905.28 26833.00 9582.00 9471.50 5973.00 25091.27 24509.54 17375.00 17562.00 30462.00 12009.33 9988.00 10888.00 33199.97 27280.48 54065.50 23872.75 11440.33 15131.67 8549.00 38596.04 39766.40 26053.50 36404.77 11029.30
Cortisol
117861.50 112818.00 182527.00 28668.20 95617.67 13091.73 80018.58 125493.03 77716.50 48416.00 28339.00 42456.33 25713.00 12262.00 43432.50 88383.00 331998.50 88851.33 19519.00 55230.50 43653.10 80983.85 172247.76 42215.60 34561.00 39579.86 41772.20 6748.67 127297.50 39938.92 72788.64 26451.00 99306.00 160726.00 12351.00 54593.59 45245.67 18761.00 91015.00 11808.00 15312.00 72444.50 68638.23 61715.00 37254.75 781.00 35017.83 37750.50 8978.00 53363.26 50089.26 17907.50 55965.25 67668.17 73798.00 19518.00 65528.27 77997.09 65763.50 95464.24 56625.74
Cortisone
5253.00 1487.00 2895.50 1806.60 2908.67 2138.00 2653.11 2957.56 1893.00 676.00 469.33 2479.00 1294.00 - 3115.20 4750.50 6493.50 3657.67 2868.00 4360.00 2310.78 2015.48 3806.15 1058.80 214.00 2165.00 1666.25 621.67 2820.50 2316.00 2228.43 479.00 1123.00 5052.00 237.00 1925.41 2106.88 442.00 3476.00 1707.00 1991.00 1978.48 2348.42 1898.00 5035.00 - 3408.83 1927.00 218.00 1694.22 3448.86 74.00 3047.25 2980.17 6165.00 1234.00 1648.20 2066.09 1519.00 3065.88 1914.50
Cotinine
9539.00 19444.00 774.50 3068.40 3354.33 4205.55 4445.10 9616.56 2037.00 1957.00 2225.67 953.00 20130.00 4121.00 2539.00 797554.50 150341.00 205687.33 716.00 14844.75 23000.60 21363.59 24510.66 7927.20 668.00 5279.29 1417.80 813.00 22431.00 10317.62 12482.86 216.00 12167.00 3023.00 1307.00 2089.95 1988.78 3387.00 1870.00 525.50 1932.00 38249.23 49001.85 3749.00 235009.75 2922.00 1358190.00 5483.00 74392.00 29656.93 26141.59 225754.50 2681.00 22115.33 134668.00 1637.00 125093.85 88647.13 76000.00 274956.17 40699.89
Creatine
2036883.00 3086293.00 2296981.50 1280268.20 1324374.67 1295926.18 2262182.94 3099820.97 2194797.00 2497812.00 1839192.67 1738281.33 873392.00 2361014.00 1605561.83 1600478.00 1833686.00 1743286.00 1559164.00 1392373.00 1280576.40 2237353.16 2729922.38 2315189.20 1991509.00 1448745.14 1416750.00 806488.00 1264260.00 1566513.08 2073701.00 1123252.00 2134897.00 2448836.00 2267960.00 2196331.31 2768106.11 2832103.00 1685037.00 1685569.00 1003305.00 2301730.93 2195303.69 1552814.00 1537489.75 2062955.00 1442002.67 1163900.50 1626877.00 2215638.46 2467622.37 1501742.00 1840957.00 2206615.67 1801563.67 1338085.00 2136958.26 2385707.16 2306631.50 1549137.97 1754227.67
Creatinine
6610950.00 5624084.00 4080938.00 4168920.60 4614426.67 4624730.27 4252150.76 6002147.89 4225074.50 3513383.00 3681841.33 5605378.33 2572176.00 3816874.00 3752404.83 6968945.50 8898033.50 5211904.00 4901815.00 3830219.50 4441763.40 4729086.53 5266164.86 4558693.60 3437574.00 5077312.00 4916422.00 3185482.00 5922125.00 3909685.38 4971083.71 4554824.00 5081684.00 4663277.00 4997976.00 4552069.48 4374492.28 4919258.00 5133512.00 5084517.50 5092021.00 4863977.23 4841871.00 4883618.00 4393339.75 4647744.00 5063632.50 5646094.50 6587757.00 5241934.74 5377455.41 5025315.00 5552990.00 6322957.00 5716788.67 4083722.00 5039070.10 5229505.60 4224280.50 5350158.83 5647106.81
Cyclohexylamine
2330956.00 2001203.00 2309539.50 4681081.60 2692498.67 13581345.91 3306339.63 4433154.36 11331560.00 2241184.00 2853819.67 1979748.33 2502498.00 2175901.00 3513292.33 15082499.50 4887167.00 5530595.33 1524384.00 6914019.75 2666069.00 3526509.17 2517725.20 2731711.80 2369484.00 3470021.00 2768986.80 2367080.33 2067599.50 2497309.00 2809043.93 2496106.00 2080798.00 1540184.00 2837166.00 2719189.69 2035182.94 13056634.00 1272746.00 2557463.50 988601.00 2821936.83 4265261.08 1634443.00 1927214.75 1731886.00 1877572.33 1204533.50 2207329.00 3131457.14 2645348.70 1087142.50 1700146.50 1759507.50 1617924.67 1877408.00 2414198.13 2725516.84 9507011.50 1894536.37 1620525.59
Cystine
26034.00 79678.00 25618.00 860.60 2447.33 960.45 11041.54 18059.22 9787.00 4259.00 3773.67 2842.33 1567.00 12987.00 2632.50 6177.50 8671.50 9336.67 537.00 1842.50 1130.80 11263.42 12388.52 6898.40 3203.00 1150.29 3831.20 915.00 2430.50 6057.31 3530.71 1713.00 7858.00 2347.00 3394.00 5540.60 5788.18 5566.00 1772.00 1357.50 2855.00 6199.83 5287.69 2935.00 8623.75 1427.00 1746.33 1796.50 3697.00 7130.38 4639.62 7249.50 41930.00 1829.17 1690.67 755.00 6080.76 6660.17 5255.00 9753.07 1789.50
Cytidine
484.00 520.00 423.00 86453.60 27452.00 205231.09 23574.14 23252.09 516.00 - 10276.50 16086.00 16397.00 292.00 55184.00 175293.00 214217.00 36065.67 180047.00 30853.25 94408.30 8978.54 29476.97 3207.00 - 141222.71 1736.00 107892.33 398615.00 15828.08 38399.00 - 1290.00 847.00 2165.00 5610.88 1632.06 11658.00 10023.00 1449.00 14358.00 4701.97 3046.08 845.00 875.50 869.00 15100.83 29965.00 3537.00 6386.65 8588.78 1025.00 8181.25 11537.50 3276.67 33627.00 2799.62 2836.60 1637.50 2419.40 14949.63
Cytosine
822640.50 273087.00 329392.50 883667.20 4593345.33 1155095.64 665254.32 1252160.53 1137350.00 2252251.00 2147990.67 1087312.33 559738.00 1571740.00 1890130.33 806861.50 2694938.50 347876.33 201483.00 1090277.50 283400.40 734581.59 881398.48 478538.20 300300.00 589133.71 1955662.60 476950.67 1159208.00 1231438.31 679527.43 415563.00 388272.00 3058432.00 987482.00 955177.64 717213.56 547878.00 110225.00 338621.50 1775527.00 1240507.70 1310571.85 627483.00 1285067.00 1766859.00 1428664.33 941767.50 446486.00 1783464.80 1093626.63 356637.00 657442.00 1084039.33 2242829.67 598458.00 1309085.10 1774524.51 1883338.50 1059251.17 1194005.74
Deoxyinosine
14239.50 13863.00 322.00 - - 39.67 720.67 1323.19 925.00 395.00 2554.00 - - 898.00 253.25 - - 248.50 - - 37.00 864.66 1245.26 665.33 19.00 267.67 7859.00 - - 869.50 1855.00 - 368.00 2154.00 416.00 1287.97 876.64 1305.00 461.00 769.50 3152.00 1428.43 1163.58 655.00 15789.25 43.00 1397.60 89.50 - 1847.32 877.06 334.00 893.33 1124.83 663.33 282.00 1387.46 1131.50 1283.50 23313.65 560.05
Deoxyuridine
9097.00 8065.00 7859.50 7443.20 7346.00 7738.18 7562.38 14402.42 6478.50 3630.00 7996.00 17760.00 4777.00 9460.00 9279.50 12610.50 13413.00 7498.00 4606.00 8223.00 6638.00 7151.62 10445.72 7577.80 3973.00 7585.86 9814.40 3972.33 8814.00 6093.15 7296.36 3416.00 7791.00 9340.00 4511.00 6135.70 7387.72 5344.00 5881.00 5648.00 5243.00 6646.23 6900.85 6990.00 5388.50 7062.00 5465.83 12087.00 5875.00 6591.04 7815.78 5999.00 5526.00 8513.83 6374.33 3721.00 6968.21 7110.40 5284.50 7209.13 6799.52
DG 34:1
979.50 1416.00 2117.00 853.33 875.00 239.00 3542.20 7881.62 808.00 244.00 584.00 532.50 96.00 904.00 1071.20 1939.00 - 2419.00 - 675.33 634.67 2423.86 2885.74 179.60 - 249.00 541.75 594.00 - 664.00 1165.40 - 3699.00 4837.00 - 687.91 1097.15 36.00 - - - 689.46 895.38 960.00 1982.00 921.00 1127.00 2327.00 508.00 890.52 493.00 862.00 283.00 564.33 92.00 - 1153.67 1319.11 129.00 5723.12 2432.36
DG 36:2
1816.50 1691.00 1984.00 279.33 675.50 38.83 2533.11 3530.94 680.00 18.00 139.00 263.00 97.00 165.00 2649.60 808.00 489.00 689.50 36.00 17.50 69.75 2028.14 2453.77 377.75 8.00 47.00 337.20 79.67 104.00 263.33 1248.89 39.00 8974.00 8236.00 - 936.71 1706.56 88.00 - 221.00 - 1107.37 1105.11 997.00 1860.67 1310.00 267.25 7221.00 1210.00 899.80 708.38 361.50 538.33 751.67 201.00 - 1346.47 1499.13 68.50 5771.23 4032.27
Diethanolamine
3830.00 2625.00 2803.50 3345.00 3277.67 2542.18 11672.48 4475.22 2315.00 1979.00 2765.00 2346.33 7591.00 6652.00 4485.33 3081.50 2966.50 3023.00 3332.00 3582.00 2996.00 4602.35 4497.93 4719.40 2202.00 3958.43 3203.60 2727.67 3266.00 4379.31 4995.07 1760.00 2677.00 2443.00 2799.00 4377.06 4560.50 7292.00 2412.00 3203.00 2786.00 4896.73 3775.62 3004.00 3055.25 3334.00 3464.50 2034.50 2697.00 4396.82 4187.52 3752.00 3259.25 3477.83 4733.33 4311.00 6043.28 7928.62 3950.00 3948.60 4103.70
Dihydrothymine
7303.00 9883.00 8564.50 5470.60 5688.33 5192.18 6079.61 6364.28 5523.00 4055.00 6212.00 6318.33 6005.00 6055.00 5667.33 6273.00 4245.00 5996.67 5596.00 8001.25 5097.30 6410.06 6845.00 6560.60 5153.00 6833.14 5957.40 4750.67 4688.50 5046.69 6182.14 4842.00 5783.00 5879.00 6320.00 5751.47 5985.28 6115.00 5843.00 5429.50 4808.00 5351.83 5619.31 5952.00 5994.75 5586.00 5259.83 4755.50 4551.00 6417.82 5400.93 6161.50 5250.75 5236.33 4746.00 4124.00 5999.86 6460.78 6005.50 7213.00 4722.93
Dimethylarginine
32398972.50 75476914.00 29282746.50 5067982.00 5102019.00 4677258.18 25954374.17 30678896.75 16990129.00 15807535.00 12155255.33 6284363.33 2928044.00 22713821.00 10389046.33 7257644.50 11773696.50 17929009.67 4214100.00 4528991.00 4111311.60 26112199.86 35773652.06 20013444.80 11541552.00 8361461.14 15490168.80 2359131.33 5100436.50 12753073.85 19735627.29 9148506.00 12582678.00 15056289.00 12500328.00 20913582.38 20643465.89 25198912.00 11576172.00 10652662.00 6516957.00 20561037.60 19866996.31 20446395.00 13009165.75 15739708.00 5546541.50 7927320.50 7251487.00 22547176.28 18029639.19 33634397.50 18231749.50 11024196.67 9493550.00 5453646.00 28057698.72 28962451.44 14506288.50 28990217.77 11543916.93
Dimethylglycine
19199.00 30325.00 34155.50 4597.00 12419.33 5090.82 45242.32 52407.11 129326.50 10826.00 20911.00 9360.67 7640.00 45411.00 27375.00 7313.00 17901.50 18400.67 3928.00 8319.75 7443.90 43108.83 81571.24 24173.00 7815.00 9005.43 16446.80 6451.33 11921.00 20241.85 27385.79 8212.00 62836.00 23410.00 8908.00 24423.66 27811.78 16881.00 7231.00 10553.00 7467.00 36410.97 33634.46 32918.00 15647.25 16301.00 8106.67 6804.00 9445.00 32427.50 21507.30 52032.00 20835.75 12541.50 10036.33 8136.00 54590.84 87712.47 38892.00 16531.97 16487.52
DMGV
1533641.00 4029606.00 2757223.50 350229.60 251916.67 1130911.82 2718971.75 5951282.86 1082561.50 890191.00 1885032.33 3594399.33 38110.00 717613.00 1645929.17 2566821.50 17140041.00 2321056.33 2050.00 307672.25 570156.00 3051203.35 4978013.99 4198341.80 302389.00 737698.71 1706195.40 75950.00 1013347.50 2105158.46 1377293.93 504784.00 1892163.00 1949204.00 885699.00 1692554.07 1770095.56 278673.00 15510.00 90616.50 944269.00 1467975.14 1795450.38 835440.00 2178257.50 226503.00 395560.00 2573904.00 154840.00 1936145.15 1652666.00 2838258.00 973950.75 2044593.50 75798.33 31464.00 1661788.89 2355652.30 1492076.50 2843880.30 171963.43
Ectoine
1149.00 328.00 67.00 163.80 251.33 641.18 919.10 4630.20 672.00 1017.00 399.67 119.67 23.00 413.00 496.33 632.50 3104.00 273.00 230.00 90.50 200.30 2320.48 887.96 393.20 160.00 569.00 1260.20 278.33 220.00 410.69 268.33 1790.00 - 150.00 - 1466.51 3576.70 1701.00 - 1259.00 592.00 3878.26 419.73 6295.00 2679.67 8433.00 1874.80 1321.00 378.00 1436.55 2129.32 1753.00 2617.50 92.17 4319.00 193.00 2340.50 2870.62 333.00 976.15 922.00
FAPy-adenine
2882.50 1585.00 1677.50 1752.60 2219.00 2500.82 1558.25 3167.61 1631.00 1325.00 1908.00 1587.00 860.00 1220.00 1437.00 3614.00 6757.00 1842.67 1489.00 2307.50 1981.90 1711.06 2106.80 2102.80 1387.00 2038.43 1785.20 1385.67 2601.00 1437.00 2084.50 1388.00 1775.00 1399.00 3266.00 1691.95 1379.11 1452.00 948.00 1294.00 2056.00 1485.50 1459.85 756.00 2445.50 1802.00 2734.17 3555.00 1788.00 2183.37 2089.07 1445.50 1602.50 3742.67 2833.33 1875.00 1611.92 1647.93 1596.50 2490.17 2510.04
Gabapentin
306.50 235.00 440.50 399.60 422.67 483.45 389.45 398.64 394.50 356.00 359.00 365.67 516.00 442.00 418.33 426.00 281.50 389.00 471.00 423.75 492.50 411.70 363.01 418.80 395.00 507.43 522.00 502.33 398.00 449.38 1352.29 438.00 53.00 65.00 3306.00 735.07 67.12 1742.00 22.00 159.50 72.00 47.27 52.31 11.00 118.50 22.00 36.67 48.00 1670.00 495.88 26601.65 2472.50 39.00 316.20 56.00 33.00 4848.86 6959.14 83.00 148.93 174.81
GlcCer 18:1;O2/18:0
1001.00 350.00 4964.00 1543.00 - 1227.50 6456.65 2459.00 1695.00 - 644.00 - - 1331.00 3642.00 - - 8337.00 - 816.00 - 7202.23 10593.17 745.50 - - 7305.50 - 1064.00 554.00 33003.50 351.00 977.00 4139.00 - 1570.48 2687.90 213.00 - - - 862.53 1250.33 1573.00 864.33 - 325.00 13244.00 1728.00 1819.77 1948.26 645.00 908.00 130.00 - - 3014.24 3237.97 1096.00 2912.59 552.75
GlcCer 18:2;O2/23:0
- - 2259.00 1505.00 - 1959.00 6935.47 1362.38 633.00 - - - - 401.00 1714.00 - - 12529.00 - 2004.00 - 4907.13 10083.52 - - - 5898.00 - - - 66206.00 - - 423.00 - 1001.39 4162.80 - - - - 405.50 425.00 308.00 809.33 166.00 106.00 679.00 330.00 1404.35 787.00 319.00 - - - - 1771.28 2316.00 391.00 861.31 2216.00
Glu-Gln
17761.50 21498.00 9239.00 12579.20 18324.00 9955.36 10970.15 10605.03 7905.00 5836.00 9124.67 17302.67 3182.00 14142.00 8962.17 9564.00 21340.00 16478.00 14339.00 7059.75 10461.00 12774.71 12658.99 13027.60 2212.00 8459.29 10600.00 8818.33 15057.00 10886.62 9336.79 3542.00 23102.00 8571.00 28902.00 32987.85 29464.78 54927.00 14671.00 58407.00 14738.00 53159.13 68931.92 32583.00 14234.25 37700.00 15234.00 13097.50 20404.00 35922.48 32668.48 26807.00 24515.75 11461.17 30253.67 12987.00 66723.32 66824.56 63514.00 48674.33 20761.70
Glu-Lys
4335.00 8250.00 2981.00 527.60 723.67 575.55 2798.82 2607.31 1678.00 910.00 1108.33 823.00 988.00 1961.00 700.50 863.00 1574.00 1693.00 173.00 818.75 652.20 3479.02 3772.39 2552.60 185.00 925.86 1633.00 555.33 925.00 1248.08 1684.14 385.00 2218.00 1527.00 1609.00 6310.03 4041.83 10941.00 820.00 2537.00 632.00 7876.27 12589.23 8125.00 1147.50 2751.00 890.17 676.00 3064.00 5223.28 5693.33 5122.50 2933.00 1224.83 1305.67 425.00 13466.42 12044.56 7699.50 9233.80 4240.30
Glutamic acid
11016.50 26988.00 23282.50 976.60 922.67 713.64 11330.83 11137.47 5545.50 1870.00 1179.33 550.67 150.00 925.00 2008.33 6242.50 7088.00 6921.33 549.00 511.50 876.50 9777.70 10541.13 3273.80 518.00 2001.57 2817.80 354.67 769.50 3589.38 3104.36 5492.00 3514.00 1266.00 1013.00 23579.21 19631.61 54384.00 950.00 31384.00 1381.00 48460.23 73164.54 55400.00 2505.00 22936.00 1364.33 3421.00 19366.00 21883.93 27328.41 15213.00 16644.50 1111.00 16084.00 494.00 75013.50 84492.98 39668.50 78226.77 64240.41
Glutamine
3848076.00 5401144.00 2352818.00 1479328.40 2233953.67 1288677.55 1965645.68 2173915.81 2015364.00 1755725.00 1854087.33 2066252.33 788242.00 2291711.00 1601778.17 1689981.50 2320993.00 2577285.33 1795114.00 1390736.75 1526064.70 2213342.77 2540567.89 2595692.20 619751.00 1535098.00 1625044.60 986059.00 1968977.50 1473119.00 1876498.57 764126.00 2069873.00 1753963.00 2570570.00 2001896.16 2349748.22 1722709.00 1846733.00 1555576.00 1411939.00 1821072.40 1736073.92 1054348.00 1577674.50 1417127.00 1684654.00 1723788.00 1504904.00 2248579.73 1692112.48 2438011.00 1661422.75 1869484.67 1529839.00 1494063.00 1796877.82 1742703.00 2048996.50 2622285.90 1020125.37
Glycine
3802.00 19714.00 4269.00 306.20 301.33 285.27 4417.91 5092.28 2359.50 2601.00 1822.67 692.00 335.00 4025.00 1567.83 669.00 646.50 2782.00 226.00 293.25 308.60 3802.10 5221.39 2281.40 849.00 681.29 2475.20 198.00 407.00 1599.62 2297.93 881.00 1668.00 729.00 1710.00 2769.23 3527.56 1911.00 1050.00 1066.00 337.00 2818.33 2825.92 1423.00 991.50 1665.00 370.50 529.50 777.00 2856.09 2648.85 4366.00 2535.25 749.33 995.67 239.00 3683.69 3908.40 2154.50 3108.67 976.04
Glycocholic acid
3431.50 22646.00 30576.00 720.00 7634.00 721.00 22296.75 10164.04 5508.50 5.00 2005.00 1470.50 3859.00 - 4014.00 - 23972.00 59272.33 - - 563.67 13693.18 22790.11 13282.50 - 676.00 160471.00 - 986.00 44037.44 8010.25 - - 3072.00 - 9273.42 4469.58 - - 1259.50 8715.00 4633.25 15508.55 - 1678.00 169.00 8513.33 3388.50 - 27825.58 9698.14 6262.50 41372.50 445.00 359.00 - 20749.99 26155.10 854.00 56075.20 61594.50
Glycodeoxycholic acid/Glycochenodeoxycholic acid
