Metabolite_name RefMet_name 19 1 12 16 18 20 21 4 8 11 14 23 9 3 7 15 17 2 6 10 13 22 24 5 QC-2 QC-3 QC-4 QC-5 Factors - Time to viral rebound (days):119 | Gender:Male | Race:African American Time to viral rebound (days):14 | Gender:Male | Race:Caucasian Time to viral rebound (days):14 | Gender:Male | Race:Caucasian Time to viral rebound (days):14 | Gender:Male | Race:Caucasian Time to viral rebound (days):14 | Gender:Male | Race:Caucasian Time to viral rebound (days):14 | Gender:Male | Race:Caucasian Time to viral rebound (days):14 | Gender:Male | Race:Caucasian Time to viral rebound (days):14 | Gender:Male | Race:Caucasian Time to viral rebound (days):14 | Gender:Male | Race:Caucasian Time to viral rebound (days):15 | Gender:Female | Race:African American Time to viral rebound (days):21 | Gender:Male | Race:Caucasian Time to viral rebound (days):21 | Gender:Male | Race:Caucasian Time to viral rebound (days):27 | Gender:Male | Race:Caucasian Time to viral rebound (days):28 | Gender:Male | Race:African American Time to viral rebound (days):28 | Gender:Male | Race:African American Time to viral rebound (days):28 | Gender:Male | Race:Caucasian Time to viral rebound (days):28 | Gender:Male | Race:Caucasian Time to viral rebound (days):28 | Gender:Male | Race:Caucasian Time to viral rebound (days):28 | Gender:Male | Race:Hispanic Time to viral rebound (days):35 | Gender:Male | Race:Caucasian Time to viral rebound (days):35 | Gender:Male | Race:Caucasian Time to viral rebound (days):42 | Gender:Male | Race:African American Time to viral rebound (days):42 | Gender:Male | Race:African American Time to viral rebound (days):70 | Gender:Female | Race:African American Time to viral rebound (days):NA | Gender:NA | Race:NA Time to viral rebound (days):NA | Gender:NA | Race:NA Time to viral rebound (days):NA | Gender:NA | Race:NA Time to viral rebound (days):NA | Gender:NA | Race:NA 1_5-Anhydro-D-glucitol 1,5-Anhydrosorbitol 292164353.2000 330777426.9000 196430558.5000 230907277.1000 337958849.5000 315255397.3000 207312165.6000 229738051.9000 153435387.9000 234885117.1000 258644973.5000 146956161.5000 254843159 257223469.4000 399959102.7000 270213242.9000 353497559.8000 334893512.8000 238554391.1000 203939435.6000 408956287.9000 298289776.2000 356123689 368761081.3000 286442326.9000 279389275.4000 302417017 278821606 16-Hydroxyhexadecanoic acid Juniperic acid 392607837.9000 367641733.6000 176375806.1000 171689859.7000 213126556.1000 76211576.6300 68902877.3700 248905626.8000 261079177.8000 113087486.7000 216009735 97010236.3300 163793424 394388376 191543070.7000 192690125.6000 154553911.8000 386175955.4000 38112837.3300 147612293.2000 491645228.9000 123953548.2000 89997170.8000 182272919.3000 191495643.7000 200296586.9000 188724920.2000 195396529.3000 1-Methylhistidine 1-Methylhistidine 276522525.5000 649127711.8000 525409945 291765985.8000 427780002.9000 520125229.8000 517703149.2000 442079997.4000 313706186.6000 281747582.2000 411935985.6000 526205147.7000 323327325.6000 486560265.3000 394588595.8000 523635958.1000 453901205.5000 708097466.5000 563679789.1000 406442747.6000 286158785.9000 406724921 408789654.8000 330160817.7000 316457273 467498351.8000 392223795 353372977.2000 1-Methylnicotinamide 1-Methyl nicotinamide 18062434.7800 102682547.2000 20126801.7600 3678645.7240 98095886.4200 18302089.7000 228684254 11812935.9600 10398619.8600 133372251.1000 8452981.4450 13474087.9400 10523941.0200 7827865.7390 6680400.9810 14399372.0100 6755455.3890 34937238.8200 88552978.7300 7991456.5650 30677012.1100 36263358.4200 5050499.2840 6747701.0600 33673269.2200 38015019.6900 34348026.8600 34807028.1300 2_4-Dihydroxybenzoic acid 12536450.9500 10456426.0800 2885203.3840 1894239.8200 12468970.4100 9649987.4660 6462525.2450 3949802.4560 897266.8617 1457789.6410 5758336.9940 1546627.9070 4276312.2460 1225025.3030 626659.8524 1158254.7780 445598.8659 3756036.5010 9972611.5090 4332345.5350 8317107.7190 4104281.8100 2136842.3380 315915.1717 4931516.0800 3286668.0030 3534019.2450 5357549.5290 2-Furoylglycine 2-Furoylglycine 617132.9016 529347.7631 505910.5575 17664825.3900 8707629.6960 605321.2366 278194.3415 10734623.8600 171369.5901 3326099.1930 19091470.2600 1310249.6450 755250.7331 518455.9940 2904159.5970 124232.9216 8420744.7050 239817.6724 1290546.8200 99298.0520 39651812.4800 342605.7508 2847845.0630 694253.6408 2880204.2360 3816689.0260 4005969.7490 2609646.1220 2-Hydroxy-3-methylbutyric acid 2-Hydroxy-3-methylbutyric acid 133864086.6000 44022683.5100 55969298.8400 312879451.9000 45468630.2200 103671587.4000 46114953.6200 150624171.3000 74166617.0700 34329466.8800 75133516.0900 47175170.5600 35582532.6200 25642068.2800 129432976.9000 18624945.6400 21250140.0600 53832474.7500 42759028.8900 51718622.0300 213677872.7000 88732241.6300 49113979.6900 81198947.8500 66652422.7600 99149639.1800 70896149 75052134.9300 2-Hydroxy-3-methylbutyric acid_2 2-Hydroxy-3-methylbutyric acid 22899378.5000 10793611.5500 10241747.4400 47724339.4700 7298196.2010 14496650.5000 7236642.4800 27472113.0100 13163385.7400 6191594.7220 18922502.0200 23270659.9400 7133096.7720 11624116.7100 20088768.3300 6071244.8630 7054016.0690 13443894.3700 8173868.3050 9182923.0280 31982827.5800 9283327.5740 10173490 17534242.6100 16601170.2100 16035634.8300 15096065.4000 16782715.3800 2-Hydroxybenzothiazole 30875551.4000 22732016.6600 16082585.5400 27170019.2000 47155728.9500 23830165.0100 30255468.9300 35991910.1700 33193814.1300 83544418.3000 42489182.8600 64489161.6700 37813649.1500 36395730.1600 22517311.2400 39832499.1500 52541302 55090958.3400 67288346.4100 78216763.1700 49902524.6200 27327453.3100 72470052.4500 34475359.9000 56036426.6300 57378331.7600 66063987.5800 53107042.5300 2-Hydroxycinnamic acid trans-o-Coumaric acid 3044058078 2012023492 1656415913 1543570586 1834260052 1717895024 1927472738 1430012328 2267930857 1424403777 1462539333 1280789136 1631983420 1174990699 1897521602 1079115603 1313106824 901912673.2000 1554433131 1826115336 1428076722 1808017461 848964428.2000 1768429526 1429081926 1656730443 1567958468 1462057402 2-Hydroxyhippuric acid Salicyluric acid 879497.7347 483135.4785 3186005.8450 603615.1850 863758.1793 888801.8797 2552724.8200 823477.2731 945323.4037 