744.00 9240.00 39784.00 183.00 13172.00 - 26230.14 11907.14 5393.00 - 1637.00 - 36.00 45.00 8733.60 - 14334.00 58435.50 - - - 23956.50 62133.53 4144.50 - - 174732.00 - - 22642.75 23441.00 - 1185.00 897.00 448.00 4701.86 5808.89 883.00 523.00 687.50 869.00 4309.80 5938.38 6449.00 1392.25 1008.00 1165.83 1423.00 357.00 9581.30 5857.00 10242.00 11566.75 705.83 707.00 656.00 18887.96 28278.42 487.50 10527.30 10217.19
Guanidinosuccinic acid
596.50 1174.00 490.00 42.50 21.00 788.00 406.35 3018.43 47.00 36.00 441.50 2611.00 - 30.00 137.00 527.00 732.50 498.33 - 129.33 93.71 462.77 1320.60 536.40 47.00 131.33 191.33 112.00 161.00 108.44 427.18 - 693.00 39.00 51.00 406.11 413.89 359.00 32.00 10.00 - 307.64 296.15 202.00 343.00 114.00 102.00 469.50 450.00 436.19 849.48 352.00 180.00 338.33 202.67 32.00 387.32 809.52 311.00 316.59 234.56
Guanidoacetic acid
832.50 15322.00 357.50 39.33 30.00 58.43 977.09 850.47 390.50 474.00 262.67 68.50 - 1132.00 236.80 278.50 26.50 216.33 - 49.00 50.00 1060.75 1379.84 350.20 86.00 135.50 1201.20 55.00 123.00 504.62 453.67 127.00 51.00 31.00 1108.00 945.90 1421.53 467.00 267.00 829.00 53.00 1040.60 1120.46 246.00 49.33 577.00 106.40 27.00 898.00 1080.37 2398.36 1360.00 666.00 119.20 518.33 25.00 1194.94 1652.07 570.50 1054.45 267.15
Guanine
542.50 1822.00 625.00 75.67 23.00 31.71 102.97 102.17 38.00 17.00 47.50 43.00 9.00 58.00 47.33 33.00 246.00 189.67 10.00 24.75 105.60 121.57 256.41 39.00 - 101.00 77.00 12.00 20.00 69.73 91.17 - 16884.00 177.00 21.00 5342.60 138.67 114.00 49.00 133.00 - 339.48 120.45 279.00 525.67 35.00 174.00 11.00 - 2567.36 3514.52 102.00 25.00 22.25 58.67 - 422.18 1384.06 92.00 2298.93 49.92
Guanosine
2918.50 2943.00 3593.00 1207.00 876.00 1312.18 1133.58 996.74 692.50 1155.00 598.00 1185.67 980.00 1269.00 964.67 4720.00 5133.50 4610.00 1050.00 1537.25 1020.11 1456.53 1970.34 1139.20 1119.00 8993.00 1641.60 921.67 1878.00 1326.08 1756.58 549.00 4591.00 2373.00 1180.00 7956.37 6814.56 37179.00 1892.00 14641.00 3331.00 8537.57 4129.00 15716.00 5331.75 3472.00 2389.67 2190.50 10785.00 6767.01 6639.93 22828.00 2217.75 4133.33 4584.33 1162.00 6670.93 9362.00 6281.00 62339.67 3485.42
Hexose
249190.50 8529.00 503174.50 1707486.00 1883367.00 1170608.18 851093.51 733814.58 557860.50 22654.00 931823.33 527025.67 1990273.00 204312.00 1302835.33 906085.00 545947.50 1002957.00 612813.00 1374589.50 1351359.20 815889.49 725333.54 426045.40 33794.00 481690.29 454948.40 1455710.33 525074.00 1173280.77 877717.64 652230.00 724213.00 639124.00 1370972.00 768784.48 716835.22 706972.00 773721.00 479312.00 680868.00 771364.47 823518.38 959767.00 1030973.00 1069169.00 878285.00 926309.00 1235177.00 851335.74 907123.52 595096.50 766623.50 575672.00 840666.00 826329.00 819961.32 816545.02 653194.50 721362.70 727144.85
Hippuric acid
1511.00 5044.00 93.00 48.40 206.33 3006.00 6439.41 8869.66 23425.00 591.00 2047.00 3692.00 8.00 9.00 751.75 1966.00 519.00 5734.00 - 177.25 122.75 7255.38 7124.67 1043.00 13.00 375.57 859.25 25.00 25.00 2063.33 1827.64 640.00 - 50.00 25.00 1483.33 2340.07 1621.00 23.00 126.00 776.00 2816.36 2141.69 1252.00 310.00 934.00 177.60 115.00 2486.00 1785.71 1898.62 38411.00 88.50 625.80 3414.67 - 3135.43 1917.80 171.00 990.87 1559.20
Histamine
332.00 371.00 552.00 96.60 123.00 131.12 252.56 246.09 131.50 13.00 108.33 1100.00 31.00 173.00 72.75 398.50 122.00 168.67 146.00 108.25 108.33 327.98 186.84 140.00 15.00 290.86 204.50 94.33 9.50 117.64 132.75 1309.00 17.00 60.00 1373.00 172.01 508.00 86.00 92.00 64.00 85.00 294.47 173.69 32.00 150.00 225.00 63.50 56.00 218.00 228.04 613.04 200.50 174.75 35.83 482.67 - 337.63 294.25 168.50 3058.43 105.88
Histidine
702937.00 1557356.00 477863.50 82727.40 80936.00 82726.64 379355.65 475820.81 258073.00 111890.00 142257.00 74424.00 43011.00 358536.00 135601.00 144464.00 161066.00 407815.00 154537.00 70446.25 66695.00 445896.84 494269.11 310694.00 55650.00 65391.71 197177.80 44387.00 63304.00 161621.69 228669.86 67626.00 179238.00 167991.00 211889.00 292133.77 305362.89 229052.00 77233.00 85643.00 78452.00 269501.93 266474.54 119305.00 188405.75 159782.00 112378.67 92690.50 212171.00 363592.27 273184.41 400389.50 265155.25 96112.67 101058.67 67939.00 346008.37 346058.07 191457.50 568153.87 80045.56
Homoanserine
1136.50 111.00 729.50 1567.40 520.00 1431.55 517.53 691.33 605.50 - 358.67 471.33 66.00 624.00 692.80 1827.50 1387.00 335.33 1879.00 1075.00 816.22 560.95 484.55 870.40 230.00 720.83 553.25 671.00 343.00 462.42 703.38 581.00 1159.00 1146.00 911.00 630.10 443.62 492.00 399.00 924.00 869.00 611.90 508.58 31.00 1185.25 521.00 1784.50 2233.50 1684.00 767.76 788.58 271.00 1115.75 1518.67 947.00 636.00 530.17 493.88 1036.50 1506.47 1073.46
Homoarginine
54281.00 39237.00 6194.00 5214.80 2892.33 4650.55 19865.09 16480.89 18594.00 7302.00 5650.00 3058.67 2231.00 15044.00 4050.00 15729.00 8117.00 10888.33 7376.00 3156.25 4569.30 24091.83 30015.51 10040.20 5253.00 8328.00 15962.60 4791.00 4420.50 8374.69 13268.93 8569.00 9394.00 4810.00 12850.00 12825.11 11155.56 6262.00 8038.00 5319.00 2845.00 12017.60 14337.62 3411.00 7501.25 8293.00 10122.00 7807.50 6499.00 13704.10 11825.11 20055.00 13313.00 13247.17 6264.00 12057.00 17066.87 18488.13 12529.50 19000.20 10161.85
Homocarnosine
41394.00 6747.00 23079.50 27500.00 14464.33 9013.45 11960.99 10492.72 20741.50 236.00 4294.67 5479.67 1255.00 10701.00 5999.50 39253.50 9975.50 9671.67 80762.00 12226.00 12007.50 11055.54 7491.74 23964.00 5163.00 6584.43 7568.40 4349.33 3552.50 8884.38 9394.29 7144.00 20365.00 25169.00 21292.00 14659.27 9513.61 9084.00 20578.00 28215.00 19356.00 12050.40 8531.54 3485.00 43858.00 6709.00 37226.33 3196.00 1949.00 13756.41 12052.96 9900.00 30553.50 26202.17 10975.00 22783.00 10227.26 8490.68 19199.00 53646.90 25426.37
Homocitrulline
3748.00 5122.00 - 821.67 - 901.25 887.90 7457.85 552.00 176.00 804.50 2250.00 - - 1199.67 320.50 2044.50 753.00 38.00 48.00 385.67 1116.57 2133.04 1078.00 - 233.17 1614.50 - 125.00 325.57 233.33 385.00 355.00 285.00 24.00 485.63 454.07 720.00 - 44.00 - 880.08 686.67 282.00 147.00 186.00 229.83 2663.00 36.00 568.45 1151.70 183.00 775.67 592.40 94.67 - 728.44 1705.38 552.00 484.12 429.17
Hordenine
102.50 95.00 69.00 207.00 210.67 148.91 1035.60 634.14 228.50 67.00 159.67 91.00 173.00 119.00 134.00 1892.00 105.00 446.00 110.00 3135.00 218.30 2079.48 189.61 223.60 55.00 129.43 172.40 144.00 85.00 9264.31 237.43 43.00 190.00 97.00 107.00 174.09 233.89 108.00 88.00 103.50 67.00 763.97 300.00 33.00 216.75 289.00 366.40 79.50 108.00 16934.82 146.63 342.00 135.75 186.67 119.33 92.00 386.28 135.42 122.50 279.67 318.04
Hydroxyphenylacetyl carnitine (putative)
722.00 11672.00 81.50 - 147.67 62.33 2058.58 24405.89 963.50 2520.00 2164.50 2212.50 - 176.00 1639.33 228.00 3346.50 2251.00 - 385.50 2606.67 2934.05 8906.31 1512.40 39.00 831.83 417.25 11.00 1122.00 250.80 3977.62 - 1923.00 293.00 26.00 3046.15 2307.69 - 132.00 - - 1868.73 3110.70 - 2123.67 1468.00 - 1081.00 258.00 2154.27 2427.21 1632.50 358.50 3914.33 2686.50 - 2202.39 42040.14 2040.00 793.04 1166.79
Hydroxyproline
19086.50 71931.00 22013.00 1631.40 3976.00 1941.00 23145.29 30262.78 26006.00 10357.00 8735.33 16445.00 3559.00 11389.00 8019.00 3091.00 7090.00 19178.33 1232.00 2525.25 1992.20 19165.28 27094.51 14258.60 5552.00 2826.71 7465.60 1274.67 5985.50 6705.00 10284.71 3973.00 7437.00 9038.00 3895.00 15479.59 16659.56 18097.00 2653.00 3655.50 2026.00 15758.17 19619.54 23084.00 6540.75 15252.00 3419.33 4963.50 5062.00 15325.91 13816.00 22383.00 7040.25 3386.17 4897.00 1895.00 21119.74 19674.11 22207.50 12000.63 4214.30
Hydroxysepiapterin
829.50 979.00 59.50 - 245.00 - 693.05 969.04 412.50 235.00 531.67 327.00 - 434.00 219.17 184.00 78.00 11085.00 - 41.00 28.50 862.03 863.34 982.80 23.00 98.00 168.33 - - 771.00 394.88 18.00 669.00 1581.00 - 1297.04 1438.64 - 254.00 - - 483.28 797.17 - 367.67 - 668.00 - - 1125.85 2325.90 595.00 880.67 1197.00 196.67 - 593.67 556.56 144.00 1130.38 30.00
Hypoxanthine
4021646.00 3568047.00 1306624.00 1429804.40 1145875.33 1256881.00 855904.87 1080595.31 1296205.00 726393.00 585751.33 643810.33 641677.00 887763.00 987719.50 3636812.00 1667843.50 1255264.67 2135399.00 1464542.50 1148988.00 942046.40 1228008.51 1062533.00 254581.00 851435.43 637130.20 914285.00 1432028.00 763326.15 1262270.43 272910.00 1146434.00 1370665.00 2621176.00 1057294.37 1040382.39 1328806.00 1463119.00 1284889.00 1261239.00 1330940.40 1331647.00 882892.00 1308899.50 1240291.00 1503253.17 2068457.00 2044664.00 1181162.09 940477.59 979880.50 1016671.75 1087413.83 1652932.67 1447783.00 1287754.90 1536519.16 1663277.50 3368924.27 1148863.48
Ile-Glu
3849.00 5340.00 3914.50 210.50 - 145.00 1291.06 1542.93 171.50 - 441.00 140.00 - - 488.33 - 775.00 1479.00 - - 299.50 1604.68 2487.53 1411.00 - 204.33 752.50 122.00 289.00 705.00 3461.00 - 189.00 44.00 569.00 1711.36 1244.29 2286.00 147.00 543.50 - 1529.21 3572.45 1001.00 70.00 932.00 279.00 81.00 419.00 1554.66 1643.00 1380.00 890.00 76.00 418.67 - 4093.18 3328.86 2351.00 9042.17 792.68
Ile-Ile
- - - - 316.00 155.00 855.97 4615.40 - - - 479.00 - - 4741.00 - - - 263.00 - 2856.33 1384.28 1137.83 558.33 - 685.00 - - 227.00 587.50 459.67 - - - - 2807.50 1307.33 8094.00 - 1858.00 - 4839.80 1626.43 - - 776.00 - - 2049.00 2720.80 2436.53 2557.00 187.00 835.00 440.67 - 3015.76 2928.59 1030.00 42.50 2763.33
Ile-Pro
20571.00 35280.00 19906.00 144.67 102.50 48.00 247.42 862.70 - - 17.00 53.50 - 188.00 20.67 290.50 3717.00 9608.67 - 55.50 32.40 242.20 995.93 71.00 23.00 880.14 68.00 - 24.00 124.33 66.62 128.00 - 588.00 14.00 411.10 184.21 596.00 263.00 905.00 25.00 596.81 895.80 369.00 642.75 51.00 119.25 43.00 201.00 498.18 359.52 468.00 316.33 236.00 135.67 119.00 770.99 1307.64 1370.50 23350.13 2364.04
Ile-Val
- - - - 38.00 - 11824.00 33875.00 - - 138.00 565.00 - 216.00 7386.50 - - - 180.00 - 1579.00 9209.58 19784.69 4032.67 - 21895.00 - - - 14952.40 11671.67 - - - - 13068.92 13199.38 35166.00 - 1992.00 - 14554.31 6235.71 - - 5835.00 - - 3241.00 14253.16 14630.94 18839.00 13921.00 10433.00 2173.00 - 16732.68 11362.95 1526.00 57.00 2333.00
Imidazolepropionic acid
151446.00 7643666.00 56261.00 39945.80 175095.00 44200.09 363785.05 433316.39 144996.50 107724.00 42989.00 144805.67 34505.00 47117.00 75629.67 44282.00 90222.50 88954.67 51543.00 62192.25 64807.70 298230.39 679123.04 102384.80 28889.00 86517.86 67811.00 30677.00 38995.00 79832.54 404278.86 117243.00 262160.00 8888.00 472179.00 268569.43 265825.00 16258.00 5272.00 56980.50 196738.00 306351.00 363959.38 76756.00 22174.50 49712.00 40138.50 49844.50 203163.00 355759.35 707746.70 897807.00 75289.75 125361.50 161306.33 12193.00 502819.40 907635.80 133615.50 122843.90 116113.93
indole-4-carboxaldehyde
677.00 1352.00 - 131.50 221.00 142.33 551.58 827.55 713.50 - 314.00 294.33 198.00 - 382.00 3080.00 1112.00 491.33 3341.00 543.33 1155.56 590.68 697.92 376.25 - 28.50 214.00 96.00 438.00 215.43 329.50 4400.00 - 1017.00 41.00 614.33 667.67 - - 230.00 52.00 727.12 732.85 13.00 15.00 27.00 91.50 9.00 69.00 649.19 573.45 98.00 423.50 327.00 592.00 - 804.33 850.93 99.00 668.37 419.39
Inosine
41804.00 21409.00 32151.00 95107.20 115331.00 110941.27 33406.45 29780.97 23932.00 18067.00 30903.33 47519.00 62270.00 41186.00 74182.67 169342.00 128780.00 52637.33 117360.00 119567.75 79243.70 45716.15 30332.58 35350.40 5037.00 90889.43 45159.00 74317.67 76936.00 39473.62 75043.36 19440.00 33934.00 90390.00 40320.00 78174.66 66984.89 93524.00 48562.00 159903.00 144901.00 162697.10 115671.23 49772.00 112683.75 112282.00 182113.33 147198.50 582647.00 88207.04 91798.26 49623.50 90731.25 101774.17 114640.00 114751.00 115781.21 86871.36 97721.50 459493.77 129545.33
Isoleucine
94305208.50 310751244.00 69228260.00 7147777.60 10692084.33 10017041.73 41611198.54 74816929.19 20550185.50 11684088.00 11086379.67 9365743.00 4124130.00 31622340.00 13705145.17 15251278.00 11017831.00 52012422.33 12727889.00 14345946.25 12023165.50 47336410.27 77465886.68 35640284.40 8128066.00 8294677.86 16910877.00 7873674.67 10512555.00 19857835.54 46790729.64 6380543.00 11804405.00 10367580.00 32247274.00 28856883.39 30832624.78 36619936.00 13491624.00 12183715.50 6503910.00 31040742.43 24409037.92 15405362.00 19376612.50 24420246.00 10831410.50 5970486.50 17406876.00 39002509.05 27369316.70 41840861.00 27592387.75 6247857.83 10931440.00 6956619.00 40126622.55 43426723.36 26798452.00 84770982.63 12437149.04
Kynurenic acid
41426.50 23888.00 16666.50 3712.75 1743.67 1522.20 17777.32 17665.78 12793.50 11818.00 3208.33 6398.33 1499.00 5516.00 5205.17 2711.00 3081.50 21514.00 669.00 1811.25 1548.67 17664.97 23518.35 9942.80 2235.00 2638.00 3291.40 509.00 4570.00 3784.42 6596.14 1586.00 29594.00 9019.00 1540.00 28078.58 12159.50 28109.00 1980.00 2908.00 5605.00 20367.17 10955.46 43280.00 4804.00 1433.00 9087.67 8731.00 5763.00 19981.46 18195.63 14190.50 3535.25 7485.33 3890.00 1059.00 16155.19 16397.60 6685.50 22185.30 6118.56
Lactose
141.00 32036.00 458.00 143.00 359.67 1287.62 3329.94 11943.33 58.00 - 190.00 568.33 278.00 913.00 4059.80 30.00 8013.50 106.50 24.00 154.25 169.83 710.67 1362.49 661.67 - 121.00 692.75 - 27.00 347.00 368.18 - 121.00 894.00 209.00 7484.58 2696.39 700.00 128.00 74.00 26.00 1627.52 3173.80 3549.00 391.67 646.00 308.40 956.50 425.00 1691.94 6792.15 3235.50 428.33 1792.50 100.67 196.00 2818.80 2869.79 425.00 967.14 1071.42
Lauryldiethanolamine
818465.00 613364.00 379022.00 367217.20 223289.00 245962.73 1067081.89 1019804.28 1073919.00 806340.00 815127.33 269727.33 152836.00 1470741.00 645529.33 909810.00 438984.00 1107690.00 282633.00 961428.00 234075.50 1004969.75 1201088.44 552612.40 509714.00 393756.29 457052.80 317180.33 301958.00 588710.69 796369.43 242755.00 15946.00 3185.00 2100.00 9926.24 9058.06 5817.00 5311.00 2520.00 7926.00 7291.67 5438.31 6547.00 15784.75 2005.00 3764.83 7248.00 2523.00 8947.11 9588.85 11936.00 8421.25 10652.83 2198.67 4066.00 7571.99 12033.87 3391.50 15324.17 15318.93
Leucine
197123009.00 544759293.00 138046399.00 17465391.80 23019853.00 19745626.45 71842712.41 115510204.25 30373653.50 16829816.00 19191815.67 15996818.67 8165448.00 63955820.00 22984692.33 38758887.00 37740714.00 114549960.33 33396274.00 26854434.50 23272613.50 92347812.50 140806577.06 66950928.20 14410858.00 15584651.14 25920630.40 15599608.33 22904716.50 34818348.46 77493985.93 11437803.00 38696172.00 19337376.00 65821185.00 53001114.26 51898403.67 63649975.00 23731875.00 21622749.00 13758212.00 51007590.33 48110955.38 19007809.00 38343723.25 42763501.00 25003240.33 19328710.00 44298658.00 69587226.10 54296209.22 70365736.50 60079895.00 14166847.00 22160508.00 14295033.00 71713459.14 81722716.76 51688634.50 174611205.33 23120941.19
Leu-Gly
20375.00 2703.00 3812.00 53.80 40.67 58.88 104.24 241.39 60.00 - 23.50 33.67 87.00 42.00 62.00 102.50 423.00 1092.00 - 49.50 72.40 65.10 79.09 39.40 - 202.00 70.50 83.50 93.00 44.55 52.46 - - - - 135.20 61.00 - - 26.00 - 127.79 133.38 - - - 25.00 - - 136.52 88.55 62.00 - - 33.00 - 226.22 280.68 140.50 43449.96 341.56
LPC 14:0
- - - - - - 28081.65 6496.41 5545.00 1487.00 1019.50 - - 238.00 1173.00 - - - - - - 33310.39 23341.76 1204.33 - - 15887.50 - - 959.00 92253.00 - - - - 7328.80 6847.83 143.00 - - - 1680.60 4685.50 228.00 123.00 - - 1563.00 - 8215.37 2809.69 768.50 1077.00 - - - 22324.99 9786.92 - 3057.06 34883.22
LPC 16:0