970705.1239 1022586.3880 250455364.8000 348585.2378 617041.1387 930860.9596 517060.2596 1015719.2330 2277458.5240 1427440.1210 1573566.1020 8978422.6140 11978465.3500 4252115.8200 949707.2608 26322465.2400 23216704.0100 24730316.0500 26075725.7600 2-Oxindole Indolin-2-one 4295982.9920 51301852.5300 10350729.8200 12405706.8700 85380099.1800 27155169.8600 45216818.0300 46843854.3000 6377343.8300 11114090.8900 20494853.7100 47383244.6700 14605798.5000 14747780.3700 6777044.8680 19941934.2700 7867888.1980 15441481.4500 30868390.7000 15780845.5800 12057692.4900 16014490.5400 11785056.8200 3971083.4200 22872874.6500 19759209.9600 23007524.9600 21744587.1800 2-Phenylphenol 651836.2512 881376.4296 459263.3674 411163.4723 524755.0273 376358.4138 469662.2462 601916.6964 202467402.7000 434824.3268 461781.1416 393279.9831 633338.2877 720650.1929 510582.5553 490696.8556 459481.9952 871662.6637 572513.3996 537297.4836 591493.2161 470701.9094 349894.2736 640628.3407 6031669.3010 7122078.9950 5119905.5270 6648614.1210 3-Furoic acid 3-Furoic acid 2464332970 2673959805 2762080501 2361950005 2302808697 2546288490 2879676373 2943842463 2527339993 2418262645 2753492440 2539592428 2723296876 2591481600 2632742431 2598231301 3201839570 2919655586 3328235130 2427806021 2607841707 2556256059 2334595863 2875390089 2508493451 2580665475 2750563138 2459027768 3-Hydroxyanthranilic acid 3-Hydroxyanthranilic acid 8322487.8120 81058181.0900 22647669.5100 3338408.4230 79125781.4100 25231478.0600 62705178.3600 3985028.6130 3263888.7580 97912711.4400 12458204.5100 14730685.2000 14268487.7500 3623253.1150 13979172 4973110.2710 16100205 14167429.5900 20051639.0200 6959953.4000 6234124.3070 11250776.0600 3536738.5770 16262993.0900 21611828.2000 22036055.1400 21975565.0300 21607648.8700 3-Hydroxybutyric acid 3-Hydroxybutyric acid 90926403.1600 200593401.4000 101614541 42518146.9700 35036710.4400 102173741.4000 30999891.3300 49053296.3400 145449018.5000 20418820 53713552.4700 44385727.9100 51926981.0800 95807917.2400 27448482.0300 313797040.7000 74144180.5800 1037516995 54983578.0300 81224502.2700 71537049.9900 114815235.3000 22666290.1400 134233861.4000 111119577.8000 96587832.8300 108346971.1000 111857207.6000 3-Indoxyl sulphate Indoxyl sulfate 52365519.3000 387694930.1000 81403461.4200 81124875.6800 493012147 192974313.5000 341229709.7000 325871477 51244353.2400 126342013.2000 158562213.8000 424952165.5000 154140719 111163102.6000 72648132.1600 124286585.3000 86102705.9200 112748889.8000 181999284.7000 125478352.9000 130486698.7000 202986240.6000 97672070.5200 37505151.2100 197846148.4000 166948546.1000 193205014.5000 189362047.2000 3-Methylcrotonylglycine 3-Methylcrotonylglycine 1041056.5420 2179302.6830 201711452.1000 2304238.2770 2850955.4690 32867368.2100 850453.2794 1557945.9610 1059481.4510 2188156.9340 2362863.7500 6779948.7910 77406215.3600 1310356.9840 1248050.0150 1153408.8820 2362053.4530 7586386.2450 3373205.3000 3528748.4570 1905380.5660 3307689.4920 1016681.8610 719347.1619 12785676.0100 12791054.0500 14995538.0400 12055252.3100 3-Methylhistidine 3-Methylhistidine 524087686.8000 555454558.4000 1024135963 846446457.8000 1663989487 2150542198 781909760.9000 557129540.1000 1079342316 913531733.3000 419244866.7000 3095418578 894468028.2000 110408626.2000 470874344.6000 229051916.5000 347339474.2000 420882194.6000 2519813551 261456680 646271586.4000 736427872.9000 219739136 893751664.8000 1123807280 941992948.1000 1065946547 1084252751 3-methylphenylacetic acid 3-Methylphenylacetic acid 5052135.7800 5764089.3240 4887008.8540 4863353.6600 10653386.9000 8755191.2250 4042418.0470 5196825.9670 3227357.7400 3916414.8300 9993365.9470 3231234.5910 4743309.1890 2760195.8740 17365842.4900 2818348.8860 5202477.3460 4492897.4900 5612044.9040 3602831.9210 4510189.8360 6238036.7200 2890823.1550 2772532.5600 4948595.8190 6503350.5750 5164163.8420 5430236.4390 3-Pyridinol 3-Hydroxypyridine 2734153.0250 1222259.7680 1316242.7340 11478107.9500 86559200.7000 1165667.6650 944348.7706 5561192.8790 1448968.8510 6794638.1290 15552025.1700 1008057.4540 2505182.0290 4009065.2620 6608436.9440 15969724.3900 12664293.5900 10998012.8100 1818025.2030 850685.4114 26377211.9600 1636521.4780 8670695.1290 1686946.6570 7437546.2310 6577617.6980 8196713.2690 6892824.5800 4-Ethylphenol 4-Ethylphenol 1335828.1360 1408038.0490 29381678.1400 7692416.2470 1125486.5040 896622.5381 749043.7560 1443340.4600 1220761.0530 1313149.1200 1015523.8300 941919.3653 893391.9025 1252520.2490 1130827.1290 1064296.8390 1228684.2120 1513088.4960 1443114.9320 1384281.8750 1436627.2280 1314094.0230 1006247.6960 1816282.1610 3544030.9070 2206348.8110 2819573.1560 3185096.3510 4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 212348137.6000 138927464.8000 116999246.2000 108236532.9000 162324271.8000 123824247.6000 141727574.9000 96310418.0900 152028179.7000 101628895.1000 147051688.2000 91017994.1100 107199112.6000 74936889.2700 133512828.1000 71553293.1400 87231708.5700 57795736.1700 100754166.8000 133006051.9000 102306350.8000 142990689.3000 57038554.5700 114629370.9000 97676701.5900 116986256.7000 99224474.0800 103593313 4-Hydroxybutyric acid (GHB) 6301779.8930 4210260.3110 5872265.3560 4310800.4850 2453067.5150 7808174.5310 3921183.5600 5894852.6200 14000862.0600 2526678.7780 5846707.7550 3784394.3790 2989341.7490 5186932.8290 3783880.5630 2858282.6240 4185228.8020 7887158.8450 5764675.2120 4819591.1670 3934603.2500 3618126.7520 2285405.9580 8162086.1330 5562633.4980 4942146.7590 5147793.1570 5471048.6960 4-Hydroxyproline cis-4-Hydroxyproline 548157942.1000 367684439.8000 589828903 641408850.6000 919758381 357954002.3000 502187859.6000 701241462.6000 383363832 997444182.5000 244756160.3000 400620338.3000 524833867.4000 671973340.6000 375502085.5000 778100173.8000 420431562.5000 819200717.8000 364718374.4000 402443300.1000 480207516.5000 825195901.3000 1073506577 342852546.9000 572150305.5000 612946639.6000 466987908.4000 626105410.4000 4-Pyridoxic acid 4-Pyridoxic acid 3177781.6750 14978166.3500 18624042.6900 3513148.8610 3832377.3580 12066011.9100 164354820.3000 4484408.0370 3011421.1120 60692775.9600 7816524.5440 6737376.6940 7877609.0960 3121757.1430 4130890.9450 5286466.6370 5161978.5840 