24324.50 57679.00 50696.50 720.80 1764.00 446.60 1082320.50 220545.56 324879.00 249937.00 123291.67 262.33 41.00 130393.00 71140.67 23073.00 8391.50 20333.33 288.00 1388.25 1232.60 1107876.98 787622.24 122462.20 21791.00 4019.43 394646.80 67.67 10173.50 50610.08 1097635.14 38572.00 28164.00 9970.00 4372.00 267855.05 220677.61 124562.00 73.00 11655.00 362.00 162555.27 513399.25 166070.00 12930.00 9804.00 1913.50 171392.50 40726.00 342906.50 150108.41 127267.50 63818.50 5402.80 7759.33 134.00 955591.28 718565.56 27572.50 429238.90 2176333.30
LPC 16:1
65.00 346.00 684.50 - - - 58400.15 12491.44 5371.00 3430.00 3070.00 - - 739.00 1403.00 - - - - - - 75921.16 62844.08 3348.25 - - 27305.50 - 9.00 4502.40 185806.75 - - - - 14069.44 11877.75 731.00 - - - 3814.13 8295.75 1094.00 - - - 606.00 - 19176.99 3225.77 754.00 1166.00 - - - 54114.87 31899.42 70.00 6727.86 69016.50
LPC 17:0
- 35.00 - - - - 8964.59 1837.39 4194.00 630.00 512.00 - - 147.00 494.00 62.00 - - - - - 11370.59 7847.36 312.00 - - 5083.00 - - 212.00 18599.40 - - - - 4786.66 4351.83 248.00 - - - 1377.06 6409.57 408.00 63.00 - - 2249.00 206.00 6421.30 2853.00 469.50 546.00 - 44.00 - 11690.37 12236.07 - 5625.25 61142.50
LPC 18:0
4912.50 11228.00 6798.00 421.60 1358.00 357.71 228151.47 48355.50 122116.50 57277.00 27843.67 184.00 - 23672.00 15711.67 17648.00 1072.00 3515.67 74.00 600.00 398.00 233674.33 180379.07 26157.20 2635.00 2362.29 81939.80 47.00 3316.00 14235.31 163016.64 9374.00 10036.00 7564.00 2721.00 70019.80 56761.50 34492.00 - 6211.50 203.00 46368.80 164007.25 38886.00 2918.50 6616.00 1041.50 70050.50 40219.00 106398.64 45629.85 26909.50 24530.50 5167.40 4618.67 - 276946.56 292801.87 7977.50 119781.66 489775.33
LPC 18:1
8240.50 16991.00 14055.00 89.50 1128.00 65.00 416461.61 104517.97 94196.00 98880.00 51239.67 - 58.00 42503.00 28877.00 3112.00 6603.00 3115.33 - 126.00 91.80 501791.34 424907.86 75178.60 7050.00 465.00 167275.20 29.00 1316.00 36129.44 593109.36 4497.00 4741.00 727.00 60.00 88510.17 75232.22 38089.00 - 1305.00 - 48734.28 125243.30 30906.00 5279.00 267.00 181.00 54663.00 3996.00 138383.70 36081.68 41104.50 14115.67 553.67 511.67 - 394641.00 238090.58 7018.00 62366.66 236350.78
LPC 18:2
10844.00 4601.00 5815.50 - - 368.00 194808.51 27234.79 6045.00 11878.00 2148.50 1075.00 - 1246.00 26493.00 161.00 2125.00 6586.00 - 17.00 13.00 260396.76 138256.00 9134.00 - 147.00 22578.60 - 1769.00 6909.14 364767.00 9.00 62.00 - - 17450.53 18244.27 1013.00 - - - 11228.95 21280.56 7926.00 671.50 - - 1401.00 87.00 38695.86 4667.24 1266.50 565.00 - - - 158416.49 49225.80 103.50 23620.42 159263.13
LPC 18:3
25697.00 65951.00 26301.00 210.50 528.50 151.00 354931.84 144328.71 149504.00 100827.00 110909.50 - - 105425.00 73631.00 23285.00 7249.00 28454.50 67.00 120.50 905.25 352085.87 348017.35 88436.00 6531.00 1084.40 198930.80 - 5888.00 39733.70 387052.64 13062.00 23440.00 7396.00 4220.00 124325.50 117955.50 106892.00 - 6059.50 86.00 114920.90 234008.25 107036.00 9225.00 9224.00 4155.00 124392.00 29490.00 128749.66 93283.44 81029.00 49041.25 4116.50 5835.67 - 279343.97 220905.00 23983.00 146624.50 166200.56
LPC 20:1
- 29.00 25.00 - - - 8595.99 1619.00 3360.00 787.00 946.00 - - 468.00 576.50 - - - - - - 8710.39 6975.53 440.00 - - 4868.33 - - 458.50 29492.60 - - - - 3159.96 2211.88 719.00 - - - 1088.20 2765.57 293.00 - - - 2377.00 85.00 4912.69 1253.54 562.00 955.00 - - - 7787.59 15415.88 52.00 1484.00 4971.14
LPC 20:3
1013.50 2693.00 357.50 - 19.00 31.00 47434.38 12654.03 19276.50 7898.00 7977.00 - - 4637.00 5910.67 2341.00 - 886.50 - 22.00 - 62276.41 42138.67 7259.80 46.00 333.50 17316.20 - 61.00 4708.00 70160.50 480.00 1464.00 200.00 - 15487.02 11034.18 7490.00 - 401.00 - 9392.41 45305.62 3705.00 114.00 477.00 - 19978.00 5399.00 23379.30 10196.41 4356.50 4299.67 374.00 99.00 - 63999.68 44792.12 652.50 17695.78 35939.35
LPC 20:4
5776.50 8855.00 7175.00 - 131.00 - 155529.65 48298.97 30091.00 35265.00 34876.50 - - 20490.00 12774.00 1088.00 2009.00 3573.50 - - - 270464.72 178834.25 37609.20 1637.00 206.50 86600.50 - 431.00 18021.62 241168.88 1472.00 2317.00 85.00 - 39348.12 41454.40 21161.00 - - - 26039.80 55326.80 11912.00 2025.50 135.00 - 13703.00 875.00 79028.20 16052.48 16826.50 5921.67 145.00 203.00 - 198647.59 83843.33 2759.00 26288.55 56894.74
LPC 20:5
11414.00 3644.00 7324.00 - - - 55730.23 15167.00 1071.50 2351.00 1645.00 - - 950.00 17375.00 40.00 689.00 6514.00 - - - 80455.07 50473.16 8198.00 - - 25377.50 - 204.00 13597.50 209398.67 - 378.00 - - 8287.46 8640.44 1313.00 - - - 8863.00 10787.57 3795.00 584.00 - - 34.00 - 12897.76 3126.08 661.50 140.00 - - - 39451.22 14300.50 75.00 10350.17 17161.89
LPC 22:6
321.00 - 67.00 - - - 14415.02 3470.00 906.00 1154.00 433.50 - - 65.00 1821.00 - - - - - - 24332.44 11568.18 2487.00 - - 4477.00 - - 4472.00 42253.00 - - - - 5247.96 8677.50 754.00 - - - 2902.08 5923.80 1168.00 - - - - - 11749.71 2518.29 42.00 - - - - 21294.80 6991.58 - 3476.52 34027.71
LPC O-16:0
426.00 4740.00 5027.00 - - - 71793.10 24974.76 29974.00 17148.00 9861.00 - - 4128.00 3852.60 493.00 2328.00 982.00 - - 89.00 73270.05 69803.92 6729.40 901.00 585.50 20308.60 - - 4744.89 118756.44 940.00 2214.00 - 356.00 33911.30 17099.29 16985.00 - 1081.00 583.00 10604.53 59447.60 10238.00 215.00 401.00 - 8981.00 1027.00 43854.34 11197.67 11382.50 7782.00 763.25 391.67 - 103499.64 154541.12 1299.00 38555.38 236618.09
LPC O-18:0
39.00 1380.00 370.00 103.00 94.00 85.64 13316.44 3802.76 4404.00 2139.00 900.33 118.33 112.00 604.00 771.67 71.00 72.50 138.50 38.00 146.00 85.56 13106.89 12509.71 1103.80 - 112.14 3893.00 98.33 68.00 770.58 21937.75 - 579.00 36.00 - 6928.10 3578.67 2329.00 - 8.00 6.00 2205.08 14263.50 1262.00 28.75 18.00 23.67 950.00 298.00 9192.71 1865.54 1068.50 985.67 113.75 27.00 - 24063.60 41248.95 5.00 12642.00 43740.04
LPC P-16:0 or LPC O-16:1
- 448.00 512.00 - - - 14492.11 2876.42 9017.00 2481.00 4169.50 - - 863.00 1103.00 155.00 - 71.00 - - - 12274.37 10070.74 832.00 - 100.50 8527.00 - - 576.71 22451.00 - 59.00 - - 7260.19 5244.09 1552.00 - - - 2336.38 30164.57 1617.00 - - - 3833.00 437.00 9820.78 2873.61 339.00 1958.00 - - - 19840.83 54007.58 172.50 10402.92 76294.27
LPC P-18:0 or LPC O-18:1
196.00 2752.00 2317.00 - - - 52168.79 12123.31 11179.00 6469.00 5710.00 - - 1468.00 2154.33 118.00 582.00 353.00 - - - 44026.06 40379.62 3633.75 140.00 339.00 24122.50 - - 2183.62 119660.20 108.00 346.00 - - 26305.65 10754.55 7830.00 - 530.00 - 6592.00 36019.33 4114.00 - - - 4587.00 76.00 40256.02 4763.00 3695.50 9675.00 150.00 44.00 - 77241.62 159381.40 528.50 25986.36 245851.18
LPE 16:0
132.00 527.00 209.00 - - - 5615.55 1335.55 1191.00 206.00 178.00 - - 30.00 817.50 57.00 - 108.00 - - - 4151.42 3057.09 283.33 - 30.00 1848.50 - - 137.00 10763.50 - - - - 1713.53 1110.25 - - - - 1005.56 17111.75 512.00 - - - 1258.00 - 1436.76 540.20 154.00 148.50 - - - 4830.05 3220.80 36.00 5392.76 258421.78
LPE 18:0
539.00 527.00 1496.00 - 301.00 - 9689.98 3664.81 4597.00 1392.00 906.50 - - 718.00 3409.00 243.00 594.00 142.00 - - - 8373.63 8422.94 784.67 57.00 - 4861.00 - - 675.40 23139.17 - 300.00 43.00 - 1961.14 1489.75 682.00 - 338.00 - 1529.86 10537.00 623.00 156.00 - - 2891.00 897.00 2206.43 950.58 932.00 750.33 214.00 130.00 - 8630.40 6544.74 119.00 9317.43 45320.62
LPE P-18:0 or LPE O-18:1
168.00 464.00 1851.00 44.67 29.00 55.75 5473.76 2129.20 3466.00 - 792.50 46.00 39.00 246.00 633.00 47.00 183.00 78.00 - 46.00 50.33 4353.23 4290.13 210.75 - 95.25 2734.67 54.00 - 270.75 10983.00 - 159.00 - - 2169.55 1312.47 1558.00 - 916.00 - 1409.91 7162.38 395.00 56.33 - 143.50 2160.00 414.00 2387.68 988.00 173.50 447.00 428.00 129.50 106.00 8992.82 8589.27 143.50 12606.97 6157.32
L-Urobilin
149331.00 4193.00 6752.00 380.00 - - 18029.21 15735.37 3393.00 - 764.00 4029.00 4183.00 - 1368.50 240587.00 33116.00 13683.50 - 518.00 3371.50 31583.37 53302.11 15460.50 - 7586.50 18.00 161.00 - 8590.00 550409.00 - - 167.00 355.00 3617.74 728.00 - - - - - - - - - 1081.00 - 58.00 7817.08 17817.83 - - 626.00 - - 11390.95 4108.40 - 1957.80 420381.50
Lysine
746591.50 2152062.00 458954.00 51074.00 43995.33 71821.91 451529.39 503245.36 219934.00 109304.00 142923.00 48518.67 30634.00 340170.00 84525.00 120761.50 143681.50 341150.67 73977.00 75416.00 82308.90 532523.27 687539.79 298177.20 62225.00 66105.43 166064.60 50966.33 83713.00 175599.15 334856.29 65108.00 108731.00 108022.00 228679.00 363023.10 357447.50 262937.00 64438.00 90148.50 41297.00 354580.00 316282.00 133343.00 164677.25 200006.00 94392.83 64126.00 271692.00 419197.68 336779.78 532152.50 373430.00 108051.67 94693.67 60061.00 459847.84 506734.69 245330.00 678423.50 114728.63
Methionine
34719.00 296237.00 80207.50 7030.00 11992.33 8714.36 51299.59 62344.50 20926.00 31400.00 17267.33 18440.33 3643.00 32431.00 17800.33 16646.50 25832.50 37614.00 7243.00 12028.50 12059.50 71052.88 114546.34 71612.20 10644.00 14243.29 26297.80 6169.67 15732.50 28687.23 59372.79 5226.00 38760.00 17892.00 44992.00 46105.86 59731.11 54353.00 18447.00 18009.00 4216.00 41259.97 32494.23 20335.00 22190.75 21165.00 13961.33 8313.50 23942.00 55637.99 45388.30 87217.00 22867.50 12625.67 18099.33 7580.00 54799.70 61264.02 43117.00 101020.20 9483.33
Methionine sulfoxide
112542.00 140394.00 10533.00 1011.80 898.33 512.55 10278.62 13820.25 11647.00 1674.00 2090.33 1145.67 192.00 3269.00 3335.33 963.50 2002.00 54008.33 1117.00 687.50 494.50 12475.37 15362.18 14109.60 1988.00 464.29 2580.40 455.33 1080.00 4164.23 3841.57 3397.00 5044.00 4678.00 4513.00 13997.91 13252.33 22842.00 379.00 4155.50 115.00 19595.07 17805.62 13844.00 4310.25 27396.00 976.17 454.50 1397.00 16216.81 12301.78 27150.50 8160.75 869.00 7329.33 167.00 26105.21 33074.09 24438.50 40962.17 12151.00
Methylguanidine
289.50 159.00 100.00 82.60 91.33 1229.55 229.64 2384.47 362.00 90.00 239.67 696.67 26.00 84.00 254.50 352.00 545.00 150.67 87.00 53.25 96.80 226.74 563.31 240.80 86.00 123.43 367.40 55.00 272.50 198.54 185.29 128.00 199.00 134.00 108.00 329.75 257.28 1080.00 48.00 286.00 32.00 642.20 554.83 497.00 107.00 331.00 58.17 335.50 373.00 349.79 457.30 221.50 311.00 273.60 368.67 61.00 658.56 881.44 396.50 199.83 559.37
Methylimidazoleacetic acid
595015.50 2042620.00 304000.50 445816.00 116207.67 2374305.09 891130.22 7158562.00 414979.50 7685.00 236640.67 645979.33 42894.00 257789.00 561593.83 755694.50 1027470.50 688514.00 459806.00 120501.50 297198.40 786139.03 1097280.32 344855.40 226539.00 473129.86 558728.60 442410.67 98145.00 421292.85 370031.00 1082243.00 389554.00 412211.00 1674340.00 538660.67 361225.61 2254693.00 129523.00 218330.00 649983.00 539935.37 438055.92 994332.00 783606.75 331875.00 634532.17 899154.50 710786.00 519897.26 755255.78 390884.50 583641.50 288237.33 349976.33 388949.00 592748.19 908148.82 546817.50 510298.70 535129.89
Metoprolol
118.00 180.00 1127.00 74.33 97.67 407.00 318.60 609.23 130.00 143.00 188.33 351.00 265.00 985.00 237.40 120.50 811.00 215.33 531.00 1069.33 148.11 273.54 599.48 470.25 134.00 184.00 284.00 404.33 638.00 234.20 204.82 231.00 133.00 300.00 266.00 298.30 173.50 1262.00 24.00 75.50 19.00 387.00 274.42 16.00 206.75 54.00 162.00 138.00 55.00 189.19 190.42 161.00 224.25 822.33 562.33 81.00 222.79 233.66 72.00 177.00 139.23
Metronidazole
16585093.50 22679470.00 309.00 131.00 75.00 342.64 363120.05 5029.86 711.00 117.00 417.33 1038.33 86.00 1017.00 3596569.00 383.50 1693.00 434.33 47.00 67.50 2705831.40 491836.54 479708.25 899.40 11.00 527.29 285.20 100.33 1454.00 426.62 3672244.79 121.00 545.00 169.00 262.00 179514.25 57840.50 532.00 61.00 204.50 177.00 114355.20 443.15 385.00 100617.00 764.00 134.33 262.00 271.00 58099.42 967.67 579.00 355.00 4314.00 539.00 40.00 180849.84 834.09 255.00 1964378.60 353.36
Monoethylglycinexylidide
71.50 54.00 1836.00 1617.00 197.33 1150.27 3034.11 2873.56 1542.00 - 77.33 1282.00 97.00 102.00 393.17 13132.00 1952.50 61637.67 1879.00 25864.50 14210.00 14863.11 12027.13 20770.40 50419.00 13937.43 2243.20 13684.67 11355.50 11052.38 18895.07 - 3523.00 74.00 238.00 2841.14 1270.44 171.00 130.00 1066.50 1056.00 1283.82 1325.75 79.00 430.50 60.00 105.00 899.50 74.00 4300.62 1689.11 1422.00 3009.75 367.17 659.33 1015.00 1286.48 6249.16 192.00 5736.47 1401.15
Myo-inositol
1124240.00 124072.00 563141.00 729792.20 765922.33 639128.09 388278.25 559265.08 309225.50 328979.00 171138.33 546234.00 326103.00 327288.00 384880.17 913999.00 2933190.50 479627.33 671454.00 650872.75 495642.90 503762.46 422621.77 400300.40 1065324.00 220927.86 487751.40 676196.33 515408.50 589729.31 504332.79 181125.00 603228.00 466370.00 666710.00 405470.67 435107.00 323824.00 27057.00 145919.50 308408.00 606011.27 371963.54 248822.00 804528.75 550750.00 881375.33 297376.00 374334.00 531858.29 389288.52 522699.00 234043.25 683129.50 486510.67 431991.00 496010.79 497296.51 435300.50 493058.63 369575.44
N1-Acetylspermidine
818673.50 1608277.00 312416.50 66427.80 85735.00 56501.91 255817.86 479726.47 250231.00 157203.00 82141.67 68182.33 28902.00 246915.00 110169.17 222376.00 214633.50 294839.67 124317.00 67912.50 58595.10 296356.59 578336.01 202418.40 70455.00 331743.43 250691.80 34190.00 157039.50 141048.08 203596.00 61674.00 247074.00 345017.00 263607.00 318806.87 260766.39 679773.00 395084.00 274687.50 75196.00 302692.77 290988.31 245579.00 194036.25 380293.00 146503.17 132361.50 113946.00 333698.21 347805.96 203517.00 200465.75 418375.83 243345.33 65658.00 325393.25 399406.89 227691.50 806767.83 175067.48
N1-Methyl-2-pyridone-5-carboxamide
10184.50 56567.00 3750.50 20644.00 40903.67 40515.36 111568.79 204113.39 71530.50 26688.00 37062.67 196254.67 40690.00 116269.00 67493.67 169806.50 189520.00 37002.00 66640.00 78483.75 44910.70 122838.86 179392.89 192595.80 11676.00 57227.86 33999.60 40449.00 163582.50 94758.92 97498.79 7290.00 18168.00 38942.00 222399.00 197243.54 144655.94 177089.00 33925.00 177321.50 7864.00 187347.20 129559.08 135034.00 13705.50 626777.00 26812.17 48368.00 226570.00 215142.03 299238.74 192253.00 86268.00 157299.83 251126.00 77929.00 206921.69 233646.47 178468.00 19132.07 109974.70
N1,N12-Diacetylspermine
1414455.50 1577877.00 866341.50 2556.20 9083.00 1461.91 87552.16 239073.92 56339.00 24237.00 18051.00 26239.33 3262.00 25978.00 47390.17 34206.00 66726.00 1137282.67 161.00 13773.50 6087.50 114287.03 280877.30 96033.20 69220.00 24252.57 18498.80 1987.50 18448.50 36967.08 90793.57 9515.00 84312.00 171799.00 11150.00 81957.13 105661.06 132821.00 26158.00 29993.50 2712.00 92435.90 70753.54 117024.00 165371.00 12454.00 17269.50 25049.50 1813.00 68242.14 82238.33 171183.50 21877.00 38418.67 58521.33 1307.00 127752.00 164256.27 162596.50 1016140.83 30691.56
N2,N2-Dimethylguanosine
60212.50 118307.00 56385.00 23420.20 22189.67 28469.55 57436.42 113252.72 40913.00 23095.00 35342.33 71812.33 8875.00 38126.00 30183.00 31044.00 80131.00 52195.00 15665.00 22250.50 16910.40 54571.77 99901.96 68679.00 15491.00 30968.14 32066.20 8988.33 65918.50 31248.38 37798.21 15655.00 90214.00 49360.00 11565.00 77008.93 90474.39 251156.00 16603.00 15813.50 19211.00 68078.13 31354.62 172004.00 26534.00 21536.00 19570.67 26301.00 101007.00 59575.13 78124.15 88577.50 64056.50 63976.33 16959.67 19677.00 51942.98 48870.84 20155.00 41028.50 51642.70
N4-Acetylcytidine
58748.50 56662.00 26206.00 25625.00 82971.00 35260.36 37851.62 76073.97 42612.50 18584.00 49642.00 193422.67 20300.00 40381.00 82500.17 112690.00 126910.00 42527.67 21575.00 48784.75 26296.00 35873.17 70377.79 39855.40 9479.00 36915.00 43070.20 19724.00 102008.00 32761.00 50882.57 21699.00 31946.00 37542.00 23164.00 19003.79 32580.33 6689.00 19650.00 12958.00 24782.00 24698.37 44410.00 10170.00 19184.75 25078.00 26874.33 91258.50 22973.00 21474.32 29228.00 23571.00 29386.50 38428.33 16976.00 27601.00 26137.84 28877.38 9342.00 28349.60 12264.74
N6-Acetyllysine
21524.00 35366.00 19717.50 1949.00 3268.00 1613.18 8607.86 12437.67 5709.00 4227.00 3878.33 2726.00 1275.00 7969.00 4726.17 3849.00 11423.00 12247.33 2146.00 2346.50 2012.00 9408.73 13474.82 8005.60 3083.00 2667.29 4644.80 1198.33 6190.50 4490.38 5383.00 3608.00 5904.00 6127.00 5170.00 8157.18 8869.22 12269.00 3503.00 2344.00 2671.00 8405.63 8961.15 8911.00 7601.00 6111.00 2405.83 2659.50 2716.00 8638.81 8421.04 9707.50 5572.50 3921.83 3318.67 1864.00 11124.18 10928.56 10951.00 17165.83 3621.44
N(6)-Methyllysine
38406.00 63238.00 42146.00 38840.60 33283.33 34796.55 75263.27 66181.64 22191.00 13564.00 25486.33 28584.67 21796.00 52267.00 71401.33 40946.50 116659.00 172958.33 11285.00 29569.75 32959.60 84405.59 99388.21 65612.20 102116.00 18614.57 24852.80 22280.33 35473.50 41065.15 53894.71 93091.00 14746.00 20224.00 10372.00 45978.73 39775.78 42028.00 12655.00 6119.00 30322.00 46282.20 50430.08 21724.00 88240.50 12706.00 22935.50 92594.50 12683.00 51469.92 41186.63 99305.00 18518.75 20789.67 28514.67 20249.00 67165.97 64101.24 33799.50 66807.13 31838.41
N(6),N(6)-Dimethyl-lysine
61900.50 131110.00 49796.50 16521.20 17941.00 21119.64 32417.80 43747.56 20274.50 15500.00 18401.00 17085.67 7986.00 29436.00 30517.83 24533.00 69363.50 37607.33 4070.00 18338.50 20791.50 35839.29 51419.31 52180.40 27160.00 12588.29 16999.20 6397.00 15755.00 19491.46 28145.64 26763.00 14653.00 21746.00 16737.00 29493.68 30609.06 36748.00 10781.00 8037.50 12887.00 28922.47 29733.92 26812.00 33905.75 14034.00 9462.33 33948.00 8376.00 28791.44 26916.04 37434.00 12778.00 13701.50 24522.33 7719.00 36242.96 38812.84 30058.00 111805.93 17632.41
N-6-Trimethyllysine
212875.50 315357.00 163864.50 78719.00 135779.00 80968.55 141609.29 269093.50 147549.00 147929.00 101125.33 145743.33 56484.00 104859.00 96842.50 148545.50 242144.50 146741.33 72611.00 140240.50 105564.10 174671.38 293050.24 229129.40 107375.00 120685.86 103152.60 52363.00 191893.50 105750.38 170665.21 67693.00 120632.00 159759.00 124177.00 145946.39 159143.89 196471.00 114643.00 77018.50 121670.00 137737.70 181067.38 112879.00 108781.00 100645.00 94747.33 151739.00 142919.00 169225.55 201340.93 154321.00 120100.25 118642.67 125072.67 86180.00 176591.34 224209.56 158887.50 196058.13 129196.19
N-Acetylalanine
11296787.00 9750617.00 6793142.50 2728583.60 4305004.00 3225938.18 4851148.98 7602489.83 6379721.00 4144847.00 3965885.33 5764757.00 1850915.00 5358171.00 4543362.17 6479607.50 8363900.00 5805629.67 2893699.00 4836233.75 4363097.00 5280943.97 6728040.48 5499125.40 2847657.00 4928420.00 4540682.60 2260967.67 7533613.50 4468898.00 5315307.29 3782031.00 6459831.00 5639826.00 5400770.00 5540058.20 5808355.50 6739274.00 5230952.00 5057176.50 4594617.00 6249398.80 5636389.38 5003575.00 4520127.00 5241729.00 3893529.67 5763879.50 7460065.00 5666048.15 5887794.04 6514318.50 4882920.75 5506386.33 5375502.67 2160097.00 5948871.20 6047837.78 5717762.50 7895628.33 5315658.33
N-Acetylarginine
3975.00 78.00 1514.50 1310.40 1430.67 1304.36 2513.59 3667.53 1831.00 2052.00 2071.33 1577.00 654.00 2672.00 1369.00 1857.50 3054.00 2613.00 1250.00 1317.00 1369.40 3100.38 3885.39 2505.20 786.00 2444.43 2617.60 831.00 2189.50 2146.46 2905.57 1350.00 1983.00 982.00 2692.00 2808.10 2987.17 3791.00 1990.00 1384.00 1383.00 3531.13 2830.69 2348.00 1555.00 1599.00 1359.67 1825.00 2463.00 3336.55 2939.33 4127.00 2533.50 2279.33 1835.00 1071.00 4518.97 5094.81 3184.50 2826.55 1851.88
N-Acetylaspartic acid
19880.00 96903.00 7815.00 20130.20 7433.67 7419.45 32022.32 32445.00 30918.50 6823.00 4858.00 12557.67 7448.00 5401.00 8148.83 19088.00 8244.50 8200.33 28779.00 5297.25 11538.80 25354.67 19311.62 6582.40 14691.00 5668.83 5355.00 9416.33 9543.50 13089.85 9462.36 5490.00 9910.00 3685.00 7103.00 22125.15 10780.44 9182.00 6054.00 11998.00 29528.00 21010.50 28635.77 15138.00 13060.75 3520.00 6483.83 11321.50 19248.00 16666.48 12178.96 28690.00 11142.75 8932.33 6853.33 4750.00 16649.02 17646.11 9774.50 21909.03 15157.48
N-Acetylcadaverine
4969.00 6402.00 4001.00 285.40 513.00 364.09 2471.12 4634.17 1926.00 2286.00 1099.33 1567.00 256.00 443.00 349.17 613.50 1894.50 11826.00 745.00 1100.75 317.30 2300.03 3196.27 841.40 899.00 1004.29 434.60 154.67 1009.00 639.77 1582.57 538.00 875.00 704.00 506.00 1938.14 2307.83 1283.00 547.00 285.50 1383.00 2135.47 1619.08 954.00 2184.50 303.00 450.67 780.00 1019.00 1683.19 1620.78 2556.50 1179.75 2322.50 723.00 342.00 1721.93 2904.16 1224.50 2446.23 1682.38
N-Acetyl-D-galactosamine
51201.50 71756.00 33710.00 34758.60 34451.33 34742.18 21808.19 31152.44 28285.00 12695.00 23482.00 23235.00 10925.00 22974.00 21852.33 33166.00 39631.50 41776.00 32991.00 39875.50 28947.10 23522.41 30022.92 30022.20 5532.00 17496.57 21243.40 11221.67 36098.00 16842.08 33317.00 13174.00 26800.00 33279.00 25982.00 29226.75 38795.56 53965.00 21929.00 23169.00 45524.00 30231.83 29454.69 37298.00 23586.25 21827.00 45188.83 84925.50 60623.00 31435.19 39364.19 30041.00 32311.50 44245.00 33170.33 42865.00 26573.42 33003.78 25995.00 38242.97 35113.33
N-Acetyl-D-tryptophan
280.00 1234.00 663.00 - - 6.00 1062.80 1630.67 65.00 - - - - 105.00 234.50 - 628.00 939.00 - - 40.00 1159.61 1973.88 564.67 - 56.00 118.00 - - 792.33 2570.00 - 628.00 - 181.00 494.03 626.72 119.00 48.00 254.00 46.00 417.21 567.33 504.00 197.50 27.00 23.60 147.00 41.00 466.24 496.48 401.00 110.67 27.60 165.00 49.00 882.58 1526.48 7665.00 812.79 1033.04
N-Acetylglutamic acid
54092.00 50306.00 20493.50 18510.00 20851.00 12201.27 22426.14 28040.28 21101.50 4775.00 7297.67 20906.67 14116.00 13404.00 12450.17 23806.50 14356.50 21725.33 17564.00 23715.00 15206.70 19782.93 21472.17 8880.40 7912.00 12477.86 9410.60 16509.33 45711.50 11317.31 17997.00 11954.00 18795.00 8474.00 11115.00 25387.15 14160.22 11524.00 12001.00 13387.50 39480.00 19706.63 23097.31 19497.00 15886.25 7482.00 11103.17 11970.50 29031.00 17665.66 16996.00 27641.50 13556.25 11297.00 11263.67 6395.00 16846.04 16403.62 11226.00 32911.93 16255.15
N-Acetylglutamine
3865.00 1388.00 724.00 1474.40 1458.00 1382.27 840.74 1261.40 806.50 770.00 1336.67 3107.00 442.00 1265.00 1435.17 1905.50 2499.50 1341.67 1679.00 1178.50 1452.40 855.52 1146.68 1050.60 529.00 2598.43 1042.20 828.00 1791.00 989.00 1738.64 1184.00 2078.00 1025.00 2148.00 1431.49 1398.94 1413.00 2685.00 2864.00 2882.00 1634.13 1495.54 626.00 1206.25 935.00 1999.67 2934.50 3216.00 1466.91 1612.96 921.50 1791.75 2542.83 2559.00 696.00 1298.95 1244.18 1257.00 2106.33 2657.15
N-Acetylglycine
3591.50 5879.00 2509.00 1571.25 1164.33 1248.90 2289.01 2394.94 1568.50 1254.00 1099.00 650.67 627.00 7971.00 1126.67 611.00 662.50 1011.67 725.00 571.00 611.89 1197.59 1038.79 730.20 229.00 574.20 837.80 131.00 513.00 587.46 887.36 488.00 496.00 984.00 619.00 1164.63 1292.61 923.00 2503.00 322.50 550.00 1298.97 997.38 568.00 274.00 675.00 525.17 1541.50 245.00 873.97 1055.48 1644.50 1376.00 793.67 885.33 1255.00 891.23 842.67 743.00 714.47 630.88
N-Acetylhistamine
24.00 45.00 16.00 357.75 92.67 127.09 575.70 653.73 876.50 142.00 71.33 80.00 8.00 88.00 157.33 346.00 36.00 53.67 206.00 146.75 29.90 332.52 588.98 41.80 - 223.86 308.00 90.33 150.50 565.91 273.54 8.00 - - 71.00 1070.27 254.81 - 1670.00 124.00 22.00 896.38 184.09 220.00 591.33 - 26.50 167.00 - 631.49 945.75 2838.50 441.00 221.40 137.67 - 561.08 1258.56 - 75.50 451.26
N-acetylisoputreanine
31243046.00 32964816.00 13538897.50 4673007.80 7436059.33 5235149.82 13392054.75 52985299.72 10983185.00 10905370.00 12111907.33 29761008.33 3908050.00 10166933.00 9197657.50 9718040.50 43173547.50 16846914.33 3293392.00 8874006.25 7276200.50 12987307.33 24333032.68 15334706.80 4673116.00 11506898.86 7314464.80 3120042.67 23348052.00 7509789.77 10946127.00 8747772.00 23906536.00 20240635.00 8625462.00 11398072.95 15842585.61 15348648.00 9773207.00 6050075.00 7507637.00 14110912.33 17976097.08 16296036.00 6058118.25 5789221.00 5881774.33 11283944.50 5836436.00 11795680.99 15903297.59 10255870.50 8592035.75 8663526.00 6699178.33 2650722.00 15697082.80 19221556.11 12659060.50 15426027.00 10258502.74
N-Acetylisoputreanine
181556.50 191350.00 77041.00 26292.60 42684.00 29871.45 77314.19 308360.06 63201.50 62709.00 70184.00 172295.00 22499.00 58333.00 52400.83 55434.50 250194.50 97473.33 18798.00 50563.25 41050.70 75145.00 140792.25 89244.00 27581.00 65979.71 41972.20 17761.67 134416.50 43028.69 62871.00 50201.00 137406.00 114306.00 49563.00 65363.97 91121.11 87990.00 56085.00 34127.50 42379.00 81065.63 102930.00 94664.00 34809.25 33034.00 33466.00 64257.50 32303.00 67695.19 91543.56 59121.50 49504.25 49547.67 38724.67 15276.00 89953.77 110979.04 72771.50 88359.60 58975.48
N-Acetylleucine
1700.50 4801.00 2302.50 2236.20 3028.00 2517.36 4623.25 10759.42 3170.50 6816.00 3082.33 6676.33 1122.00 2430.00 1799.83 2077.50 3299.50 3290.33 1270.00 2684.50 1862.90 3423.94 5677.17 3039.20 1236.00 2934.14 1792.40 1661.67 2880.50 4106.77 2835.23 947.00 2681.00 1528.00 3079.00 10363.69 13229.78 7782.00 1424.00 7596.00 6357.00 8428.83 5917.38 3237.00 2046.00 14311.00 3551.50 2378.00 2870.00 10377.66 10648.96 3571.50 6230.25 3572.67 6343.67 3240.00 7235.57 9969.60 26367.00 12961.40 186516.04
N-Acetylmethionine
5279.00 33401.00 35034.50 1882.60 3153.00 1706.64 11044.44 14854.78 8102.00 7986.00 3545.00 9211.00 1478.00 11424.00 7772.67 7093.00 14653.00 6196.33 1412.00 5207.50 6550.20 10759.21 15742.81 7354.20 4995.00 3918.71 6346.20 838.00 9718.50 6419.15 5800.86 4339.00 10027.00 6416.00 4896.00 9108.53 8312.72 7364.00 4188.00 5999.00 4560.00 10481.00 13852.62 10157.00 5436.25 2416.00 2201.33 3850.00 10465.00 8831.44 8189.15 17607.00 5018.00 4639.50 3147.00 938.00 12345.21 12683.71 16136.00 15573.20 3381.48
N-Acetylmethionine sulfoxide
17794.00 92511.00 143684.00 6385.40 9546.67 6729.27 40056.29 54398.56 30305.50 27009.00 13221.67 31888.67 2818.00 30987.00 32039.17 22258.50 60048.50 20504.67 5481.00 16524.75 15971.33 40233.06 56255.00 26677.60 18440.00 16172.29 24105.60 3253.00 35083.50 22210.08 18961.93 15837.00 35184.00 26341.00 16028.00 32704.54 31757.22 32392.00 16149.00 22047.50 17849.00 35789.27 43134.31 34115.00 21748.50 6514.00 8394.00 12714.00 34948.00 34161.61 32180.41 51297.50 17956.25 19282.17 11654.33 2822.00 41300.88 43414.33 41559.50 59277.97 13290.15
N-Acetylneuraminic acid
20006.00 2086.00 2752.00 6589.40 6852.00 8191.82 2664.88 3804.39 2396.00 1524.00 4953.67 8149.00 3791.00 3828.00 4250.50 8852.00 16044.00 9271.67 8637.00 9801.75 9434.80 3003.75 2871.37 3704.00 1829.00 7369.71 4271.20 4667.00 19535.00 4124.46 6863.38 7721.00 50732.00 6694.00 7697.00 5185.71 6326.33 3381.00 2778.00 4097.00 15160.00 8111.24 7895.42 2330.00 3541.50 2614.00 10237.00 24962.00 68088.00 9425.59 13945.46 2146.50 8846.67 11816.00 14917.00 3481.00 6405.30 6350.98 4710.00 12767.07 19077.62
N-Acetylornithine
3007.00 2411.00 7543.00 4670.20 1200.67 1255.27 3950.95 5496.92 20754.00 1833.00 4597.50 1491.00 2166.00 4382.00 2205.00 4140.00 2294.50 6164.33 7851.00 1393.00 550.40 4068.38 3732.55 4422.20 521.00 1007.71 8648.00 771.00 720.00 2189.15 2452.07 1767.00 937.00 2750.00 477.00 3062.09 3273.06 16294.00 15.00 10587.00 696.00 4501.13 4421.15 5036.00 3764.00 6539.00 3317.67 36976.00 1970.00 4672.63 4181.48 5109.00 4615.75 1762.17 6811.33 548.00 5483.58 5237.62 1942.50 4500.23 1534.37
N-Acetylputrescine
105650.50 101091.00 130941.50 14060.60 11563.00 15059.18 70533.90 77132.53 62729.00 32989.00 16151.00 17693.33 5802.00 41972.00 17484.33 48567.50 35690.00 59607.33 17138.00 17285.00 12062.90 73527.48 83211.51 35955.60 43732.00 29347.86 27865.20 9195.67 19507.50 32646.62 34373.43 16384.00 59944.00 37726.00 17728.00 57993.08 50365.33 89804.00 41157.00 21006.00 12744.00 54542.80 47750.92 52070.00 65505.25 21021.00 24627.17 13619.00 16921.00 56576.86 47356.07 85351.50 33479.25 49496.00 26151.67 16479.00 54212.89 53071.07 32246.50 79127.63 25587.81
N-Acetylserine
4205.50 2697.00 1996.50 1537.60 1952.00 1873.18 1286.01 2151.75 1443.00 684.00 1757.33 1746.67 675.00 1746.00 1631.00 2826.50 3382.00 1862.33 1706.00 2667.75 1917.10 1368.66 1685.49 1588.60 442.00 2306.57 1691.60 1024.33 3253.50 1334.54 2128.93 1256.00 2663.00 1919.00 1810.00 1643.16 1810.50 3250.00 1707.00 2092.00 5517.00 1924.13 1839.69 1019.00 1302.25 1152.00 1766.50 5223.00 4941.00 1822.06 1909.44 1299.50 2482.25 1970.67 2178.33 795.00 1747.79 1701.29 1585.50 2942.00 2652.52
N-Acetylvaline
7814.00 14740.00 3897.50 1218.00 1603.33 1380.18 5245.20 17143.44 4288.00 4732.00 4247.67 5329.00 855.00 2197.00 1845.17 1877.50 7892.00 4905.33 707.00 2202.00 1216.10 5207.12 8642.63 3863.60 1225.00 2436.00 1443.40 723.33 3560.50 1896.00 4351.21 1552.00 2021.00 1720.00 1633.00 4161.24 6498.17 3065.00 1528.00 1593.00 2177.00 4451.80 5061.69 3604.00 2157.75 2621.00 1526.50 5766.00 2588.00 4051.81 4977.56 5319.00 2963.75 5086.00 2433.33 1026.00 5807.77 7273.11 3295.50 3598.83 7119.41
Neopterin
23874.00 14265.00 14003.50 926.00 12355.67 2006.56 19099.78 18867.42 25924.00 35092.00 14153.33 3561.67 4037.00 24535.00 12148.67 3483.00 17418.00 6207.00 24.00 6226.75 3262.00 21886.31 18319.34 24930.20 28357.00 8880.29 21703.40 2666.00 8816.00 14891.62 11441.14 13244.00 7256.00 17846.00 2634.00 16827.45 17640.29 18155.00 20156.00 2407.00 11941.00 12979.03 10703.38 13417.00 11812.75 5227.00 9783.75 3023.00 97.00 16541.33 11335.73 16969.50 10350.00 15823.00 3679.67 7800.00 11029.89 8918.80 7980.50 13041.73 4534.33
Niacinamide
5664.50 3238.00 3734.00 11162.80 27807.67 5685.00 17546.86 16796.78 12962.50 28746.00 15649.00 5772.00 6075.00 30259.00 20763.17 2167.00 18437.50 6640.00 61774.00 8511.50 19747.70 18049.30 23309.73 31754.60 7418.00 34833.71 14114.00 2519.00 2926.00 18518.62 20174.43 5020.00 892.00 5328.00 26116.00 19701.72 20235.06 33985.00 25966.00 60565.00 2343.00 20462.90 14520.62 4701.00 2723.00 24127.00 4356.50 2785.50 34791.00 20984.62 23347.56 21540.00 11720.00 31507.67 24339.33 26520.00 17047.23 17114.09 9088.50 73415.07 24047.11
Nicotinuric acid
- - - 713.00 - - 4670.10 43308.33 12.00 - - - - - 3474.50 - - - - - - 15938.21 2995.80 830.00 - 127.00 - - - 1401.00 249.25 - - - 2052.00 7034.15 886.00 5540.00 - 22.00 - 1106.60 1334.33 - - 138.00 - - 274.00 2748.69 4721.45 5269.00 - 4944.00 722.00 - 2583.05 1069.44 - - 1131.50
N-Lauroylglycine
2047.50 1450.00 392.00 1019.00 1106.67 768.27 1140.28 1040.33 742.00 211.00 706.00 1142.00 831.00 1044.00 978.67 1115.50 918.00 1377.33 881.00 1182.00 1116.78 1093.51 1021.03 988.00 688.00 864.57 874.00 826.67 1092.50 983.31 1121.00 655.00 1264.00 850.00 1380.00 1364.61 1534.44 1529.00 1176.00 1535.00 2797.00 999.50 2494.62 981.00 787.00 956.00 1174.67 637.50 677.00 1505.65 2318.00 1436.00 773.75 773.00 916.67 1482.00 1188.69 1840.71 2031.00 1915.80 2742.59
N-Methyl-proline
11120.00 3245.00 2202.00 265.80 358.33 555.64 11134.99 12884.81 2004.50 10506.00 969.33 576.33 207.00 4540.00 3244.83 390.50 669.50 1872.00 83.00 215.50 488.40 11044.27 9086.54 749.60 499.00 1970.00 16941.40 228.00 172.50 6479.23 12780.50 2335.00 920.00 4053.00 334.00 19842.61 15507.94 56419.00 781.00 1567.00 385.00 23916.47 22171.15 109807.00 5796.50 1226.00 267.17 1194.50 10823.00 21893.19 10687.15 5845.50 8650.75 2266.50 1310.67 184.00 20774.42 19944.33 2642.50 3746.90 3165.48
N-Myristoylglycine