20422226.9700 5388193.9450 9432491.7300 3955363.4830 3239077.1280 3477224.1810 9529358.2720 12823513.5800 10712985.9200 13342573.1000 11952174.5300 5-Hydroxyindole-3-acetic acid 5-Hydroxyindoleacetic acid 56179284.2900 138843922.2000 66933944.6400 45811876.1700 64582710.7500 44265606.7900 53546402.2400 53444414.2800 39065745.2600 19919177.4100 49776568.8500 73201227.9500 45911930.7400 30063608.9800 46551997.9200 20016621.3600 150421323.3000 31197508.5700 51696108.5900 74319550.2700 57525091.4300 53309535.3500 42683794.4300 43572184.3200 53438650.7300 52193409.9100 62742749.5800 49280968.6600 (5Z)-3-aminonon-5-enoic acid 2051319199 3365802.9150 5271393.9380 7338508.0240 6886594.4770 7853667.2490 6965925.3590 4480170.6460 1754263046 7094001.6320 6562442.1870 7258541.5250 5654583.3670 4581316.7780 5304095.2470 1809476227 7306082.3930 5076475.1830 3303949.7150 3247539.2240 5521317.9580 7460330.1330 3521927177 4429824.3590 429666166.3000 455699076.8000 346076886.8000 480185748.4000 6-Methylquinoline 6-Methylquinoline 39680440.6700 59286550.3800 43769092.1800 40038761.1500 32838724.0200 43052915.0400 49437864.2300 37420464.1100 43915989.6100 33162906.9500 43025562.3100 31449712.2600 45622993.3400 35724192.0100 41600156.7800 34607282.7900 37513136.4900 35221578.5600 38824503.8600 47541844.6900 43104525.0900 26037389.1200 18984243.0900 43543716.4200 40299408.7700 38574134.6100 43114762.3000 38875060.8400 7-Methylxanthine 7-Methylxanthine 2099007.8790 10087596.9200 14440289.4100 17409075.0300 11719486.3600 545025.0370 843336.9528 8268539.0240 941976.6546 9350394.4990 14047893.6600 9213070.9600 9216718.7430 10150601.2600 9929983.8440 6657105.1660 45205934.8000 10442542.0300 3916896.9170 10997091.0300 14703147.7000 3570549.7960 6431699.8610 2038107.7550 8887386.5610 9955807.1620 9092069.6330 9260148.2530 8_11_14-Eicosatrienoic acid Dihomo-gamma-linolenic acid 23145016.0800 13322949.6800 25461443.5400 15649837.6400 11463898.3400 16729993.8800 9466956.4220 13390733.6500 22554545.6700 9637278.1860 29814404.8300 17165080.2900 12449335.4500 15667427.1600 6836408.1420 11059926.8300 15286984.0700 12694829.4800 5405966.0910 13049410.0900 30146117.5700 12947151.9000 4763571.0920 23710744.4800 13012264.3500 16511153.0300 16383296.9800 12482662.9000 8-Hydroxyquinoline Quinolin-8-ol 78858135.7900 116609410.4000 82734530.5100 78132079.2100 66447166.4700 86609717.3300 96183835.3200 61222593.3600 80133203.7400 66869117.0700 86678632.0200 63967027.7400 78930126.9000 80521239.0500 79482962.8700 65985136.8300 73787547.1800 70803748.4000 73535785.3000 87330638.7100 83549382.7300 50200571.0800 36512288.4100 81938426.2200 76163020.4600 74315635.7600 76955972.3800 75278922.7600 Adrenic acid Adrenic acid 9013857.8680 7803332.8420 4912233.9270 4941743.3900 2825922.4460 3752455.5560 1365351.0120 12365628.1900 6405932.2750 5208283.5190 5546847.4030 3408257.6960 3482738.8700 8435256.2240 2400182.6850 3203221.4320 5548664.8220 9467191.3370 2446779.3190 2935081.7100 12211314.8400 2039230.3250 2360583.5570 8590545.8690 5201860.4810 5264373.3080 5275191.4910 5201214.7840 Alpha-Linolenic acid alpha-Linolenic acid 55397229.9500 53402352.1200 60832591.3600 87126171.7300 77766044.7800 96454331.5100 46219135.7800 182803268.3000 14815885.3200 81849183.9300 80263934.4500 34836936.2000 51645225.2900 57661883.3800 55237492.1000 88750978.2800 44124177.3300 77156909.6400 40489657.3100 89877034.5600 52370459.2200 69989477.3600 62056258.8600 60540494.7800 77570138.6300 70656406.9200 81269629.3500 74026058.4200 Aminoadipic acid Aminoadipic acid 13250440.9300 12295633.8900 25881763.5500 11733924.8400 20070500.1800 46112897.8800 12273877.9600 11181603.6300 17688492.7700 7004430.2910 17631094.2300 21502885.3200 14331598.4000 8119348.3410 16463474.4600 10240698.0600 17311874.4300 11010738.9300 15522612.4200 13955182.5200 13741055.8700 30171099.5300 14551522.2900 23271376.4600 13989556.2900 17583275.5800 16902000.4000 13880263.5900 Arachidonic acid Arachidonic acid 70842396.4200 70344258.6000 78773636.9400 39527507.1200 33914396.0100 52289926.2600 25806338.5600 84296535.0800 82506013.9300 43361589.9800 78367728.2800 55500479.2800 57110511.5500 69679055.8500 31179078.4000 23969800.5200 53490074.9700 60313162.1200 42556073.8000 46718379.3500 69968446.3500 34505651.5700 13609459.1300 71481801.0800 51086190.6600 52751372.8200 50372422.4500 51882927.0800 Ascorbic acid Vitamin C 2706076.3730 139140868.8000 35556062.9800 6069972.6990 4491538.9590 234530319.7000 42206041.7300 100970268.1000 83124979.6400 5874117.1410 120132149.6000 80408209.3700 196542657.8000 2310410.9390 1694295.4020 83692731.1100 361276382.2000 3606395.2310 96924070.6800 18161443.0600 148894692.5000 112070299.2000 3669995.4200 3893682.7130 74620853.5000 70171426.2500 70843865.3700 74563578.8500 Betaine Betaine 15988072312 6819310869 7662329714 4413966777 7991852478 5911781589 10546580326 6397381990 6118035488 6997336263 5565270354 11127745722 7115860042 8303350567 2669180039 8026700253 8043387649 5594148886 6688269667 9133498917 10018584855 7514567376 8413052298 5623671514 6645990475 7418664397 7641691196 6449662640 Bilirubin Bilirubin 14539774.4300 91484173.2800 8529298.3270 6807568.1390 16339246.5300 11249178.0400 9065398.2230 11587768.6800 17550128.7600 10981252.6200 7996841.1980 10626916.8300 5576987.9110 4303715.4150 5062655.4320 4880192.6200 3514850.9410 8969706.4530 11513899.0700 4427610.6490 12111655.8900 13773551.7800 3303179.2530 2113885.7460 25108834.5700 14669192.9200 20269920.7900 26844598.0500 Caffeine Caffeine 128282187.7000 11567352.3800 136602743.7000 1004194403 265390822.2000 35710181.6500 3840514.9710 231945216 219520194.7000 188595616.8000 858378678.2000 302979504.9000 167172354.5000 4351703.9450 711062850.5000 230816000.4000 434151007.9000 25112168.8700 57311182.9200 130410860 513909548.1000 396946975.8000 325336259.9000 17661159.4500 170282143.5000 342875398.9000 198230035.9000 214656589.7000 Capric acid Capric acid 22035802.2500 29486627.9100 24075930.5700 18363517.4900 20313839.2900 1712498.5110 7947669.4970 19514682.9600 22117220.8200 9139067.9400 6737541.2550 5248239.2190 40380113.9500 24159766.6100 14633271.5100 19667493.8800 12524033.0100 33248414.2200 21106095.7100 9920978.7730 13597283.0200 