1284.50 2293.00 1202.00 815.80 531.00 660.91 3075.56 2428.89 1625.00 920.00 1076.67 516.33 691.00 1023.00 1258.00 738.00 890.00 937.00 847.00 573.00 729.11 2905.42 4454.63 1197.00 869.00 882.14 1355.60 613.67 1229.50 1073.69 3975.36 1621.00 1925.00 1007.00 608.00 1705.02 1810.94 2963.00 674.00 911.00 397.00 1419.21 1686.77 1920.00 677.25 934.00 623.17 471.50 447.00 1780.31 1475.93 1520.00 989.25 693.00 581.67 312.00 3018.54 2672.67 1124.00 897.53 1275.44
N,N-Dicyclohexylamine
4523.00 1934.00 3697.00 8510.40 8861.33 4713.27 5877.85 5790.75 3551.50 4575.00 4826.00 3451.00 1864.00 425.00 6919.00 6004.00 12071.00 8847.33 394.00 4359.50 4108.00 5648.66 4546.14 4967.20 1387.00 6975.86 4672.20 2781.33 4091.00 4695.00 10549.64 4816.00 5182.00 3474.00 965.00 5530.06 2745.89 4005.00 2745.00 3047.00 423.00 4586.77 3660.62 3836.00 3153.25 3543.00 4832.83 775.50 768.00 3922.67 4039.93 2163.50 12000.50 4599.83 2235.67 2851.00 3311.81 4385.87 2409.00 4102.57 3592.78
N,N-dimethylhexadecylamine
4927.00 4083.00 6966.50 6595.20 8708.67 6045.36 7009.13 6654.78 14181.50 3855.00 5859.67 7197.67 4609.00 5575.00 7525.83 4517.50 4351.50 6965.67 4737.00 7460.50 15144.60 6109.39 6420.00 5399.00 4863.00 12429.86 7272.80 7493.67 4579.50 5935.85 7429.71 4761.00 5598.00 3840.00 7062.00 9480.59 6709.61 9830.00 6574.00 3418.50 6944.00 13054.10 645874.23 4192.00 4686.00 4550.00 6850.33 6037.50 7414.00 13451.64 13536.37 29667.50 3887.50 4310.83 4209.33 11837.00 7431.70 10425.60 5811.50 10988.53 7741.85
O-Ethylhomoserine
7540.00 7656.00 8294.00 6921.00 6166.00 5825.55 8869.73 9365.22 10277.50 6797.00 7857.00 5529.00 5936.00 10087.00 7531.83 6510.00 7567.00 7848.67 7065.00 5905.25 5972.20 9125.54 9747.25 8348.20 7369.00 6817.43 9300.00 6185.00 6284.00 8496.62 7784.79 6697.00 6884.00 7610.00 6021.00 7852.64 7967.17 9520.00 5829.00 7610.50 5881.00 8619.73 9153.08 7388.00 7983.25 8796.00 7571.83 6892.00 7814.00 8727.32 8604.33 8441.50 8474.75 7602.00 7805.67 4997.00 9980.94 9757.78 7162.50 8741.10 6564.00
Oleoyl-EA
3361.50 16940.00 3095.50 4848.40 3743.00 3962.91 6662.57 6243.11 5080.50 3612.00 2929.00 8552.67 14076.00 3708.00 3950.50 5013.50 7085.00 11740.33 923.00 5096.50 4677.00 6498.31 8149.28 5465.20 4742.00 4161.29 4108.00 4237.00 4455.50 6107.62 8478.86 3672.00 9304.00 9990.00 6990.00 6705.40 6980.22 9855.00 7454.00 8089.50 4699.00 6597.53 9144.15 5015.00 5208.00 7039.00 9696.00 2643.00 4515.00 7587.32 8105.52 4530.00 2554.75 4385.33 4310.33 1717.00 7565.62 7811.51 7172.50 6842.33 6207.41
Ornithine
74493.50 134733.00 56213.00 9114.20 8930.00 8661.64 41850.39 56378.00 28078.00 9369.00 19175.67 18868.00 4606.00 35124.00 11434.67 16466.00 13460.50 47354.33 13151.00 13222.75 8305.70 50894.27 72258.79 20673.40 5307.00 6894.29 17715.60 5275.00 6307.00 14688.00 36293.29 5757.00 8089.00 16343.00 10666.00 29121.63 24499.94 23628.00 5719.00 8882.00 7443.00 30372.77 33169.46 13673.00 18763.50 15334.00 8639.17 67117.00 21403.00 31840.33 28368.33 58471.00 28685.75 9091.83 9731.33 6605.00 49952.84 47785.60 26904.50 115814.07 15710.37
p-Acetamidophenylglucuronide
15991.00 23949.00 51729.50 3049.33 8907.33 11479.43 125850.90 227921.89 25.00 41706.00 9152.67 51354.00 - 95258.00 39405.33 103.50 90976.50 53806.00 17707.00 5802.00 7718.40 132047.58 208838.80 153527.00 - 34859.50 129889.50 - 32895.50 63896.42 62867.77 90328.00 345353.00 142482.00 2888.00 255640.31 279136.71 2725.00 21941.00 32848.00 121912.00 228020.17 100978.69 1327577.00 287078.50 241680.00 366660.33 215488.00 65771.00 261932.05 384921.31 399297.50 123955.50 266851.50 118377.00 20194.00 319001.89 166245.65 17872.00 193827.17 81512.96
Pantothenic acid
277478.00 266022.00 97837.50 85747.40 47283.00 110314.55 145128.97 217702.31 100799.00 89677.00 100171.33 60242.67 49524.00 455535.00 102994.00 149189.50 157340.50 129086.33 29673.00 46553.75 52558.30 160887.16 181202.97 126143.00 55881.00 126239.43 134440.20 61105.33 49060.00 151238.31 125329.64 32892.00 136053.00 88919.00 84422.00 260599.35 259069.11 85924.00 190531.00 458753.50 71994.00 295253.77 282642.77 206191.00 165331.00 658136.00 142466.33 304823.00 272118.00 257139.89 319563.22 214449.00 175725.00 205781.67 242653.33 96833.00 325900.22 331389.20 281070.50 215752.77 177595.78
Pantothenol
542.00 602.00 1386.50 2523.20 12190.00 30136.09 14465.56 10738.86 7294.00 4122.00 2471.33 1961.67 1196.00 866.00 1302.50 713.50 1583.50 12297.33 30037.00 1449.00 14978.78 12023.03 25155.16 3151.00 - 15858.14 7504.20 508.67 926.50 5590.31 42919.36 61.00 13.00 174.00 3199.00 4205.50 3091.88 52.00 12.00 349.00 122.00 12970.69 1223.46 22519.00 418.00 1527.00 8323.50 72.50 4015.00 1924.97 1329.35 2083.50 1512.00 756.17 20898.00 8516.00 2861.05 2855.81 404.00 353.21 1653.30
Paraxanthine
14271.50 144412.00 6635.00 46709.20 73776.67 25816.00 47437.93 15427.78 50171.50 21.00 6353.67 6350.00 5177.00 14432.00 80634.17 70784.50 87313.50 28644.00 13183.00 52969.00 6710.70 40945.73 34793.76 21512.80 - 53542.14 54273.40 67268.33 55852.00 32917.15 30983.07 25471.00 58.00 61637.00 107.00 19758.03 9642.11 30.00 7839.00 589.00 6551.00 88056.63 152455.46 30393.00 30123.00 205593.00 66598.33 503.50 46271.00 29120.25 19476.37 29100.00 32389.25 26032.00 52553.33 625.00 72115.85 37907.69 793.50 81898.43 15927.37
PC 30:0
85224.50 151302.00 190483.00 12504.00 12907.00 11984.18 109613.72 60090.75 30957.00 45594.00 26798.33 8554.33 3720.00 49433.00 36236.67 20975.50 32611.50 118258.33 8160.00 18341.25 11738.50 109790.34 194152.79 39251.20 5904.00 16063.43 55172.80 4733.00 12880.50 25787.08 186893.79 27669.00 109860.00 70981.00 15989.00 53178.01 62940.22 54640.00 13232.00 22009.50 21121.00 41468.17 69164.46 49614.00 42618.50 31454.00 14806.00 57480.50 62215.00 67781.21 68144.26 66865.50 36794.50 22752.50 26058.00 15597.00 118843.72 162050.40 29980.50 109910.60 47229.26
PC 30:1
275.00 409.00 7194.50 34.00 - 37.50 3131.24 1113.16 290.00 - 294.00 82.00 - 390.00 1875.00 89.00 - 13257.00 - 69.00 118.00 4872.24 10178.71 198.00 - 165.00 2328.33 - - 135.56 10147.43 - 3218.00 406.00 - 1295.40 1466.43 - - 276.00 - 1010.87 2167.00 166.00 1887.25 - 459.00 1854.00 298.00 1300.86 3533.53 1234.50 2494.50 219.80 144.00 - 3124.94 7960.74 124.00 4670.26 4954.46
PC 31:0
5420.50 54646.00 20335.50 909.00 360.00 588.00 21543.95 9219.27 6286.00 7380.00 4127.33 153.33 - 4991.00 4246.00 986.50 846.00 11527.00 359.00 1002.50 512.60 26495.54 41681.40 4235.00 - 2221.50 6723.20 121.00 731.00 2237.25 38527.00 930.00 23023.00 8442.00 1127.00 7780.35 11731.33 7540.00 1100.00 3635.50 1355.00 4922.30 12231.85 5465.00 4430.50 4284.00 795.00 6152.50 7361.00 13439.13 9676.85 15462.50 3684.50 2907.60 2425.67 1384.00 21835.15 40984.20 2643.50 13024.50 7830.77
PC 32:0
773068.00 1923576.00 1207751.50 102967.40 127828.67 81234.82 897566.60 504921.44 224781.50 352337.00 217468.33 71207.33 41090.00 308317.00 296214.17 156235.00 309924.50 867046.00 86523.00 127323.75 99617.30 944126.82 1346462.21 308448.40 49154.00 135814.57 390017.80 50275.33 106575.00 180752.54 1115363.71 156411.00 1284368.00 461795.00 150165.00 391311.73 534405.00 471991.00 87550.00 193363.50 149603.00 297829.37 675344.00 324576.00 224614.50 287832.00 99876.83 573540.50 390120.00 569298.22 400415.33 365043.00 223854.25 176506.00 174627.67 108613.00 892474.18 1270934.87 219672.50 1006279.07 402303.96
PC 32:2
9203.50 3071.00 26600.50 1183.00 - 445.00 10339.03 3848.88 2869.00 961.00 2102.50 - - 1022.00 5682.00 5236.00 2118.00 41366.50 - 323.00 88.00 12900.42 18543.18 1579.40 - 1033.67 3192.80 - - 1135.36 21211.67 191.00 20485.00 2939.00 490.00 2845.01 3550.44 686.00 368.00 417.50 274.00 2498.60 6405.58 1232.00 6881.00 526.00 494.25 9242.00 5474.00 3256.90 5299.12 3035.50 4228.33 1057.00 738.67 123.00 6558.12 8500.02 462.00 19080.32 15841.67
PC 33:0
1223.50 11254.00 7908.50 72.00 162.00 231.50 25225.91 3087.72 930.00 1385.00 124.00 195.00 - 567.00 1959.00 456.00 987.00 1441.00 - 257.00 1038.75 48288.37 35937.11 198.25 - 893.67 3180.75 - 584.00 2712.67 59850.11 843.00 20841.00 1494.00 278.00 2595.07 4346.47 1165.00 - 129.50 676.00 1016.50 6662.73 439.00 3150.00 623.00 176.60 5353.00 4767.00 5168.93 2753.67 5108.00 409.75 392.80 231.00 305.00 8398.49 9833.91 111.50 7332.17 4523.12
PC 34:1
5831628.50 5685734.00 7461815.50 722590.00 861382.67 489117.27 4387671.92 2926263.39 1303537.00 1700804.00 1035832.00 463437.33 289523.00 1327585.00 2716443.83 1081585.00 2263280.50 6498563.67 575508.00 685461.50 642360.80 3933012.71 6126343.55 1343186.80 247867.00 660416.71 2323021.80 322818.33 561265.00 1025208.69 5302665.36 869070.00 5645930.00 3050765.00 595946.00 1845638.55 2352170.61 1809547.00 374674.00 750277.50 939573.00 1665936.90 3166949.23 1897746.00 2289263.00 961270.00 701323.67 3718139.00 2364435.00 2075228.83 1946671.52 1484169.00 1251043.50 910343.50 900767.00 594098.00 3739214.42 3864005.56 935587.00 6062080.23 3689382.00
PC 34:2
4291277.00 2225818.00 4790343.50 108245.80 297675.00 48375.73 2474996.32 1393838.44 517493.00 377517.00 175346.33 43381.67 24426.00 373633.00 1616462.50 641395.00 1915494.00 5890145.00 47942.00 72674.75 52275.30 1731747.84 2202870.34 436494.20 35119.00 62138.29 559348.40 23173.00 41732.50 315369.92 1721914.36 360562.00 2489870.00 1440050.00 93593.00 531648.51 585433.67 263468.00 39972.00 103607.50 154210.00 741739.20 1258165.08 688408.00 1235070.00 134203.00 132144.00 998902.50 719657.00 509828.97 584204.37 676996.50 522633.25 164642.83 152355.33 61732.00 1143857.25 1086404.69 239892.50 3165482.20 2464339.56
PC 34:3
217172.50 468914.00 264286.00 11134.20 25734.00 5822.27 117333.10 93267.22 35668.50 35634.00 28003.67 4450.67 2488.00 40960.00 44030.33 28566.50 92204.50 218918.67 3156.00 12977.25 5293.40 133400.65 186456.03 52266.40 2098.00 13067.14 51314.20 2075.33 16221.00 24888.08 100670.50 15075.00 202842.00 73850.00 23330.00 65313.50 86829.78 101607.00 8767.00 23696.50 13621.00 65252.27 126132.23 71727.00 51895.50 44384.00 10043.33 54862.50 55026.00 74111.46 73872.37 51494.50 33582.75 20559.17 24384.67 7683.00 121063.25 122035.13 45001.00 201657.20 98761.52
PC 34:4
84539.50 83370.00 99962.00 2717.60 9248.00 1309.10 28865.61 27935.89 9515.50 8716.00 8391.00 695.00 299.00 13456.00 13012.33 4577.00 26842.50 55522.00 163.00 2852.00 979.43 33336.32 54177.99 16286.20 447.00 4675.00 16661.40 258.00 1383.00 9175.50 24798.29 2271.00 73317.00 31370.00 6271.00 19961.67 25844.44 26916.00 1833.00 5082.50 2466.00 20828.97 34025.85 25332.00 17984.25 10384.00 2904.67 12394.00 20514.00 21045.90 25757.26 16246.50 11004.25 5421.33 7022.00 1400.00 32163.06 35679.91 14411.00 52346.53 22569.50
PC 36:2
1947232.00 1387035.00 2065531.50 87033.60 141543.67 45875.91 1426324.82 718855.69 403648.00 298852.00 198908.00 46850.00 24064.00 259126.00 663227.17 373303.50 703788.00 2220188.67 49093.00 68682.00 51181.20 1282943.59 1748176.00 286918.40 33466.00 70862.29 543261.20 24551.67 43779.00 222487.08 1475654.43 234406.00 1708821.00 806010.00 78524.00 384544.32 493550.78 311413.00 48942.00 113448.50 99178.00 459702.17 785801.85 388632.00 713965.75 143356.00 108221.00 765777.00 500071.00 452643.06 393381.89 420362.00 284216.50 146010.33 134678.67 63485.00 991842.68 1038876.02 178564.00 2239663.20 1268238.70
PC 36:4
1516629.00 1362213.00 2227395.50 112956.20 205555.33 65539.18 1223450.00 830789.75 458495.50 327571.00 243726.33 41060.33 25161.00 270939.00 567330.83 328778.50 522820.00 1729745.00 63499.00 85539.25 68685.20 1105536.30 1323773.23 307508.80 32663.00 110087.14 527422.60 34859.33 60833.50 229936.31 820424.29 230957.00 2093233.00 1106094.00 151567.00 498542.14 689377.78 467921.00 59615.00 166782.50 133476.00 545533.97 983201.92 637431.00 875055.25 319312.00 139018.17 916217.00 693069.00 537522.56 605612.22 409438.50 449124.50 215143.00 209054.67 76373.00 857914.61 801508.33 277430.00 1960734.27 1084628.48
PC P-32:0 or PC O-32:1
86878.50 295510.00 155243.50 6816.00 2765.33 4374.90 86229.74 53810.31 20397.00 24358.00 11364.00 1227.67 1709.00 24016.00 28564.67 7775.00 9373.00 123636.33 2827.00 8666.25 4074.00 85093.09 173715.17 20674.00 333.00 6566.83 29982.20 1113.50 1398.00 12804.77 145094.71 2555.00 259120.00 34562.00 7701.00 31739.65 45949.00 32548.00 6065.00 7446.00 3241.00 24113.03 58776.38 28760.00 25205.00 14711.00 5115.83 38876.50 27558.00 44012.15 36771.04 31380.00 14395.75 9098.50 7801.33 5388.00 79552.06 104784.89 19252.50 145754.50 41990.85
PC P-34:0 or PC O-34:1
241731.00 520202.00 436058.50 23293.40 20545.00 15470.82 376465.15 216874.94 90190.00 85081.00 45468.67 10934.00 10098.00 90597.00 113955.17 27222.50 64729.00 304840.33 12642.00 28316.25 16739.80 369180.51 651719.11 91499.60 9616.00 22661.00 145116.00 6015.33 10703.00 52276.54 600540.21 21538.00 357259.00 111074.00 24220.00 110449.23 153013.61 122411.00 20609.00 23401.50 15280.00 88880.03 159689.08 98943.00 63143.50 55322.00 16651.17 120733.50 69572.00 142520.47 105707.30 109217.50 44439.25 33075.00 31059.00 21152.00 332319.92 286421.82 62679.00 612081.73 110276.26
PC P-34:2 or PC O-34:3
60507.50 43170.00 71319.50 2764.67 7129.00 835.43 49446.36 23479.42 11938.50 4553.00 2317.33 75.00 - 5949.00 23648.67 25155.00 10628.00 131624.00 124.00 1785.00 360.83 45001.17 73598.28 5222.40 - 1005.33 12409.60 - - 5589.55 48483.23 2140.00 39774.00 13794.00 1191.00 11547.67 11508.94 3516.00 73.00 774.00 971.00 11766.10 28910.25 11341.00 18126.00 1654.00 2357.00 33192.00 7868.00 11628.93 10906.41 12877.50 7458.75 1772.60 1376.33 696.00 25243.90 23690.77 4471.00 73122.73 91517.88
PC P-34:3 or PC O-34:4
4392.50 17816.00 10816.00 131.00 - 334.00 5369.16 5002.17 827.00 211.00 138.00 - - 148.00 1123.33 106.00 - 9961.67 - 389.00 - 6932.73 9099.49 1013.67 - - 4637.00 - - 358.50 11008.40 - 14648.00 151.00 51.00 1890.18 1934.17 1367.00 - - - 1771.53 2853.00 2025.00 836.00 - - 90.00 606.00 1859.33 1510.73 483.50 955.00 167.00 95.00 - 2912.39 2882.95 715.50 5064.52 2064.88
PC P-36:4 or PC O-36:5
73144.00 137405.00 124470.00 7449.40 5481.00 3766.60 140107.98 60283.03 38391.50 41097.00 36821.67 288.00 419.00 17952.00 30185.17 19567.50 3831.00 149107.00 1237.00 4788.75 2780.10 153251.70 196838.84 27326.20 1001.00 14871.33 46341.00 415.67 271.00 15153.46 175160.79 8864.00 291614.00 50779.00 17368.00 45350.32 88076.83 40602.00 7095.00 23785.50 1344.00 37437.00 87886.69 37556.00 56168.75 26198.00 8117.83 66693.00 49015.00 58898.71 56768.00 31591.00 29051.75 15631.67 12317.00 4507.00 87891.15 140922.47 14229.50 160196.73 105223.89
PC P-38:4 or PC O-38:5
74726.50 211674.00 156991.50 5025.40 4971.00 2150.20 267190.19 125632.92 96319.00 73514.00 53359.67 919.33 153.00 39529.00 53951.00 32296.00 3908.50 139883.33 1147.00 3404.50 2648.33 327242.07 398499.10 62072.60 7905.00 13969.57 115449.00 443.50 302.00 30366.15 325276.79 13797.00 540001.00 65449.00 24282.00 78958.55 145858.67 74270.00 14532.00 28251.00 3407.00 67221.33 114511.00 49296.00 48951.25 38913.00 7215.83 116494.00 46558.00 111764.93 78186.00 95072.50 40753.75 26321.00 21039.33 7061.00 169951.56 164088.29 28694.50 203148.03 121971.46
PC P-38:5 or PC O-38:6
24047.00 38310.00 52411.50 1131.67 2299.00 896.67 82123.09 43856.88 22634.00 28186.00 18137.00 77.00 - 11745.00 23007.60 10193.00 353.00 40129.33 - 332.00 651.00 95227.02 121166.30 13974.80 1279.00 2345.20 26507.80 - - 7681.83 85980.54 609.00 121567.00 21556.00 5937.00 30700.93 59505.33 60186.00 2044.00 6574.00 328.00 26268.27 36491.67 23828.00 19230.25 7739.00 1365.17 53925.00 16358.00 40070.80 27205.67 22573.00 16093.25 7464.17 4028.67 1632.00 54223.86 55334.50 7877.50 71307.34 36726.12
PC P-38:6 or PC O-38:7