5046479.4450 4799894.5900 9729127.5940 15051072 20101683.1300 11838663.1500 17759818.7800 Choline Choline 1090335726 1434029608 1204388518 1128946294 922070518.3000 1046029671 1663342719 1524806492 975654209.2000 859084970.8000 954892849.3000 943972966.3000 1010554355 968384944.3000 1150364464 1084301702 999228109.5000 747725006.7000 1257821602 1154840099 1114933306 1059674655 762247912.2000 1087661557 1048871932 1120081372 1041449482 1075719288 cis-Aconitic acid cis-Aconitic acid 942167361.3000 807658204.5000 828382781 1014263755 793077092.3000 729406733 837355158 543178565.1000 457496379.6000 742772866.1000 901536724.6000 1202866173 769875869 720907267.4000 1299388528 990472714.5000 937816492.5000 803995087.8000 432137499.6000 538252409.3000 1095113231 718398474.4000 1069954691 1024890833 790410034.1000 856744194.2000 731834441.4000 831566791.6000 Citraconic Acid Citraconic acid 14752113.8000 14677461.8600 5981054.9510 21208323.5300 19882927.8800 14010781.1600 8171946.8690 22251378.2300 13964939.7500 15907416.2800 34008983.0500 85451046.8300 10736234.3100 11604031.8100 15893826.6400 16497700.9200 25811424.1900 11203937.8500 25340225.4100 34372194.6900 32532448.2300 12639225.2900 33681406.8000 4698955.1780 16661952.3900 19911962.8900 13445742.6300 19133777.6800 Citric acid Citric acid 38743644948 42824339775 47701758168 41385628518 41433428681 44944668246 46982584394 54308683643 40743737868 39860128710 41717979700 43989371707 46744909046 45466360391 44007720750 43649916334 47913654682 51681185245 45411035077 40716941665 46050608795 43604252312 40910966128 51691762279 41471134619 45796774509 44977839697 41869431341 Citrulline Citrulline 1940445114 2678899538 1894652203 1963134395 2980214485 2033393084 3093969674 2287611986 1748164712 1514598057 2135009330 1489242184 2289792287 1284336182 1498925115 2332833791 2765357157 2360208181 2289471510 2425909022 2370792053 2035541348 969884745.1000 1924181734 1996264987 1926321492 1965706233 1982671919 Cortisol Cortisol 4915014.1540 8782942.9660 7921768.4650 8379987.0800 5931262.4620 3325700.8040 15944554.0800 4335256.6360 15508951.3500 9259333.2700 1736073.0440 4423394.5730 3413874.7550 10023466.6400 12817499.0600 9870429.5060 4494234.9460 11394579.4200 8202355.6000 8612650.9230 9891618.0060 8050008.1960 5126682.2680 7863171.5390 7740796.9420 8000291.9090 8821161.4700 7626519.9940 Cotinine Cotinine 121059395.6000 476371.7936 504568.4349 227624049 588476.3906 456752.0349 611285.9890 7320838.0840 432640.1485 146106462.1000 617351.9800 509538.3067 452424.6762 87013624.1400 94429843.1000 96799639.3900 19607860.1500 140788446.9000 443052.8638 476958.9946 24766513.3200 528686.5886 283138658.5000 125962532.4000 53752591.9900 50988032.9700 51207266.9500 53913947.7000 Coumarin Coumarin 52229190.6500 48716861.8400 38572901.9000 33047324.1900 39487132.7300 40501235.9500 42285733.2200 32033545.6800 55850030.5900 34306122.5900 34145141.8700 29974582.6100 36552087.3100 26532699.2200 45771228.4200 24667892.2900 29324248.9600 19895939.1800 33768977.9400 44495976.2200 34386212.8100 48610554.1400 18906754.5400 40776205.3600 30824391.1500 40079216.5700 33269374.3200 33234434.9800 Creatine Creatine 2017551429 1882152192 4659899665 2042039589 2032495777 12213512545 2714664419 2758797207 5025279634 1717280845 2610278852 9957956205 1035706824 1236584482 1650992663 5153443910 2018600552 3224317962 1725377203 1332693445 2131192652 2565117064 1221809158 3089674239 3622385031 3509105846 3826007257 3514561169 Creatinine Creatinine 356556636.5000 3350038434 1053230307 358080733.7000 484139307.9000 762954063.3000 1294318846 1135485037 713543664.6000 409404757.7000 479900638.5000 1575278251 709715233.5000 716078961.7000 707209395.3000 498444349.8000 1073324202 1189507328 3096822177 3670938440 1323732361 1999810683 371427302 697175668 1119111071 838475032.3000 717038674.9000 1064702639 Crotonic acid Crotonic acid 149258785.4000 171777059.1000 135758036.6000 134536071.8000 152416928.1000 150906662.5000 176073602.7000 159403465.2000 210869256.9000 150301462.2000 122505073 111643814.5000 177653113.5000 158158008.6000 159534058.4000 144594631.8000 194439179.8000 183208609.9000 149559678.8000 173024836.9000 145450383.8000 169346146.8000 216301171.3000 114063726.5000 150197644.4000 159314898.1000 178748735.4000 142691571.7000 Cystathionine Cystathionine 10768437.5300 2552721.3790 1790858.8310 3635056.4090 5485939.9790 4888025.5310 2131900.6710 1754802.0270 1867820.7350 1330589.3240 3447429.6700 6121017.8600 2154182.2950 1566139.5320 3923438.4600 2263652.2540 2292168.3230 1599211.4450 1933579.2530 1817682.5010 3952499.3220 2804617.3820 1712095.9040 1955847.5930 2084262.2390 3103596.7320 3037217.5210 1994233.3720 D-2-Hydroxyglutaric acid D-2-Hydroxyglutaric acid 84800978.6900 87693863.8600 71150446.9500 62843314.5700 70995754.5900 59726072.5300 71114360.3400 92829380.1300 83489354.1500 128727931.5000 60899884.8300 108388521.4000 69606160.7700 87074915.0700 70647344.3000 68484681.5700 92068434.5300 95126612.4300 156723737.5000 163059318.9000 112108023.9000 115515990.7000 122643939.3000 116290508.3000 117943975.7000 91898462.2600 84525901.5100 116768154.2000 D-(-)-Arabinose Arabinose 111735444.5000 166314719.4000 103702377.1000 105127087.2000 104824697.7000 111803331.5000 84076422.0300 135814513 103749903.3000 94908764.5600 94828232.0600 89811310.0200 115528438.8000 129879587.2000 94651895.4300 39348977.5900 119155926.5000 131582694.4000 124388013.1000 102573588.1000 109832676 111495849.6000 95497786.8100 88455984.8400 114803000.7000 109359485.5000 118545044.6000 111758435.9000 Decanoylcarnitine CAR 10:0 19661597.5200 12768330.0300 4940064.3160 14935617.2000 5478085.0950 2070686.5060 2754141.7030 30520453.2700 22714950.0900 4638068.0910 4896387.4280 3326305.5470 9659569.5040 21797151.7200 2724902.8230 14106162.1100 6302549.0620 17362619.2500 5402986.7010 9001718.3470 19026524.1200 6681440.8250 8618271.3950 3428844.7600 10232921.7200 10449296.6100 12009841.7200 9843563.0580 Deoxycholic acid Deoxycholic acid 5387569.1510 24957567.8000 7157324.7290 8710935.6170 45044848.5500 13520802.7300 32437483.9200 61663912.5400 7371282.3520 13395630.3000 19481910.6300 106680075.9000 11037514.7700 6704716.4090 21189084.1800 23350033.7300 