1348.50 2063.00 8662.00 84.00 - 97.00 12102.67 6241.55 1882.00 3912.00 2303.50 - - 379.00 2964.80 608.00 - 15340.50 - - 52.00 19425.37 16966.62 990.75 - 1893.00 3234.00 - - 1320.00 43318.00 - 14897.00 1677.00 - 4805.33 14245.77 4488.00 - 718.00 - 4458.56 8167.22 1118.00 5942.50 395.00 231.50 8347.00 584.00 8277.60 4158.68 932.00 5367.50 403.50 - - 9502.94 13448.65 - 13823.22 35289.71
PE 34:1
26349.00 15777.00 42538.00 372.00 15235.00 57.00 13834.90 8280.70 433.50 - 233.00 - - 171.00 8450.20 5423.00 39709.00 10681.00 - 70.00 - 7740.12 11811.68 3770.33 - 282.00 1952.50 - - 1994.83 17629.86 626.00 12027.00 1379.00 - 2398.99 31493.15 328.00 - 1108.00 181.00 1945.46 100829.00 - 6567.33 - 258.33 18606.00 2211.00 6380.94 3653.52 1275.00 1011.00 145.67 433.00 - 7299.17 4803.18 605.50 40398.31 632997.18
PE 34:2
11844.00 7695.00 38922.00 1479.00 24462.00 - 19067.16 7561.75 684.50 - 98.00 - - 154.00 17588.25 7272.00 58086.00 8796.00 - - - 9530.38 8604.91 5302.67 - - 1531.25 - - 2014.17 21287.60 - 10158.00 1160.00 - 2189.63 2192.45 - - 328.00 - 3251.70 6363.43 234.00 10852.50 - 277.00 5960.00 3367.00 1397.70 2291.29 4531.00 4227.00 150.00 85.00 - 4292.23 3793.26 960.00 17559.12 48944.17
PE 36:2
38784.00 31849.00 67632.00 1534.00 53499.00 157.00 25517.68 14583.63 3998.50 - 2400.00 - - 1136.00 32983.60 15053.00 90802.00 16776.67 - 609.00 187.00 15166.19 24366.25 7141.00 - 134.00 5090.40 - - 4115.40 31814.62 1476.00 26025.00 6183.00 - 3701.42 5872.50 552.00 - 999.00 975.00 6460.11 7877.15 875.00 12477.75 - 700.25 11427.00 8219.00 2919.52 6486.92 6748.50 2077.75 453.00 575.33 98.00 9696.58 10314.23 5028.00 64415.00 32188.08
PE 36:4
11389.50 12640.00 37392.50 2053.00 17940.00 - 21128.01 11450.97 2307.00 788.00 97.00 - - 639.00 16143.80 4042.00 37687.00 13775.00 - 119.50 310.00 12925.31 11267.00 3870.33 - - 5379.33 - - 2403.25 18066.71 566.00 16005.00 5929.00 - 2659.19 3434.33 - - 333.50 106.00 4082.69 6433.00 1555.00 7683.25 - 971.00 16276.00 4804.00 2491.29 3016.52 7376.00 2187.00 436.25 427.50 - 6094.35 5303.11 1849.00 21230.97 44175.11
PE 38:4
43261.00 36830.00 95207.00 2933.60 19523.67 1555.10 38120.48 29397.03 10600.50 5281.00 2217.33 919.67 - 5982.00 26160.83 11455.50 36143.00 23060.67 1688.00 2967.00 1989.62 29096.05 39476.57 7258.80 - 1976.00 15106.20 889.00 939.00 6782.92 32036.64 7898.00 55876.00 22653.00 1847.00 9311.08 11818.28 2492.00 258.00 4033.00 8289.00 13421.23 17347.31 8715.00 22739.25 2750.00 2994.50 25025.50 20641.00 9043.44 11792.70 13558.00 10413.50 4021.17 5526.67 1015.00 19662.03 18941.36 4322.00 98432.00 25814.04
PE 38:6
17941.50 9341.00 50374.50 1245.60 9737.00 511.29 18864.25 12680.32 1476.50 3066.00 299.50 240.00 - 2871.00 15032.83 4621.50 14224.00 6347.00 250.00 808.00 747.38 11527.30 10456.81 5635.00 - 729.50 2160.60 - 249.00 3175.60 9425.33 1310.00 25269.00 13363.00 634.00 5215.42 6840.06 331.00 - 1431.00 5496.00 7540.47 9895.23 4074.00 17920.75 117.00 1841.83 22613.50 18089.00 4835.10 5644.44 6444.00 8175.00 5369.00 2429.33 325.00 8229.95 8827.79 1996.00 33590.83 31929.78
PE 40:6
25624.50 5506.00 34584.50 6120.50 7219.67 6814.20 9578.14 8393.08 1360.50 1615.00 2085.00 4836.67 534.00 6520.00 13345.50 11881.50 11040.50 9028.67 6801.00 6246.50 6171.33 8281.19 9703.34 3268.50 - 5814.29 8011.20 3508.67 5228.00 3925.73 12990.29 6799.00 20533.00 12811.00 5603.00 7952.10 6327.44 2531.00 364.00 8953.00 23955.00 8561.93 12320.08 2388.00 10303.75 2270.00 8934.50 29269.00 37680.00 7834.41 8546.04 12610.00 10183.50 8957.00 9453.33 3226.00 9237.82 10710.48 3649.50 35502.53 20915.59
PE P-34:1 or PE O-34:2
69888.50 85054.00 97683.00 2283.00 1173.00 1263.00 19432.15 20549.91 5549.50 1325.00 2885.33 226.33 314.00 4835.00 9252.00 9078.50 16525.50 42851.33 715.00 2411.25 1606.90 19308.97 41141.79 4390.00 222.00 1443.20 6620.00 374.00 136.00 3611.83 24755.71 1296.00 16253.00 9577.00 1543.00 5775.43 11132.67 4956.00 674.00 1134.00 2002.00 5845.07 8277.08 2244.00 7909.75 1383.00 1996.67 8921.00 10419.00 6526.62 12749.89 4655.00 2147.00 2117.80 1957.67 1948.00 14740.22 14696.18 5085.50 146837.00 2694.72
PE P-34:2 or PE O-34:3
14989.50 16500.00 48634.50 400.00 - - 9255.84 6358.72 1010.00 - 908.00 - - - 1738.33 6876.00 13917.00 39487.50 - - 228.00 8143.97 15433.35 403.33 - - 3929.00 - - 780.83 32498.40 - 1833.00 273.00 - 1416.05 1553.64 - - - - 897.19 1816.00 - 4588.33 - 455.00 4725.00 688.00 1492.59 2189.71 494.00 792.50 141.00 - - 6095.88 3182.61 443.00 51922.82 3056.33
PE P-36:2 or PE O-36:3
37541.50 37374.00 62663.50 1625.25 563.00 1162.14 15757.77 12222.60 4691.50 - 8421.00 162.00 126.00 3212.00 6758.50 8718.00 10301.00 46820.33 758.00 1481.75 1119.00 15301.24 30412.07 2469.20 - 1119.40 7014.00 112.00 - 3095.58 18215.62 450.00 11449.00 9054.00 502.00 4561.48 6989.44 1962.00 563.00 721.00 2240.00 4541.13 5461.77 1306.00 11219.00 184.00 2692.67 12040.00 8645.00 4975.45 8418.70 2059.00 2386.00 1325.00 1412.33 1106.00 10027.75 8967.53 2985.50 89584.10 2650.96
PE P-36:4 or PE O-36:5
107734.50 100521.00 142544.00 2775.80 2417.67 1645.00 73902.36 69378.72 22975.00 8903.00 6921.33 1420.00 529.00 7486.00 24548.83 28550.50 20664.50 79901.33 891.00 2859.25 1404.00 70370.66 132078.42 10321.80 1453.00 3104.33 21088.20 718.00 428.00 7745.62 87950.86 8113.00 43796.00 29960.00 2502.00 20913.39 25634.61 17290.00 2047.00 7386.00 3700.00 19074.93 18816.54 39268.00 34717.50 4931.00 5202.33 24943.50 15625.00 22323.29 25178.41 27628.50 11837.50 6907.17 5571.33 3143.00 42909.82 44082.96 7245.00 251921.33 11199.38
PE P-38:4 or PE O-38:5
114026.00 121320.00 161630.50 6984.60 6521.00 5425.91 71364.39 70969.97 29300.00 5176.00 11834.00 3172.67 462.00 14944.00 34148.00 34257.50 26715.00 91382.67 5481.00 9190.25 6096.40 71940.08 127363.63 11781.80 1595.00 6336.71 30265.40 2470.00 3795.50 13303.15 86348.00 9889.00 61426.00 51488.00 5804.00 26709.51 28789.83 11682.00 2670.00 10747.50 16209.00 25989.10 28283.15 36957.00 61015.00 9620.00 13630.33 52387.50 34042.00 29741.60 32410.30 29930.00 19797.75 11285.00 10885.33 8402.00 51702.83 46013.38 10959.00 351626.67 18328.56
PE P-38:5 or PE O-38:6
48014.50 42937.00 71048.00 3109.80 2209.67 1906.50 49513.86 40190.83 18906.50 3980.00 8541.67 842.50 115.00 7557.00 17969.67 15015.50 8729.50 46572.67 1015.00 2164.00 1481.00 49163.79 82236.57 7823.00 789.00 2941.71 21272.20 277.00 262.00 7903.75 54520.00 3614.00 36158.00 28355.00 2519.00 17263.41 20898.56 9608.00 2258.00 5709.50 5522.00 15349.67 16211.15 17027.00 36476.00 4471.00 6484.67 34675.50 16341.00 19550.87 20071.81 20946.50 11457.00 5471.67 5430.67 4427.00 31949.56 29390.11 5394.50 136264.57 11030.73
PE P-38:6 or PE O-38:7
42874.50 20767.00 52503.50 5121.80 2747.33 4172.00 36878.74 30011.44 10768.00 7707.00 6226.33 1833.00 584.00 10299.00 19302.50 14038.00 7338.50 37078.00 5437.00 4425.25 4749.00 33090.28 49358.01 7379.20 833.00 3795.29 17191.20 1803.00 1745.00 6031.15 33898.36 6088.00 24485.00 31854.00 5718.00 17132.53 21051.78 18568.00 2108.00 8045.50 11573.00 16279.90 15323.92 24823.00 23757.00 4705.00 9653.67 30728.50 25649.00 19640.16 20950.93 12174.00 14406.00 8642.67 7489.00 5521.00 26373.61 28151.82 7798.50 83410.57 13718.00
PE P-40:6 or PE O-40:7
60005.50 19340.00 53130.00 19828.20 15406.33 18374.45 35223.12 35500.11 18525.50 5957.00 20610.00 13787.00 5129.00 28400.00 38115.33 35930.00 27911.50 40921.33 27291.00 22454.25 20632.30 34419.06 46580.43 13690.80 2520.00 18567.29 36257.80 12184.67 17837.00 16925.85 42626.86 16770.00 34046.00 62476.00 14405.00 30861.18 25825.11 29357.00 6469.00 23409.50 59918.00 31055.67 32154.77 14563.00 32583.25 8028.00 30250.00 85622.50 77507.00 33818.58 33625.12 22292.50 30539.25 25226.33 25226.00 18681.00 35476.57 32199.76 19874.50 118234.40 29258.41
Phenacetyl carnitine (putative)
12274.00 53086.00 6629.00 76.33 541.67 142.67 74036.15 79767.46 57243.50 6619.00 18512.00 4051.00 1645.00 4445.00 6003.75 682.00 5983.00 8139.33 42.00 2431.25 181.22 45702.24 93303.26 5942.40 3656.00 6099.57 1351.40 221.00 1137.00 13149.36 71901.75 981.00 1206.00 9652.00 1058.00 16559.51 19524.61 1099.00 179.00 482.00 325.00 20052.57 22792.27 7073.00 3816.67 3651.00 410.33 399.50 1911.00 19683.73 12901.70 21511.00 5489.75 2805.67 774.50 - 30794.62 54757.19 5353.50 4315.82 6861.95
Phenylalanine
444342366.50 832361801.00 232733347.00 51724900.60 188507362.00 28305985.73 129832773.50 216823866.08 70976701.50 49879394.00 39926422.33 40944475.00 18536931.00 83485766.00 55377079.33 69027557.50 531179863.00 217581996.67 24880721.00 49617134.75 40142136.50 155732467.38 246733007.54 122567698.60 22326681.00 47761464.71 56458343.00 14660923.67 107381169.50 72651146.69 105795346.21 22616055.00 104682607.00 81078495.00 79863041.00 114815888.18 127806859.89 130166991.00 47226565.00 62080618.50 52671187.00 120712933.67 190419458.38 114712681.00 79916161.75 94163491.00 39312507.00 49969236.00 70463385.00 135900287.47 138487726.63 177748698.00 70583867.25 48473357.83 47846194.00 22608603.00 178260090.36 200489081.56 169666140.00 243065786.10 54629424.96
Phenylalanine-d8 [iSTD]
113515881.00 103449484.00 103389134.00 83643760.80 89720765.33 83111895.09 93578671.83 96824415.44 90819501.50 86713902.00 84557401.33 81065566.33 75642797.00 92886791.00 90188941.67 93692654.50 111156030.50 97108161.00 82017446.00 88462468.25 87085925.80 94906491.05 99199941.92 97765423.20 81810312.00 88673595.57 91170613.60 81161248.67 92462342.50 88879464.00 93038108.57 82919427.00 103815656.00 98997148.00 85545803.00 95131130.10 97059008.61 99531391.00 92134412.00 89929808.50 86871686.00 98338198.53 100856358.00 91627643.00 95340641.50 92999178.00 91046282.67 89889232.00 90234021.00 96515046.86 94639109.59 89255706.00 91723280.00 94226089.67 85326762.33 85427151.00 98743860.06 98589183.02 95351469.50 104420627.53 93578291.33
Phytosphingosine
545298.50 388244.00 228490.00 312514.50 107612.00 137332.82 424272.07 403758.71 513150.00 368631.00 409165.33 241970.00 70669.00 624814.00 222401.00 569407.00 204324.50 418901.33 128806.00 470102.00 165792.30 410322.87 562141.01 286390.40 448264.00 221474.00 295996.40 216356.33 171598.50 282366.91 255884.71 165223.00 - 34.00 - 457.15 656.25 - - - - 87.50 211.67 - 69.00 - 27.00 - - 652.32 88.20 - - - - - 632.28 31727.40 - 397.72 395.87
Pipecolic acid
5606.00 21383.00 9219.50 589.40 1381.67 787.82 17824.33 20607.47 5010.00 2628.00 2350.00 4434.67 627.00 1792.00 2569.83 1645.50 5234.00 4522.33 878.00 1851.75 3196.90 19846.44 37600.69 7887.20 1560.00 1749.00 2880.40 615.00 2704.50 3540.38 7820.79 1491.00 3691.00 3777.00 1054.00 7434.69 6909.61 3291.00 884.00 1234.00 401.00 8199.00 7240.69 6309.00 4694.50 2500.00 2452.17 1067.00 1757.00 8801.98 6160.96 20240.50 3826.75 1330.50 1140.33 374.00 12693.69 15779.18 5760.50 5752.13 2248.67
Piperine
3731.50 125.00 69.00 2369.75 123.00 3311.22 5428.97 1902.21 4451.00 80.00 1852.50 80.00 - 10652.00 1233.25 4743.00 318.00 81.00 - 1419.00 81.50 4852.64 1821.54 218.25 - 997.50 26210.00 7813.00 - 8199.88 6313.14 - 55.00 - 71.00 7547.09 1775.35 2566.00 393.00 597.00 3124.00 3746.07 4204.38 3255.00 11073.00 729.00 735.50 68.00 232.00 20333.00 6325.65 13929.00 3868.67 1067.00 183.33 - 7372.10 9587.47 50.00 27612.08 2131.06
Pro-hydroxyPro
1964.00 36263.00 4399.00 1203.40 1726.67 1981.00 12704.47 23848.83 20327.00 8614.00 8570.67 13868.33 4432.00 4368.00 7518.33 2051.00 7193.50 5305.67 437.00 1670.50 2163.00 11151.88 18791.42 11033.00 2192.00 2128.43 4607.00 667.67 3274.00 3340.00 8457.31 1820.00 1592.00 6716.00 1739.00 7417.49 9293.11 8750.00 3560.00 924.00 23.00 5940.10 10145.00 6837.00 1600.00 7620.00 958.33 5391.50 1867.00 7128.94 8275.15 5193.00 4233.75 2451.67 2347.33 532.00 9842.69 12237.47 12127.00 2437.70 2416.74
Proline
1029331.00 3370577.00 1416518.00 11490.80 9900.67 11546.00 808702.93 846073.86 306745.00 172124.00 112505.67 59415.00 4163.00 360211.00 119100.67 36248.50 80605.50 783121.00 10246.00 7797.25 9790.10 703339.45 1065437.77 269958.00 83338.00 29146.14 168401.80 5141.67 12709.00 236798.85 348649.57 78195.00 217029.00 121351.00 94184.00 417569.27 354268.83 233336.00 39934.00 52824.50 22683.00 550874.73 504500.38 361548.00 179412.50 159021.00 15288.00 26163.50 98612.00 439649.09 379485.85 1200755.00 422709.75 39895.33 72317.67 7170.00 705878.91 822205.93 302874.00 645743.13 104034.11
Proline betaine
276174.00 30983.00 11935.50 72743.20 10000.00 129711.09 288000.60 518151.31 151390.50 924438.00 43570.67 34000.67 13182.00 625160.00 348532.00 44461.00 45688.00 75701.00 4738.00 16940.75 41419.00 283264.69 191032.49 59342.60 15960.00 135485.57 1973147.80 27752.00 2562.50 494156.31 473339.64 731647.00 7343.00 662435.00 190467.00 721429.70 907552.11 2411062.00 66533.00 302515.50 10540.00 984164.17 644996.15 4467064.00 400534.75 27068.00 41541.17 297604.50 572876.00 850723.61 403228.67 92198.50 558703.75 295563.17 118376.00 8441.00 834551.60 550887.69 12289.00 275837.03 464161.67
Pseudouridine
932921.00 1048258.00 808470.50 709469.00 834804.00 927649.55 840788.36 1748983.78 708422.50 686815.00 840123.00 2558992.33 649668.00 1017567.00 1109035.00 1386193.50 1665424.00 831470.33 582502.00 700614.00 674524.10 795670.62 1308474.52 997400.60 377563.00 679974.86 951330.80 384152.00 1115523.00 669124.69 775377.36 582521.00 949314.00 970007.00 727953.00 752847.91 887514.06 735420.00 559274.00 527418.00 646383.00 834626.87 923040.00 1180496.00 584237.75 997926.00 667844.83 1818923.00 1069957.00 804071.35 1046088.96 747112.00 729152.25 851080.83 735239.67 670527.00 869242.09 944099.44 641949.00 822157.30 770656.48
Pterin
11663.00 3473.00 1840.50 500.00 1124.67 508.89 4192.90 4219.76 5355.00 51.00 1189.00 251.50 1472.00 362.00 2611.17 4255.00 3278.50 1303.00 137.00 1179.00 981.50 5108.17 4867.96 1247.60 1073.00 267.60 621.67 831.50 2056.00 1979.46 1904.92 52.00 2981.00 2367.00 5213.00 6750.50 3972.00 12302.00 2240.00 766.50 849.00 3945.37 3284.38 7537.00 13142.75 1692.00 803.50 894.50 317.00 6215.27 5655.08 6532.50 2151.50 2781.50 1563.33 3356.00 4470.58 4041.27 3392.00 10416.90 779.00
Putrescine
1518.00 2055.00 914.00 954.40 584.67 931.27 1199.75 1446.22 3395.50 1211.00 444.00 741.00 243.00 1073.00 557.50 1135.50 900.50 515.67 3125.00 514.00 794.60 1526.10 2205.68 1449.80 301.00 3161.00 3027.20 498.00 905.50 1166.23 1281.71 698.00 785.00 655.00 1747.00 1849.23 1469.22 4982.00 2363.00 2583.00 721.00 2148.40 1528.46 1289.00 641.25 2823.00 1798.83 1876.50 2104.00 2404.90 2070.85 1167.00 1427.25 3550.67 1633.67 693.00 2040.96 2185.18 2129.00 2192.77 1459.96
Pyridoxamine
48359.50 115669.00 25774.00 1583.20 1452.67 2407.09 23057.44 28141.83 10661.50 5035.00 6184.67 1171.33 1212.00 22837.00 3247.67 4126.50 7500.00 15802.00 2992.00 2346.75 3282.20 29271.97 40090.23 16411.60 1961.00 2304.86 6014.00 1280.00 4662.50 7908.38 21119.50 2041.00 4708.00 5290.00 10900.00 19414.69 18784.11 14085.00 2828.00 4598.50 2812.00 19816.37 17376.38 7058.00 8808.50 11225.00 5101.00 3626.00 15625.00 21914.83 18492.15 28348.00 20341.50 5793.67 5372.00 3560.00 25203.18 27180.38 14146.50 42083.73 6283.37
Pyridoxine
358.00 403.00 56.00 43.00 123.67 270.50 3106.18 4355.57 102.00 - 77.50 199.00 92.00 521.00 408.80 116.50 88.00 343.67 - 135.50 130.00 1022.46 2212.73 139.40 34.00 265.00 85.67 89.00 14.00 352.30 479.77 - - 1430.00 157.00 1247.19 205.06 16.00 175.00 1285.00 15.00 1399.18 32.80 9.00 56.25 263.00 2225.25 49.00 1092.00 2638.93 5756.04 2584.00 26.25 242.17 183.67 19.00 10642.87 10209.86 400.00 689.79 6421.56
Pyroglutamic acid