29004719.6800 28833991.9200 18902923.8000 14655708.3600 13508358.0200 11134679.0700 1493531.7720 48482332.6000 22267524.4200 24058220.9600 23965623.1200 22401225.5100 D-Erythro-sphingosine 1-phosphate Sphingosine 1-phosphate 3434781.2400 9804892.0730 6569288.2130 6366531.9840 8717056.3200 9063570.4510 8465332.9320 8235719.7980 8380431.8760 6539565.6370 6939905.8980 8831247.4740 9865978.2570 8611826.3600 11467909.6500 6709969.0800 6463292.9630 7412260.3450 5184595.0760 4564576.2350 10833105.7300 5612726.0650 8565198.4030 9170300.9360 7907903.0920 8276673.5810 8670091.4890 7797792.7790 D-Fructose Fructose 93422262.3000 99954433.0700 92040680.3500 90224095.2600 74712494.6900 57828089.0500 69434171.9500 92538027.6600 105219191 181662201.3000 97936266.4200 107123124.3000 78343495.8900 67509428.3400 57547030.1700 58516194.2500 99390084.1900 82386586.3500 213850404.5000 172755802 148357757.4000 135960419.9000 101288273 163066385.7000 101020711.3000 102708256.8000 117316177.7000 95972977.9500 D-Glucose Glucose 1504555007 2143311154 1612303992 1544212315 1010447832 1338458084 1237720913 1772462414 1651435472 1648952742 1393443377 1072836661 2058807519 1797178723 2175400086 1078737886 1792149386 2083591453 1511192881 993228620.3000 1453705310 1107342871 910605830.8000 1649288933 1467086181 526771598.9000 1111195638 1147664514 DL-4-Hydroxyphenyllactic acid Hydroxyphenyllactic acid 31791439.8400 21482482.7500 25485596.1000 15231611.3400 21540658.9000 19490030.5300 14792504.9400 20104998.2200 24087956.9100 6107716.3410 22470319.3900 18668699.0600 20224517.8500 15871061.3400 28236989.9500 9238780.7780 14993582.2100 14252243.3600 16588387.0300 34577856.8000 21517146.2400 34912667.0500 9209450.7340 18467298.1000 20635349 16709031 18443303.6000 19865636.8600 DL-Stachydrine Stachydrine 374264209.2000 155059430.7000 4584642658 2490396979 3212556320 684730022.9000 764275673.2000 5344593257 248077318.2000 977163432.7000 208117691.4000 619305432.2000 533468846.8000 21626418.8000 19516563480 3326733752 532429923.4000 74379971.5900 740433487 2205420855 304041447.8000 507756572.7000 22297198.6300 76456118.9700 1585645608 1665873670 1715676025 1576270548 D-(-)-Mannitol Mannitol 11949575.6400 6088204.8700 6834824.3010 12482518.2000 12429566.0400 6047715.3090 7356613.6970 38879080.6900 11940519.7300 6479710.1970 6271057.1030 42941808.7900 102601608.3000 9542986.2030 9677746.3180 3758109.6250 5603668.4600 78074837.0400 9087946.5470 12503918.7900 13506972.4300 5269149.1780 6047190.0470 3159831.8780 14814858.8100 14638439.9500 14822753.7200 14749441.7200 D-Mannose Mannose 897028344 766340452 726847865.7000 397992490.7000 617001061.1000 438636116.8000 575270054.7000 671514162.2000 944768344.9000 902325527.2000 589365288.2000 640338909.6000 412535396.7000 763660463.8000 348912664.5000 491708068 614972111.5000 966388660.2000 1229480243 1054248595 1201637397 832447985.1000 797808013.4000 1368520705 916135682.7000 751839354.2000 673907957.5000 916564589.1000 Docosahexaenoic Acid Docosahexaenoic acid 41461279.6300 16585834.5800 139688313.4000 32118671.3700 19252274.8600 29854099.7900 21835425.5700 21481196.9600 27078912.6000 20288395.6700 54358257.3700 38132032.2100 51549550.7700 20775190.2400 17561591.3700 10875481.2400 22035665.4100 33325335.0600 9783766.7400 46463945.1200 21058954.6500 11719860.2600 10148680.2500 26069777.5800 30892317.6600 28548085.3400 17740487.8900 34524314.8400 Docosapentaenoic Acid Docosapentaenoic acid 14184752.2100 8337148.6110 26093853.3100 12267991.3400 5595496.0580 9393088.1720 2783151.7470 18553824.9500 13762131.7100 8404405.1740 15854718.2100 9624238.2650 9065618.9240 8324129.7260 3974069.9230 4966515.3610 11438984.3600 12219956.4400 2565007.4110 5561101.5490 19442940.1400 5177485.0120 3869486.3720 12905318.5000 9479143.5390 9389480.8780 11397954.3000 8634991.3710 Dodecanoic acid Lauric acid 38300431.7700 46917737.8700 36397556.8000 25279368.9400 28982484.5100 4636230.6820 19677783.0600 35461933.3300 18686475.4300 29183756.8600 33000444.5700 4894207.9990 48114649.1900 52185362.5900 25002027.1000 28139891.5200 33390888.8000 137659593.6000 7306047.4980 20557040.2000 32772982.2100 11961432.2200 5386517.8910 19484020.2200 23629139.3400 30541009.6800 26528469.6300 25481682.0300 D-(-)-Quinic acid Quinic acid 6253432.0320 7209397.3230 7556582.8150 131935850 288253053.7000 28842669.8700 18289313.1200 101551713.1000 6717421.8860 46130338.9400 195447886.7000 3040831.2950 7458061.0430 5039995.1760 76619165.6800 67971529.3600 85685560.6100 23506022.5600 22509289.5800 4879747.0890 189654273.6000 1742259.2400 35770143.1400 1798459.9940 41218626.9300 48900238.1800 51665218.5200 41018620.7300 D-Ribono-1_4-lactone 972161927.7000 721359914.2000 689754049.1000 629371901.4000 800507830.9000 598085036.5000 718097799.8000 856165058.7000 957263388.4000 1173978303 655478149.9000 944358526.8000 645279124 716838013.5000 568608712.4000 736689971.3000 741054694.5000 819571260.7000 1200241046 1323509110 1174924016 1194747067 965986673.9000 1190886420 960746378.8000 911521151.3000 842709815.8000 982347976.7000 D-Saccharic acid Glucaric acid 11850472.3600 7434884.7130 21429896.1000 11844475.5800 11907878.1700 14865558.1800 15982887.9100 14089878.4300 14934595.6600 28871015.0200 20455848.1300 20848572.9200 9715384.8370 23954912.2000 14737972.1000 25973644.4900 18783923.6100 15961868.5500 18892297.4800 16661980.6100 21215737.9400 25726511.0500 17887967.6200 18050932.7700 15888893.6500 17534806.2600 17619563.5500 15782910.0900 Ecgonine Ecgonine 33413998.9600 25183647.8700 30303187.8000 37285302.4900 17089990.6900 10974906.9000 38658088.3600 21539182.2500 7763885.9780 16698319.4000 48966332.1900 44773906.8500 14760967.8700 32574614.3300 16340408.6500 45809151.6700 85137870.7900 86647410.1200 29648479.5900 42825256.2800 36242268.3400 14129141.9100 18249399.7900 63699226.9700 29108758.8600 33937032.5600 30430597.5000 30287480.6900 Eicosapentaenoic Acid Eicosapentaenoic acid 3346816.6850 3065873.4580 42162369.9000 7741626.7500 2222717.7790 4184536.9750 1615382.6270 5655204.9640 4994508.9640 2855337.4930 21882580.6600 7551344.7700 12264290.7500 1903782.0810 1489283.1680 679316.5429 6638763.5440 2778009.1980 1864502.8330 6405314.5030 4082232.2960 711066.3171 