15286.00 13315.00 7805.00 4538.80 61457.33 4024.45 7752.69 9618.47 8239.50 4664.00 4873.00 5576.67 2135.00 5815.00 5955.67 6360.00 16876.50 8668.33 4681.00 4294.50 4806.00 8389.23 11565.32 8123.40 1926.00 5030.86 4679.60 2544.67 11001.50 5414.38 6866.29 3224.00 5581.00 7430.00 6795.00 14867.90 13263.67 39004.00 7957.00 13040.50 7446.00 18847.87 20063.08 13749.00 6281.75 11565.00 5323.00 6568.00 12933.00 13804.36 18595.44 9572.00 7084.75 6802.83 11141.33 4510.00 17974.09 20332.58 31913.50 12878.73 25610.44
Ranitidine
365240.00 606949.00 35112.00 16.00 42292.00 51856.50 212125.00 367436.18 126644.00 - - 551.00 - 215105.00 145973.00 33792.00 - 170550.00 33051.00 - 5547.00 238354.71 329165.93 15513.00 - 7138.00 2336.67 - - 77119.43 53699.30 - - 8083.00 - 48389.60 536.00 455.00 - - - 1023.67 480.00 - - - 531.00 - - 74024.83 791.50 419.00 - - 1354.50 - 3627.17 5968.60 - 5517.75 -
Ribothymidine
28729.00 31929.00 29168.00 24174.60 16997.00 24035.82 24156.55 29924.64 18073.00 9362.00 9086.00 19277.00 9621.00 20563.00 14341.67 43860.00 34252.00 18326.67 31149.00 17172.75 21497.40 23574.02 27593.65 17602.40 8487.00 17470.86 17779.80 11725.33 22591.00 15564.62 20981.57 12674.00 20360.00 23813.00 19483.00 26375.40 28777.78 21593.00 21787.00 20063.50 24108.00 25687.77 25187.15 33887.00 26075.00 29385.00 36181.00 35384.00 40470.00 27145.72 31398.15 26354.00 18802.25 22556.17 22432.33 14910.00 25597.82 25395.73 24002.00 30168.37 17468.33
Serine
24209.50 59217.00 10436.50 8507.00 10312.67 8175.64 11366.09 11646.50 8093.50 4593.00 6072.00 7371.33 5407.00 13386.00 9696.33 8738.00 8139.50 12888.33 10685.00 7935.75 8412.20 10690.29 11872.03 9574.60 2260.00 3586.00 6481.00 7151.33 10864.50 6402.38 8775.50 3989.00 13140.00 3349.00 11312.00 8491.47 9577.67 5623.00 4625.00 5518.50 6227.00 9616.47 9023.08 3269.00 4010.25 4418.00 8317.00 9863.50 11099.00 9944.73 8602.96 12378.00 9336.75 3785.17 4358.00 7190.00 9333.35 9694.22 13721.50 17319.20 5260.19
SM 18:1;O2/14:0
23926.00 23513.00 37361.50 403.75 1248.00 761.20 62704.82 27014.67 21009.00 15856.00 5991.00 128.50 - 10739.00 11653.67 5578.00 3765.00 22206.33 - 1022.00 542.60 51925.43 89752.96 10913.20 1075.00 2682.71 23576.80 120.00 344.00 6426.08 94231.00 6131.00 37781.00 21628.00 2700.00 18364.63 23441.61 18421.00 421.00 2185.50 1308.00 14090.00 25267.82 17554.00 10526.25 2075.00 3300.50 24874.00 11669.00 23253.51 16070.67 20586.00 10022.50 8045.60 3598.00 268.00 53958.78 66204.86 1891.00 39326.31 41532.96
SM 18:1;O2/15:0
829.50 1410.00 2921.00 - - 151.00 6339.69 1732.00 2985.00 649.00 175.00 - - - 1269.33 119.00 - 2078.50 - - - 4952.65 7845.24 163.00 - 38.00 2112.50 - - 227.40 17746.00 - 5631.00 - - 3007.09 2707.10 - - - - 2001.80 4943.33 - 1500.00 - - 1707.00 2670.00 4329.38 2857.17 849.50 358.00 - - - 9356.83 9736.43 - 4542.85 29068.20
SM 18:1;O2/16:0
262255.00 268406.00 425152.00 13087.40 18289.67 8154.18 579164.06 238266.03 171947.50 133736.00 60270.67 6216.00 4586.00 80794.00 135967.33 38690.00 49261.00 287642.67 7486.00 18220.25 9772.90 404998.74 680105.03 98428.40 17334.00 28668.71 147417.80 2612.33 8444.00 57018.08 566247.57 51764.00 422444.00 168130.00 12372.00 132432.39 183726.33 146807.00 14135.00 27679.00 11878.00 120215.60 172289.92 167236.00 77076.50 36271.00 12852.33 149831.00 78444.00 182416.77 120136.52 127104.00 72170.50 40159.50 30622.00 10627.00 445305.82 386390.16 38279.00 320861.33 414074.41
SM 18:1;O2/16:1
23927.50 12460.00 46294.00 550.00 1227.00 359.25 39922.44 13058.94 8224.00 4311.00 1441.67 59.00 - 1243.00 6734.40 5125.00 7765.00 36200.00 - 333.50 657.00 23742.78 42703.54 5193.00 - 668.60 6411.40 90.00 - 1939.54 58103.10 1036.00 26675.00 7249.00 211.00 8293.53 12119.80 3701.00 - - - 6593.84 10145.18 10806.00 7539.00 - 1405.00 20644.00 5086.00 10941.32 6414.28 4732.50 5402.00 1456.00 474.00 - 28287.01 26094.71 - 25835.14 68951.80
SM 18:1;O2/18:0
63145.50 13833.00 119389.50 6606.80 7954.00 4885.00 110886.49 35390.06 15512.00 22814.00 9577.67 6286.33 3425.00 23058.00 40453.00 9509.00 16561.00 79984.33 2619.00 12038.00 7794.80 65434.55 126556.01 9732.00 - 5687.00 30488.60 3186.33 6603.50 13134.15 135003.57 6778.00 51410.00 45706.00 6985.00 22669.44 26168.06 22076.00 3350.00 9829.00 18873.00 23765.27 38644.62 23637.00 20930.00 7038.00 11549.33 61544.50 37933.00 25658.03 24946.74 15176.50 16613.75 12642.83 13260.33 10075.00 52241.82 37927.36 12072.50 52386.27 53816.93
SM 18:1;O2/18:1
32178.50 2233.00 97118.00 1193.00 331.00 440.00 69196.10 12175.26 4502.00 - 1141.00 - - 1843.00 10118.67 864.00 - 61927.00 - 714.50 2063.00 57025.90 91275.28 832.00 - - 4119.00 - - 6718.20 480919.50 - 8776.00 9285.00 201.00 3237.73 4726.65 2936.00 - 363.00 1047.00 2811.63 4822.08 2038.00 4328.25 307.00 903.40 8217.50 3752.00 4012.27 3832.26 1891.00 2610.25 1051.80 564.67 535.00 9559.09 6695.79 1039.50 10677.23 13715.19
SM 18:1;O2/18:3
1032891.50 998310.00 1199814.00 80178.00 102425.67 50025.36 1155810.02 902715.08 775395.00 420531.00 292889.00 25321.00 28015.00 368962.00 510026.83 227239.00 240786.50 981692.33 50834.00 99526.00 57653.60 972398.87 1396911.76 422954.00 83609.00 144348.57 665268.60 22112.33 49491.50 259268.77 926530.57 219661.00 1508789.00 754393.00 100534.00 523308.57 721451.17 668457.00 80411.00 165370.50 89987.00 542254.03 688953.23 645668.00 362500.75 211420.00 84688.50 630064.00 422794.00 569030.92 508813.74 546205.50 328124.75 229133.33 185082.33 76349.00 1060305.39 962652.09 206237.00 1089352.60 657005.63
SM 18:1;O2/20:0
37304.50 21030.00 40269.50 2787.00 2105.00 1903.11 48876.45 18570.78 15254.00 8713.00 1463.67 760.33 981.00 8455.00 15168.67 8354.50 3635.50 57096.67 190.00 3187.00 982.40 31460.09 57793.69 4810.80 396.00 1747.83 14410.20 399.00 244.00 5075.08 66863.46 3741.00 26485.00 17917.00 1582.00 11324.15 13763.17 8926.00 208.00 1932.00 3719.00 12635.80 21009.77 15836.00 14411.75 3152.00 2619.83 24096.00 16345.00 14056.99 13152.48 9645.00 9936.75 5255.60 3123.33 2297.00 33572.77 23792.38 4818.00 41920.73 50616.44
SM 18:1;O2/22:0
80757.50 48512.00 111150.00 2624.40 3737.33 1824.25 76353.85 39026.86 30869.00 12135.00 2779.67 189.33 496.00 12840.00 28967.83 33916.00 5629.00 112496.33 195.00 3910.75 1013.62 55516.66 92504.96 10302.00 - 1736.40 21619.40 - 254.00 8691.69 91560.54 3475.00 52191.00 28040.00 1468.00 18446.66 21730.28 15191.00 198.00 2748.00 2357.00 20706.77 37267.92 28101.00 21962.25 3659.00 4642.40 77022.00 23523.00 22678.91 21096.70 16198.00 14940.75 6819.80 4549.33 2394.00 57490.80 42661.36 6978.00 78933.30 92509.85
SM 18:1;O2/22:1
97614.00 53083.00 124068.00 4430.40 3876.67 2916.60 116140.31 38446.75 25119.50 18382.00 5684.33 469.00 1476.00 17284.00 25167.50 14293.50 9208.00 135759.00 536.00 5171.50 1765.50 79033.50 145396.16 12267.80 170.00 3100.14 26540.80 158.50 460.00 10123.85 200604.23 5785.00 60420.00 36295.00 4180.00 25092.25 30435.67 19947.00 841.00 3890.50 3788.00 22618.57 39168.31 28985.00 27160.25 6467.00 5453.17 42066.50 28733.00 33277.39 26203.67 22789.00 15658.75 8154.83 5923.33 4748.00 78282.69 66231.67 9597.50 88006.93 128666.63
SM 18:1;O2/22:3
8038.50 4353.00 7145.50 604.75 561.33 407.29 7837.84 3669.49 3054.50 1167.00 287.33 38.00 144.00 1634.00 3224.67 1738.00 918.00 13952.33 107.00 605.00 359.83 5355.15 9253.82 782.60 - 333.75 2763.40 132.00 137.00 954.67 8632.92 442.00 5604.00 2338.00 - 1851.00 2313.69 647.00 - 482.00 350.00 2345.10 4438.40 2891.00 2806.50 126.00 765.20 12428.00 2827.00 2349.23 2445.12 1053.00 1457.00 703.25 801.00 - 4651.94 3155.62 532.00 8670.14 8043.94
S-Methylcysteine S-oxide
93685.50 76343.00 68757.50 83458.00 83296.33 89760.73 80440.91 85880.11 101072.50 68069.00 74190.67 72777.00 59939.00 93905.00 72786.67 109700.00 95560.50 78031.67 101890.00 86777.50 90637.60 81471.99 81811.45 88319.40 66783.00 83648.86 82021.20 72183.00 87320.00 81345.46 91350.71 64124.00 72817.00 90655.00 92506.00 88519.04 90625.17 81992.00 104404.00 99197.50 91333.00 89017.97 85413.08 75102.00 89917.50 96327.00 104678.17 104300.00 100149.00 90687.35 90116.26 85595.00 95122.25 109166.67 97022.33 99757.00 83914.91 84744.18 89207.50 90955.50 87275.89
sn-Glycero-3-phosphocholine
38785.50 26561.00 18541.50 1009.80 1101.33 1009.00 24645.73 20007.08 9461.50 10397.00 5526.67 852.67 1310.00 2880.00 4139.50 946.00 5768.00 9604.33 1201.00 1134.00 1218.10 19186.75 21905.79 12579.80 7028.00 33119.29 7469.40 1014.33 1457.50 9395.31 12863.21 4989.00 1118.00 1022.00 2570.00 9471.19 6759.11 3201.00 8356.00 20815.00 1138.00 8230.03 9949.77 3522.00 6261.00 804.00 861.00 1477.00 814.00 8825.13 5585.67 10593.50 7568.50 4060.67 1859.67 762.00 15663.85 14269.07 2713.00 35950.80 38299.81
Sphinganine
8666.00 7960.00 65526.00 86673.20 71443.33 36938.64 240853.66 217680.00 325792.50 200469.00 312487.00 28451.00 31517.00 100327.00 38329.50 24692.50 75289.00 39925.67 45974.00 73118.75 49688.50 235655.60 223584.08 52666.20 82467.00 92567.57 93734.00 46803.33 61056.50 74524.92 61097.21 40231.00 975.00 342.00 179.00 690.71 1075.67 415.00 578.00 584.50 211.00 602.53 806.54 1559.00 797.75 284.00 518.50 459.50 435.00 813.90 570.26 444.50 334.00 594.17 266.33 162.00 1055.38 1789.31 289.00 18560.40 1252.59
Sphingosine
9604.50 35795.00 12808.00 20082.60 13183.67 17460.91 33917.19 21645.47 10040.00 17895.00 22577.33 25572.67 26919.00 23687.00 23354.50 5356.00 15620.50 19571.33 10829.00 13720.50 18035.40 21559.52 20086.61 23036.40 24765.00 15981.71 23909.60 9562.00 12836.50 16675.77 21041.07 23222.00 38068.00 27312.00 28739.00 37135.24 19695.83 2835.00 30128.00 801969.00 2375.00 16969.43 23590.46 49763.00 32508.25 45947.00 21902.33 10644.00 26103.00 38083.55 11950.22 3258.00 13732.00 109205.33 18383.33 1987.00 39261.62 28135.73 12086.00 54861.63 35626.67
Stearamide
14180.50 40164.00 17725.50 26500.20 19415.67 27905.45 28892.50 37374.64 18908.50 36903.00 33035.67 25744.33 38097.00 23184.00 30385.50 13890.50 20959.50 23540.33 22921.00 21266.25 38706.70 30111.37 27360.86 30831.00 23709.00 23767.43 37630.00 21027.00 33901.00 31380.69 34342.86 37591.00 46568.00 94668.00 36717.00 36346.43 19923.61 69857.00 42143.00 35029.00 915.00 27196.80 44991.23 28972.00 44295.25 51871.00 37628.50 17934.00 49616.00 33097.08 37841.30 59289.00 13771.00 28733.83 32516.33 1381.00 35833.71 46417.44 31650.50 24437.60 24810.19
Sulfamethoxazole
10391.00 9963.00 6689.00 9892.40 7229.33 21164.27 88028.55 476938.53 14154.00 9093800.00 1184535.33 7225546.33 7609.00 5669.00 4714660.50 11158.50 4795501.50 11442.00 9270.00 8806.75 356412.20 167506.77 11817.32 9379.00 442650.00 3118036.00 2198835.60 1223595.33 187534.00 3413562.54 840017.07 4192569.00 9044.00 9404.00 7722.00 72688.27 3135855.56 976.00 8942.00 16083596.00 14466.00 8803210.63 9903435.69 15669951.00 685996.75 14409.00 9797.83 21151.50 9384.00 77153.56 12436.67 15275.00 1716841.25 13409.50 9792.67 17220.00 6027843.54 6371937.38 2286526.50 12299.17 1391997.26
Symmetric dimethyl-arginine
42781901.50 82849101.00 26450107.00 14468789.60 15127750.00 12078072.64 25880755.94 51620033.58 14952867.00 10073895.00 13611975.33 22150998.00 7113414.00 19262190.00 18354941.17 24136728.50 39462931.00 28942780.33 8286580.00 8631323.00 8514345.20 26737544.77 39681309.01 20693439.20 13719130.00 10743280.71 17379554.60 4102693.67 18865485.00 11871962.00 22246901.93 12437350.00 23055253.00 22575959.00 8122789.00 17880503.01 18915237.72 22751052.00 6050296.00 7224306.00 13259979.00 20413706.30 24809837.69 16440682.00 12914157.25 11075176.00 8980295.83 30359640.50 7275469.00 18819312.14 21875774.41 26617217.00 14622609.50 11962019.50 11476086.33 8047046.00 25726749.12 29836595.04 13566090.50 27126955.93 13405072.33
Targinine
61629.50 101404.00 38842.00 4807.60 4968.33 4993.09 46061.25 49764.92 33182.50 13483.00 18915.00 4501.33 2557.00 41343.00 11592.17 13180.50 12733.00 27979.67 4710.00 5534.00 4785.30 47268.56 62863.72 26197.40 6401.00 8637.57 28617.40 3041.67 5443.50 18836.54 28068.79 6257.00 11293.00 17386.00 21762.00 34698.63 37772.50 42097.00 9757.00 13079.00 5564.00 35336.97 35299.23 26593.00 17087.00 28474.00 8651.83 9733.00 14899.00 37318.64 30906.93 56376.50 31290.50 15445.83 13258.00 4258.00 46852.10 48217.31 27806.50 36401.77 14033.04
Taurine
329757.00 800824.00 524521.50 33973.00 12710.00 30898.55 120806.03 145410.75 39082.50 40719.00 47290.00 13387.67 7235.00 96238.00 37087.83 145055.00 252042.50 188957.67 32440.00 11498.50 14600.30 118574.59 133659.18 60365.40 27781.00 15108.29 52252.20 15745.33 4412.50 46947.23 59696.21 57238.00 76120.00 80535.00 81769.00 96571.31 123565.22 128729.00 16210.00 47707.50 31072.00 111407.00 96715.23 133577.00 115873.75 50496.00 46056.67 46464.00 51274.00 115112.47 89413.78 174947.50 77004.25 34517.00 51650.00 23322.00 148436.64 143213.29 96040.00 641471.83 39946.37
Tetradecylamine
43715.50 13906.00 38763.50 97153.00 45217.33 53154.64 75470.23 88245.47 51816.00 31092.00 26841.67 17321.67 26011.00 49285.00 77625.17 19997.00 132811.50 43025.67 52581.00 54966.75 103556.90 68628.80 50775.51 72990.00 275715.00 53227.00 67587.80 35492.67 53799.50 44644.23 61936.29 49748.00 39892.00 200326.00 21343.00 69225.85 72245.61 54605.00 56178.00 30598.50 51478.00 70212.27 86710.69 24688.00 38228.50 40243.00 109642.33 42297.50 28015.00 70538.48 67259.67 45873.00 73069.25 41860.33 59740.67 86352.00 70516.50 89228.89 48682.00 70808.03 72230.22
Thiamine
11709.50 19469.00 27346.50 12971.80 1897.00 9183.00 18284.29 15515.28 12147.50 1058.00 1474.33 1092.00 1093.00 7009.00 5987.17 42375.50 12717.50 8976.00 8176.00 2556.50 6753.70 17904.85 11280.76 7541.00 666.00 14517.43 5139.40 5570.00 1565.50 11386.00 7190.29 4918.00 22540.00 193494.00 11303.00 29573.46 31467.50 78.00 367.00 14310.00 9697.00 18171.60 15735.38 2945.00 9623.50 11033.00 18938.83 38124.00 71752.00 24777.67 32569.81 9954.50 7994.25 44739.50 13165.33 11852.00 25635.69 18046.69 10417.00 12708.30 10581.00
Thr-Arg
2313.00 - - - - - 715.67 808.33 - - - - - - 44.00 - - 1870.00 - - - 218.31 223.24 - - 261.50 - - - - 125.00 - - - - 375.05 266.00 - - - - 510.45 1238.17 - - 28.00 - - 19.00 221.98 219.70 122.00 75.00 - 22.00 - 791.12 1080.76 324.50 29221.62 202.56
Threonine
87950.50 172699.00 59311.00 16653.80 20628.33 21666.45 53985.44 53229.08 45704.00 31584.00 30481.67 33180.33 11411.00 58080.00 28258.17 22972.50 25938.00 57907.00 22754.00 19138.75 19904.30 56235.99 66741.38 65162.60 11370.00 18480.14 27677.00 19078.33 22258.50 32161.00 37031.43 10512.00 48466.00 26444.00 46808.00 43261.52 47707.39 36507.00 27225.00 29339.00 11367.00 42000.83 40168.15 14426.00 20707.00 25392.00 22147.33 21174.50 33459.00 47454.55 41646.59 49925.00 27478.50 19790.33 21407.67 12940.00 44871.62 49358.98 43796.00 60528.23 16860.81
trans-3-Hydroxycotinine
224.00 1916.00 41.00 620.00 324.50 638.78 928.63 999.87 31.00 334.00 1238.00 833.50 1481.00 169.00 143.50 235501.00 16262.50 41800.67 16.00 606.50 7838.00 2919.81 3287.56 901.67 - 875.67 112.75 - 2198.50 2783.00 917.55 16.00 1358.00 9.00 - 195.68 264.75 - - - 50.00 5601.91 45288.44 107.00 17799.75 51.00 183160.67 3251.00 4379.00 4917.45 6987.81 23978.00 59.50 1411.00 14718.67 57.00 17369.36 11850.80 3510.00 25783.89 4868.82
Tributylamine
101793.50 106472.00 121355.00 117983.80 114966.67 110722.82 112569.82 110397.08 104011.00 125879.00 109912.67 112819.00 107340.00 110209.00 120758.67 108498.50 109094.50 110194.33 95128.00 117512.00 110929.50 110968.73 110615.73 106565.60 118447.00 118173.29 109879.60 125400.67 113098.00 116267.69 108447.00 117398.00 124257.00 105131.00 106293.00 106501.85 108106.33 113069.00 114949.00 107191.00 104336.00 106184.73 103754.08 106968.00 108872.25 100968.00 103417.17 110162.50 103614.00 107508.51 104705.22 106370.50 106792.25 103972.83 102974.67 96042.00 106504.38 106237.98 106508.50 106510.00 107498.52