476172.0069 4292046.2770 6614925.4210 4375207.8220 5869669.8460 6056036.7160 Ethylmalonic acid Ethylmalonic acid 19087831.1800 10531628.6600 11553245.0400 6456253.5370 13987794.9600 9765559.8190 7547827.3840 13664992.7100 18668100.4800 40911274.6300 8229790.0230 32529096.2100 8693800.8280 13640773.5400 11109271.7300 10579550.0500 15181773.5200 17991983.2900 35780752.6200 39382037.2800 26551022.1700 38237945.4200 28052310.4900 31481394.0200 18549990.8000 16475467.2500 19083898.9900 17669097.2500 Gamma-Aminobutyric acid gamma-Aminobutyric acid 85654800.3600 33947834.7500 25536990.8800 50775643.6100 26009438.8900 37978779.6800 24293398.5300 21786380.1200 29761815.7900 19906178.2200 41374485.1800 26689296.7600 28385303.9700 26664888.6200 37350679.9600 30023631.8800 33333746.7900 19129991.9600 17678930.4700 31752299.9100 30116527.9200 39172375.7400 62905366.3600 32882413.9600 34177313.8500 35061199.9400 29216186.0300 36075648.7600 Gluconic acid Gluconic acid 2943112907 3042244654 2828784433 2190493314 2523276657 2562413492 2620759257 3672716020 3024420995 3741874854 2166329070 3628292710 3046839253 3639426169 2592555733 2983810029 3281936495 3589793415 3535698388 3869044336 3639029060 4033695550 3844162857 3540133940 3311796596 3187909244 3284162890 3279406055 Glucosamine Glucosamine 464561911.5000 359330872.2000 362463216.2000 234798552.1000 257591151.3000 266827399.9000 260357727.6000 219840168.1000 221593974.4000 285585221.8000 394024229.4000 260474965.7000 234361679.4000 248163471.7000 380919299 285398626.3000 300390013.7000 235620084 210282099.8000 387676175.4000 212241130.3000 410635425.6000 317194474.7000 236239400.3000 340920720.4000 200970655.4000 238422098.2000 346034596 Glucuronic acid-3_6-lactone 30356536.2000 19169722.2600 12002819.8200 17103387.7600 18637103.7100 19230180.0200 21642636.4800 26629755.4600 14215469.7700 44259724.5200 14884916.0800 22246947.7700 21403308.6300 12957834.1000 6667491.1210 10351726.8700 13065961.9100 21891812.3600 35642486.8100 47738774.8300 42256807.7500 27615815.0900 43788347.9700 31097147.9900 26088596.1900 34175882.1300 23536282.0600 29553274.2600 Glycerol 3-phosphate sn-Glycero-3-phosphate 2339601.3140 2551175.2650 7281954.7580 4493451.1350 3891128.9960 3931595.9980 4950513.6480 3701408.8790 6013039.2670 3303998.3470 3570992.0510 7300462.2140 3701406.0320 2026738.9860 3811628.8770 4501187.6390 3803610.5520 4427648.5700 3019143.6310 2550568.6640 4839213.5190 1881044.8880 1559066.7440 2465015.3430 3158438.6080 3431553.9640 3762576.0310 3008526.8910 Glycerophospho-N-palmitoyl ethanolamine Glycerophospho-N-palmitoyl ethanolamine 2645950.1170 12323931.8800 12012043.3000 7918937.1390 10193409.4200 4287299.5820 6461781.9170 10530622.8400 5264851.0720 8303565.5770 8950249.7320 5660634.5260 9500530.1780 4415498.0040 13425390.5700 7649369.1360 9982294.5720 7689790.2460 5255162.8060 8534426.8440 10391344.8500 2053437.6520 3222341.3340 6660119.4190 8760452.9330 5743802.1380 7455329.7160 7914422.3510 Glycine Glycine 106960190.9000 111738168.9000 173347136.4000 115920047 145486997.3000 97730118.4100 151222684.6000 138993683 148297801.7000 130465248.4000 108714199.7000 176335432.4000 143590181.5000 182736267.9000 92018503.1300 162420356.2000 164287459.8000 167370410.8000 128772511.1000 129053696.7000 163046281.8000 121432778.4000 113984289.1000 97632903.0400 126490449.1000 129533259.5000 127646626.8000 127059192.4000 Glycocholic acid Glycocholic acid 244934466 1579973.2600 1611947.0590 4181557.2580 3698489.7130 1349313.0590 3725717.3360 1975184.2420 3006955.3140 2645647.8320 2425606.1900 7458348.3200 2248374.8270 4741046.5460 46322392.7700 344514.9823 5820911.3560 1918958.2490 1617287.4480 1944853.9670 21132284.0200 84289615.8800 22643151.0700 7878205.8160 18569841.2400 19818428.6100 20038494.4500 18310489.0500 Glycoursodeoxycholic acid Glycoursodeoxycholic acid 768938433 16562906.3700 7870353.9770 14161308.0400 7743609.8640 5987822.6690 24195746.4300 13844789.6800 13410107.4900 9297971.0040 19549759.7100 39133929.2300 13380617.7300 36921956.2800 107469473 4880077.1370 26989487.3800 9175267.7850 21139319.6100 15580833.8800 83010285.7100 191995204.3000 45533630.1700 111727430.1000 61248563.7500 48423264.7000 59254367.5700 57087998.8400 Glyoxylic acid Glyoxylic acid 122670467.8000 39065093.1400 76138188.8800 70025470.7600 76858177.9400 82129304.7500 80282458.8800 50122005.1900 74671219.8500 54585573.6700 72847409.4300 64706384.0700 88986169.8800 84825413.7900 76281350.9600 81391695.4800 104486570.7000 89241011.1900 74443073.5500 82997230.9200 47503928.8700 63196677.4200 73466537.8000 94592169.9500 85732368.9100 76250717.0900 76773382.6400 85028800.2500 Guanidineacetic acid Guanidoacetic acid 411808291.8000 239089563.3000 232826849.1000 390084818 391711929.6000 149714517.1000 274976368.5000 362746371.9000 208178558.2000 249831166.4000 327745871.2000 171665534.6000 243687574 224612162.7000 138857718.9000 420961659 342790192.6000 357153928.8000 230763543.2000 210057715.1000 313436286.2000 228939621.5000 154322576.2000 120172154.7000 260546089.4000 244585559.8000 242310340.9000 260770040.5000 Guanine Guanine 1554242.9370 1014156.3280 169062156.1000 1462272.4330 1222348.6710 1446022.5460 1328431.0730 63604225.4500 1540054.8630 1621529.5240 1188007.5620 853657.3541 1319199.3230 2128197.9150 197621800.6000 1715754.2480 50932754.8200 1592903.4310 822121.4754 4582167.1520 1384438.0530 1082378.6430 1930597.4290 1462810.2760 12391427.4000 12381159.4300 11059278.4200 12755721.3900 Guvacoline Guvacoline 4352298.8450 21779965.9300 60189057.5000 13438430.0200 14965083.0200 56414774.8000 12786049.5400 5173331.9100 9514654.8080 4755573.1640 62881887.6400 132856242.5000 21653256.0300 816535.6094 11430783.5200 4680160.5470 13192183.4600 9911150.1620 11895914.9800 5583106.5630 44062764.2900 5471041.7530 6335315.3900 11967479.6600 20888951.9000 19346181.9400 21240080.4900 20293143.1700 Hexanoylcarnitine CAR 6:0 7805546.7070 3889440.2010 3258681.8110 6235110.5420 2756438.9980 2122084.1340 1760795.0080 5956408.9690 13990785.3600 1803410.0130 3623037.3120 2048594.3750 3080085.5600 8106999.5110 1261766.1120 4023642.5300 2674860.6490 7614510.6800 1845116.8380 4538728.4700 9215173.1010 3738272.7300 2592029.5030 2789608.1640 