Tridecylamine
10724.00 5228.00 5677.00 22245.20 14268.00 7061.64 10666.02 8343.69 5903.00 7389.00 10727.00 6675.00 4899.00 2927.00 10005.67 4501.50 22403.00 7028.00 3611.00 12793.00 28554.00 12396.77 8148.17 9905.80 3997.00 13069.00 7572.20 6466.00 5411.50 9005.92 12412.86 7623.00 8121.00 8158.00 4026.00 9169.67 10261.94 6572.00 7763.00 5292.50 11606.00 8365.80 6987.15 7307.00 6079.75 11212.00 13165.33 5261.00 4592.00 9239.16 7612.33 8965.50 7795.50 7326.67 5444.33 9616.00 9891.11 8935.22 6884.50 8637.57 8732.52
Triethanolamine
22769.00 10488.00 19020.00 26039.00 29462.67 16849.91 26702.45 43081.14 25856.50 7460.00 10182.33 11066.67 31483.00 14343.00 20410.17 24443.50 36210.50 18322.00 48701.00 34520.50 26254.30 28764.05 19865.55 13317.40 5950.00 33721.57 16393.00 20326.00 18684.00 24208.08 18791.57 7847.00 16548.00 33802.00 12316.00 17630.11 15347.33 4423.00 10815.00 18260.00 18519.00 69023.23 19702.92 23058.00 9826.00 66486.00 27990.67 6695.00 21546.00 19784.61 12725.19 15076.00 9535.75 13613.33 17407.67 19594.00 20999.27 15461.36 23255.50 15074.80 18222.22
Trigonelline
5413.50 13194.00 3763.50 2031.20 1226.00 11206.36 12310.97 10952.70 5964.00 2435.00 7675.33 802.00 781.00 3745.00 5375.17 4733.00 14355.00 19268.33 1315.00 1156.00 1637.70 7923.06 7447.18 3424.40 715.00 2155.29 17688.80 1408.00 1311.00 4607.31 5064.00 966.00 267.00 1255.00 2041.00 9283.87 10757.22 11913.00 1567.00 9076.50 1603.00 11705.17 8368.31 14428.00 6077.75 14691.00 4119.50 6433.00 9128.00 8676.77 5564.44 43844.00 2726.50 2722.50 3000.67 735.00 12300.08 10061.78 1932.00 6639.21 5110.70
Trimethylamine N-oxide
12947794.00 10686984.00 8219509.50 55148978.80 6764883.67 34414188.64 28275761.23 73118161.06 53298870.50 16194500.00 36067613.00 78112238.00 25380228.00 18378421.00 57735510.67 37105650.00 105164930.50 23880238.33 10442427.00 21936530.50 11923339.40 27269157.66 36092511.21 19417113.40 7875432.00 30546620.29 13509731.60 8005904.67 29454282.00 19717687.62 28235698.50 39947768.00 7805717.00 15922412.00 9297398.00 17431130.63 20289319.00 3097356.00 6456135.00 1922994.00 15343188.00 36321725.67 32842171.92 49921119.00 35709770.75 6288920.00 23173524.83 40935732.00 5179856.00 20824831.42 25727668.37 14532822.00 20393768.25 24942033.17 12869190.33 17533092.00 22817692.25 39914603.20 16684519.50 21973143.53 22524865.67
Tryptophan
3284084.50 140580917.00 12245194.00 4081331.80 3185911.33 3247891.55 3146771.15 6849676.86 514198.00 514726.00 508758.67 2921512.33 804218.00 302494.00 1806795.17 5092181.00 10161074.50 10688303.00 4741020.00 4258618.50 4215010.80 6714501.94 11743214.73 3224817.40 258351.00 3594118.71 766432.20 1857956.33 4219365.00 2550910.15 6377776.79 179012.00 4067827.00 456248.00 8473877.00 2763654.53 4928864.22 670927.00 1299913.00 2248025.50 58924.00 3074612.43 6071519.69 275378.00 2164448.00 1167611.00 4630238.00 5837003.50 8314358.00 5343112.74 5623478.41 1551254.50 7727287.50 1235447.50 1144093.67 860315.00 4906870.35 12096192.36 7370596.50 16712224.13 9642422.89
Tyrosine
54272810.50 116454358.00 40462255.50 4884164.40 6819956.00 4505814.45 22234825.78 27049276.61 14872137.00 6931191.00 6005374.33 5640851.00 2354866.00 11332444.00 7940582.33 9966381.50 15795114.00 29756118.67 4637376.00 7259246.50 6251557.90 25955546.37 40673921.97 21656654.00 3998980.00 7257024.14 8620460.80 3203364.67 8435320.50 12132138.15 19708446.07 2243232.00 15774619.00 7118386.00 19987212.00 19881496.65 20602510.00 29158283.00 7646137.00 11205708.00 2943402.00 21134042.77 21471130.46 9019127.00 12557278.75 20993742.00 7667749.83 5402855.00 13638430.00 23166458.42 19887419.89 31403725.50 14590664.00 8653994.83 11153451.67 2327677.00 28160149.15 33623299.89 18426038.50 37751240.43 9723201.30
Unknown_of_interest_TF21
287639.50 1407.00 90678.50 516701.80 126353.67 564925.73 161482.90 191688.29 416538.50 4139.00 124409.33 67164.00 76341.00 261472.00 131178.80 481601.00 303311.00 235751.33 2076420.00 253432.00 279263.50 196668.69 111341.82 217386.20 161516.00 389732.29 148593.00 239865.33 88942.50 248878.54 341868.54 224671.00 263851.00 263026.00 306649.00 194422.21 146204.78 378902.00 163141.00 260134.50 522130.00 186773.83 76458.38 65366.00 313306.00 234292.00 588095.83 271865.50 1139983.00 225769.28 217553.67 125290.00 230906.25 565064.83 476110.00 302400.00 158150.29 128989.93 211497.00 484352.77 431259.67
Ureidopropionic acid
5688.00 131387.00 6662.00 1741.60 33489.00 6091.27 9464.95 37288.78 13527.50 2301.00 3323.33 21943.33 12095.00 6248.00 6637.83 12395.00 83449.00 19213.33 2591.00 10401.00 11083.10 19930.85 29112.54 18632.80 7845.00 5882.00 9043.20 1910.33 70853.50 11786.38 14052.43 4415.00 4514.00 62805.00 2920.00 7873.84 10020.56 7247.00 7573.00 5086.50 3690.00 10860.27 44857.92 14353.00 3374.00 3365.00 3876.00 9629.00 4215.00 9213.22 24404.26 8641.50 3596.25 8578.50 9812.00 2503.00 21544.68 24419.27 114875.00 9798.63 9034.59
Uric acid
1641574.00 1951990.00 1095226.00 239561.00 222721.33 282726.18 1297671.86 1937341.92 1910684.50 422579.00 1006444.00 523370.00 94881.00 2507487.00 709740.17 1074675.50 929295.50 1132657.67 376180.00 218371.50 220337.50 1317308.11 1689855.14 1708954.40 261707.00 500466.43 823205.40 133372.00 440832.00 709610.15 849253.86 609771.00 1184076.00 715430.00 704803.00 1151142.96 1235991.00 1905927.00 248694.00 393543.00 244605.00 1088604.83 1002409.23 880212.00 765246.50 1722379.00 531855.33 714858.50 672216.00 1388720.66 1839302.63 1632866.00 1069033.25 1068846.50 1011638.33 248940.00 1585822.97 1636526.29 757214.00 1194699.73 487119.81
Urocanic acid
13840.00 275210.00 30319.50 20057.40 35324.67 22716.09 44655.65 39169.78 27704.50 7933.00 12684.00 47265.67 26758.00 11917.00 14893.83 11334.00 15022.00 35420.67 61290.00 16169.50 48477.80 47882.29 111385.59 13295.80 8703.00 13841.57 11410.00 29416.00 13889.50 19384.31 28063.21 20453.00 8043.00 18881.00 11130.00 15478.07 21801.28 27513.00 4711.00 3197.50 16017.00 35279.37 35924.69 19263.00 7478.00 21590.00 6858.00 4898.00 4954.00 22245.96 19015.74 23022.50 7346.25 11528.33 7674.00 10537.00 27828.57 27770.89 8211.00 21646.07 35801.96
Val-Glu
1952.00 2633.00 1097.50 175.60 364.67 215.44 1159.45 1540.33 796.00 348.00 723.33 435.00 29.00 1186.00 404.83 417.50 993.00 1165.33 269.00 327.75 241.62 1328.93 1757.31 1248.80 264.00 352.00 660.40 129.00 505.50 540.38 722.23 324.00 1030.00 596.00 1099.00 2024.01 1903.72 3137.00 750.00 929.00 402.00 2209.73 3918.62 1713.00 506.25 1599.00 417.83 617.00 1007.00 2058.45 2415.59 1722.00 1118.25 644.50 1050.67 346.00 4877.24 4063.00 2827.50 4082.97 1044.96
Valine
115900574.00 233431664.00 88856586.50 10516404.40 13075291.00 10890642.82 71270456.63 92377932.58 40644634.50 16105884.00 23567926.33 10873663.33 6209832.00 69694340.00 22669349.67 19656666.50 30205479.50 77054795.33 13780372.00 12665959.00 11919464.60 82628492.65 111434478.86 57293679.40 16026161.00 12939199.14 26188736.20 9418804.00 13422970.00 31007580.85 53186834.64 14412281.00 33666558.00 23786045.00 47571984.00 50758658.67 50777579.83 61913141.00 20887134.00 16720559.00 9417272.00 47663309.03 44979148.85 29870503.00 32837069.00 46715177.00 14579686.00 10691971.00 24307889.00 60895257.38 51770240.04 73162927.50 48830791.50 14866776.00 19658815.67 8150980.00 66829330.28 67574791.58 42490908.50 83623984.00 18680533.56
Valine-d8 [iSTD]
46298908.00 46805625.00 45343610.00 43268628.40 43114010.67 43226634.55 44808693.10 43957003.33 42805347.50 44972962.00 43443420.33 44206094.00 45389527.00 45234077.00 45453901.33 41884913.00 44459269.00 45831841.00 38061171.00 46027751.50 44883994.00 45166034.07 45686016.10 45706316.20 46568689.00 47549865.71 44335699.80 44841980.67 46817019.00 45542795.77 45074267.14 46717687.00 49891846.00 41386395.00 41721985.00 43436349.04 43745317.56 44343560.00 43039216.00 40925911.00 39217018.00 44154316.57 44065341.23 40690717.00 44463271.50 43296870.00 42118466.67 39803919.00 40126649.00 43659749.82 43661377.00 40844562.00 42494034.25 42294351.00 39691894.67 41213376.00 43810568.88 43379020.60 42563321.00 44575442.23 42326298.70
Warfarin
898.50 665.00 405.00 640.80 513.67 486.18 535.18 557.08 600.50 584.00 488.00 591.00 432.00 561.00 515.33 499.00 587.50 523.33 691.00 488.75 617.00 523.89 540.73 500.00 555.00 631.43 593.60 553.33 601.50 568.08 715.46 365.00 326.00 1579.00 1562.00 1680.92 887.73 14592.00 353.00 228.00 340.00 1331.03 1211.18 582.00 385.50 1150.00 657.80 269.00 6676.00 2409.49 1189.48 5185.50 254.75 1305.50 6897.33 150.00 1415.21 2031.14 5632.50 484.72 467.11
Xanthine
436496.00 782878.00 346015.00 72975.20 75668.67 76955.73 165619.32 220589.33 173866.00 214160.00 96175.67 125278.67 61612.00 224310.00 145805.50 151019.50 135285.50 217855.67 99143.00 73440.00 82108.10 188522.60 256787.01 209221.20 209725.00 141668.43 168859.80 49035.67 137116.50 177808.77 155059.43 123344.00 187560.00 136198.00 294648.00 210366.72 210739.83 294549.00 204405.00 193929.00 90042.00 231224.17 174401.23 267266.00 123577.50 243643.00 84292.50 101662.50 106349.00 210974.97 208308.81 231121.50 147243.25 191306.17 193517.33 71254.00 218314.72 227043.80 173838.50 393466.00 170086.63
Xanthopterin
36118.00 79082.00 13132.50 1322.00 3384.67 1609.60 35685.22 41889.14 50807.50 5819.00 14389.00 5097.67 1774.00 4349.00 12584.33 3681.00 11686.50 13105.33 167.00 3037.75 1910.33 35760.74 46434.89 23874.80 5942.00 3442.71 5850.20 734.00 4358.00 13072.08 15660.21 4510.00 9027.00 21413.00 3142.00 46351.95 33598.61 103253.00 5698.00 5935.00 5143.00 45831.40 36539.15 88886.00 10745.50 41586.00 2313.17 2492.50 1804.00 42028.91 38666.15 30971.00 15077.25 7831.00 21071.67 1624.00 48926.52 45016.36 44449.00 28532.97 24672.74
Xanthosine
28796039.00 11514799.00 12343157.00 5506110.00 6781164.33 7429312.64 13484896.49 11718423.64 17112391.50 12606782.00 9434311.33 5235732.33 2056795.00 12220825.00 8365394.83 13715958.00 11220267.50 13373092.00 11081064.00 8999529.50 6389544.90 15465030.91 16200847.56 12950302.40 13337146.00 9872171.57 11438947.20 9901350.67 8611344.50 10605398.00 11598813.14 12998498.00 19689677.00 15709261.00 8921066.00 10792141.51 11403842.11 9331108.00 10158756.00 11208365.00 14849724.00 12376656.83 13699624.31 10807776.00 10833780.25 5612810.00 12010654.67 7391837.50 8948073.00 13695018.10 12891871.89 16368293.00 8500596.25 14237910.33 15530602.00 13735474.00 15660634.23 15905853.67 15292940.50 12962414.83 9402052.48

Factors:

F1Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Alive
F2Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Dead
F3Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Follow-up < 60 days
F4Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Alive
F5Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Dead
F6Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Follow-up < 60 days
F7Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Alive
F8Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Dead
F9Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Follow-up < 60 days
F10Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Dead
F11Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Follow-up < 60 days
F12Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-positive | diagnosis:Non-infectious control | outcome_day_60:Dead
F13Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-positive | diagnosis:Non-infectious control | outcome_day_60:Follow-up < 60 days
F14Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Alive
F15Sample source:CSF | cohort:Indonesia | sex:Female | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Dead
F16Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Alive
F17Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Dead
F18Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Follow-up < 60 days
F19Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Alive
F20Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Dead
F21Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Follow-up < 60 days
F22Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Alive
F23Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Dead
F24Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Follow-up < 60 days
F25Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Alive
F26Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Dead
F27Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Follow-up < 60 days
F28Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-positive | diagnosis:Non-infectious control | outcome_day_60:Alive
F29Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-positive | diagnosis:Non-infectious control | outcome_day_60:Dead
F30Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Alive
F31Sample source:CSF | cohort:Indonesia | sex:Male | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Dead
F32Sample source:CSF | cohort:Indonesia | sex:Male | HIV:NA | diagnosis:Cryptococcal meningitis | outcome_day_60:Alive
F33Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Alive
F34Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Dead
F35Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Follow-up < 60 days
F36Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Alive
F37Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Dead
F38Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Follow-up < 60 days
F39Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Dead
F40Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Follow-up < 60 days
F41Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-positive | diagnosis:Non-infectious control | outcome_day_60:Alive
F42Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Alive
F43Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Dead
F44Sample source:CSF | cohort:Vietnam | sex:Female | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Follow-up < 60 days
F45Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:Alive
F46Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-negative | diagnosis:Cryptococcal meningitis | outcome_day_60:Alive
F47Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Alive
F48Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Dead
F49Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-negative | diagnosis:Non-infectious control | outcome_day_60:Follow-up < 60 days
F50Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Alive
F51Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Dead
F52Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-negative | diagnosis:TBM | outcome_day_60:Follow-up < 60 days
F53Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Alive
F54Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Dead
F55Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:Follow-up < 60 days
F56Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-positive | diagnosis:Non-infectious control | outcome_day_60:Alive
F57Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Alive
F58Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Dead
F59Sample source:CSF | cohort:Vietnam | sex:Male | HIV:HIV-positive | diagnosis:TBM | outcome_day_60:Follow-up < 60 days
F60Sample source:CSF | cohort:Vietnam | sex:NA | HIV:HIV-negative | diagnosis:Bacterial meningitis | outcome_day_60:NA
F61Sample source:CSF | cohort:Vietnam | sex:NA | HIV:HIV-positive | diagnosis:Cryptococcal meningitis | outcome_day_60:NA
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