3984085.4880 4065457.1200 4110299.2740 3966295.5270 Hippuric acid Hippuric acid 17987322.5400 4725802.2510 43725992.1000 8448223.3600 92514086.0800 621467529.8000 229933241.2000 52067543.4300 58612218.3000 29194289.5400 43477953.0300 88611639.9600 43940794.9600 11639532.6400 196436931 16385023.7300 28292278.9400 22098981.1300 40531634.7600 9414141.0970 26407440.5200 73756992.0800 8991706.0340 2839283.4520 78552303.1800 84149668.1100 93978887.2300 72739054.5800 Hydroxyisocaproic acid Hydroxyisocaproic acid 9562399.3550 10491134.7700 9118574.2420 15113280.3600 7304932.5030 10975315.4900 9765261.4480 11227035.3700 12339214.5500 6660315.0580 9707754.8120 7579932.2070 9814062.8700 9872308.4520 8528334.9590 7602719.6640 8743602.3250 10873173.0100 7300362.3190 8345156.6770 12109126.9100 8430688.7720 6918459.7810 11141704.3200 10065437.3400 9900396.3890 9657090.6020 10141225.8600 Hypoxanthine Hypoxanthine 402521841.1000 159960479.4000 198671958.9000 505203934.9000 350802393.1000 529465687.7000 3356322.3870 360930976.6000 331054539.5000 339493863.1000 321271961.9000 410194950 38691766.1100 565266817.5000 480914387.3000 303398550.2000 228262714.2000 242988684.9000 305195600.1000 527019699.3000 777206523.3000 456177469.4000 519503677.7000 462677471 379759103.3000 359558469.7000 363588048.8000 379716701.9000 Imidazolelactic acid Imidazolelactic acid 16870603.4400 79044063.9700 45624500.7700 57475467.1000 45261007.6800 30322774.1500 14393504.7300 31181392.8000 23694594.0100 21990294.4800 36767196.7500 53446194.1600 20543478.2900 29676052.6500 29142430.1000 24093121.6800 12457202.3300 53632196.6700 18235096.9200 18146891.7100 41208264.0200 9872576.7800 19375163.1100 9158397.4690 23159229.0600 38766841.6300 29546304.3600 27712611.3100 Indole-3-acetic acid Indoleacetic acid 5880566.3560 11064574.0400 18132233.3200 7509736.7780 10713657.8300 5276938.4140 9033122.9950 6231403.8540 4167755.4470 5578647.9570 6776697.2040 29791177.0300 7522048.7800 14662055.0900 5322019.0280 5786946.6520 13805015.9600 7206891.5340 13485023.3700 6217395.1080 9304426.2440 4580440.7910 2921178.7330 7376395.0100 7568151.3840 6027319.8450 8162975.7630 6864334.5120 Indole-3-lactic acid Indole-3-lactic acid 14604738.0900 24618051.5700 29952058.0300 49590269.1100 29275779.6300 28066433.0300 19745763.4100 18376307.2300 14197178.5000 12607251.9900 29532738.4300 31255451.9800 17823988.4000 17718460.1500 14141143.2300 9559369.2010 17544530.9100 24726148.1600 15368699.3600 21901522.9400 25803982.8500 15035150.0500 9005623.5080 12864498 20842298 17879626.8000 19442282.6400 20292196.5100 Indole-3-pyruvic acid Indolepyruvate 5147214.0530 11570439.6900 10712328.7300 14051498.9000 11879027.4000 16579754.3200 14594117.6500 8272269.3800 8194193.7540 7408336.8440 17150345.7400 18724841.2600 15117272.0800 10882718.4500 5922219.2960 7908602.5880 14162855.1800 9968332.6100 13159029.1300 9151226.7590 20481028.1900 6614597.5060 6091133.6950 9531481.5930 10985319.4200 9954833.8130 12191570.0900 10246303.8500 Inosine Inosine 2061077.4780 5385895.1430 897824.8559 7462837.7950 8781172.4820 3797083.7630 420506.8119 6380163.7020 9359282.6740 14593324.4100 5163478.4120 2217500.7450 1027382.4390 9654687.9030 8698119.0800 5819867.9170 1633660.1600 2526832.2370 1793559.9890 10855163.8100 2040601.1900 8344486.3710 6607257.5890 3774846.5200 5750308.7870 5411291.4590 6921272.6660 5241557.8340 Kojic acid Kojic acid 67333724.0500 28586113.1400 33675987.5000 41149332.5200 20333358.9900 41517867.7800 32067646.4700 59615038.2400 60101707.6600 34144731.2500 23001896.9200 79267404.8000 72341223.2400 63003907.9300 50061740.6600 33700732.2600 39764085.7500 72374706.9500 68970877.6100 57368448.8800 64047139.4100 62575190.5200 79995771.9500 87320213.4500 52989294.5000 66130419.3900 59535740.9900 55451965.1100 L-Acetylcarnitine CAR 2:0 1616386967 2467335737 1924819213 1548680430 913494577.3000 929097016.7000 728454469.6000 1045341725 3424672790 1304415035 1225184297 1141326792 1032415061 2505375071 1174615631 1680345277 1315884814 4398407902 1424725501 1170392468 2478812269 1022889545 1201812894 1621679707 1550391271 1522556527 1486814966 1562767318 L-Alanine Alanine 1442730059 1073536002 1562293566 1304335377 1329323560 1896953365 1536450830 1551929395 1513831580 1345512946 1313325324 1408484276 1452051306 1317132304 1372005719 1333325073 1594877081 899158786.1000 1804807550 1500021826 1210778965 1089497555 1050431695 1548875597 1383087556 1384324054 1529521290 1335297828 L-Arginine Arginine 1792353460 1807523151 1721444446 1617893518 2104809103 1143285598 1628652166 1627730895 3141974316 1269910560 1759381289 1637450852 1974697801 1287602966 1199655889 3690404019 2988679608 2088306717 2322436951 1828496160 1760423990 2811733147 1238485350 1440254119 1418417188 1850058756 2090083052 1337229735 L-Asparagine Asparagine 89223033 138218561.9000 79313826.2400 103977615.2000 111743308.2000 89852762.8800 126708134.9000 158984090.5000 130259153.6000 78868893.6400 146818311.6000 102107558.8000 128673336.9000 125352288.9000 120278487.1000 147216008.6000 62436159.6300 141609421.2000 122310562.1000 95840174.8500 128153123.7000 79869964.0900 69757304.6200 96602653.6700 49897974.5100 121071347.9000 95532158.9400 72777090.2600 L-Aspartic acid Aspartic acid 49948571.8000 48958029.4500 45576150.5100 67602035.4600 41636753.7600 48016687.5200 45424280.1800 41881923.9200 45655093.7100 28069217.3900 45724580.7900 66342370.8800 48389279.6500 39972055.8400 76610244.0900 59846819.8700 37750812.6100 27119722.2600 29461660.8600 49281825.9400 65674155.1700 41502790.1500 58538946.7700 40229702.9500 51207904.1200 46702546.2800 42412410.6100 52477877.1700 L-Carnitine Carnitine 8152114451 7666044519 7366169793 8881240691 7456434597 6317921827 6431477418 7155850714 7171343795 5475456004 7861554219 7490502875 5997657278 7502813024 5993830839 6411400308 8723238684 6866309836 8577860236 6591233482 7965470519 4393536641 5894653199 8262259149 6715477981 6885814545 6946659978 6697418187 L(-)-Carnitine Carnitine 1850747.5590 1345889.3950 36835715.3400 23893547.7900 12097851.5100 1257798.5000 1185287.8810 25225770.5600 6392259.5290 6472913.1570 14735640.7700 16017367.4100 7770861.4330 1088812.8120 4950757.1320 2560505.4230 12852282.7000 14821474.4700 8982044.5110 38245989.5600 7701488.5260 2148009.9310 3769967.5490 33902687.3500 13468278.6900 9436565.2680 7509889.6760 9436565.2680 L-Cystine Cystine 289522434.7000 240766759 246600801.1000 274825740.3000 257013987.7000 247508840 200784580.3000 229780629.9000 242502087 310022137.8000 144835884.4000 192787877.9000 135464257.6000 168579984.8000 294339643.6000 203131011.2000 242322716.3000 108016473.9000 157755679.3000 162745984.4000 182807186 206296040.8000 163486960.3000 146949095.2000 172966735.6000 203719786.1000 229953980.8000 162641779.2000 L-Ergothioneine Ergothioneine 19851708.2300 13616916.0300 27973069.2900 18987821.2900 25848582.4800 25267948.9100 30413170.7300 34312685.8200 25697112.2900 26944791.2700 68668293.1100 83079266 30059984.8800 28768481.7500 72719289.3200 28939047.8800 32069300.9400 26603354.7300 50453640.3300 106643015.9000 24210310.7100 19248468.1400 19197898.8300 25428068.1600 31373025.5900 31042978.6600 37528031.2900 29254361.7300 L-Glutamic acid Glutamic acid 1163753209 539317285.7000 417310860.4000 798347345.3000 433887583.5000 591737684.9000 380415928.6000 363251124.9000 488539884.4000 324002212.3000 640176473 400818823.7000 481892507.2000 407362556.7000 583573490.5000 482360747.2000 549221449.8000 315523356.3000 284716292.8000 494340886.7000 486328517.9000 646617695.3000 997878305 515369970.3000 544042927.9000 559330779.6000 462396428.5000 576021407 L-Glutamine Glutamine 8073128962 15034949395 14103455591 12798956014 15762422719 13944660371 14955675361 15371413582 15137709169 11281769225 14205828529 16589008080 15899616756 15389319392 13337892995 18640812589 16796203524 14118906325 14895458413 15548912744 14112403760 14616323503 10351376387 12049247958 13217641830 14542066059 12585388422 13869510155 L-Glyceric acid Glyceric acid 42133504.3500 44000521.5800 30417261.7700 39943158.4100 40325590.1100 51910211.8100 37956707.1600 57352607.9900 44181260.7900 82924276.4700 36227771.5700 58045556.1000 38683260.8400 62282915.5700 37239636.8600 47188885.8100 50269780.7700 72364375.6800 58937051.1200 81023313.9200 71056622.6500 97773583.9900 66091260.9200 39766894.5000 57042369.2200 56299867.9400 61073165.1000 55575834.8800 L-Histidine Histidine 3514089392 3805594173 3743203202 3956282594 3586487714 4412218310 4513692644 4354405776 4852908401 3370719790 3888276980 3868824475 3592657251 3972501823 3843822881 3313740051 3341002640 3495395202 4019180457 3894157607 3826677787 4031378900 2381384586 2983614827 3532158133 3829508848 3859121655 3534329925 L-Isoleucine Isoleucine 1905189533 1253998776 1581253565 908686489.7000 1123602703 2103758931 1422653644 959449766.4000 2944920849 755488323.5000 996927093.5000 1502542393 1593002222 1003292649 1010621780 1084131356 2083016753 937379102.1000 1195775423 1231373367 1028198074 1905720428 610789149.3000 1479861177 1393294048 1208420798 1571137505 1265178057 L-Kynurenine Kynurenine 55878011.1800 138256459.5000 66888893.8800 45844410.5800 64391736.8100 44425440.9800 53377916.4400 53631039.8800 39095863.8400 19821971.4100 49915715.5400 73095436 45811723.7200 30210605.8300 46906721.5300 13358263.3500 149680455.1000 31336404.1700 52126119.2200 74365357.8700 57266661.4200 53291127.3700 42371883.8000 43633399.5600 53325692.5800 51392496.4100 62558378.7800 49017751.7400 L-Lactic acid Lactic acid 5338080698 5624433643 11703722801 6424585810 8228589943 10798174124 6793061364 6306981685 7037522279 6926404867 5709359015 5090903166 5454113387 7321532911 8044645834 5227058981 6658144001 5350294829 6555432321 4737290396 5506867158 4088734899 7042861648 6476751999 6946963173 7025781670 6707357619 7051652431 L-Leucine Leucine 2181080527 3037880778 1862956307 1844956415 2007280241 2761009740 2408419494 2353284576 4099763690 1043595292 2184694222 2234079852 2441526349 2005878723 1935704248 225310231.2000 3002321592 1944413258 2984328829 2583498396 2003689061 2773187533 1306100502 2710543892 2219965072 2359321776 2196029604 2275568607 L-Lysine Lysine 781605515.7000 1057865645 1531217545 975346069.6000 1423059807 1247571373 1487593392 1325280633 1913376505 599914241.5000 1159932936 1326858399 1072522854 799235197.8000 1275522994 1662272105 1273663031 1007288330 1406289275 1356549920 1384846090 1654022769 564921184.5000 808813226.6000 809990674.2000 1213939909 1121391743 846382813.2000 L-Methionine Methionine 1692961897 1031228705 686932351.4000 695050310.3000 1512735459 1029785799 1624120051 1029508845 1803288294 738342937.3000 689747024.2000 1253111839 743733335.7000 810582136.8000 859732502.5000 982435126.8000 825358659.3000 845183575.8000 1067539502 964447529.9000 1156613088 1220974747 564732002.7000 628325443.2000 1001842353 1048207186 1056955701 999078248.6000 L-Phenylalanine Phenylalanine 1366241194 1522665777 1097676319 1126115305 1364103803 1388015271 1340997251 1048879343 1752742383 719154329.4000 1065963087 1269322254 1151611714 1013803178 912945192.6000 994863044.9000 1083278212 957183592.3000 1453579700 1383752929 1348722673 1656610531 749904254.8000 1186009940 1291901863 1203284008 1249146305 1277337163 L-Proline Proline 10472568366 9465401441 9496506423 10883704460 15504771149 13427077743 10153683051 12310393806 14026985298 6978797658 9716374585 14786463855 11147886485 8459072630 8645791217 10599065983 13984027442 11435747082 13189649802 11860432172 14353047226 10024204570 9093194277 10186860547 11023829479 11221435325 11417852539 10956734832 L-Serine Serine 358743374 259361729 252612338.5000 283013737 312485776.2000 251126343.3000 340949127.7000 242518275.8000 422902195.8000 231513455.8000 262100582.2000 362167874.7000 260363306 267192645.6000 211684033.2000 375039302.7000 286562480.4000 317817028.6000 280034442.4000 264834474.6000 383486106.5000 390432277.5000 268424028.2000 238486882.3000 267843097.5000 293666668.4000 269617355.6000 275537626.2000 L-(+)-Tartaric acid Tartaric acid 24390363.1500 15396465.1400 20575054.0800 12579597.0100 17605968.0800 16491022.3800 41312807.1000 27691795.5800 21970849.9000 123133168.5000 14392272.1200 52247825.7000 14236772.4100 27991787.7700 15432398.3900 23265537.2300 27563606.1800 27226802.7100 91178094.3200 46510120 24746166.2400 62056385.7200 45361244.5900 26649853.5300 34093676.2700 33644541.1400 35882995.0800 33258595.8200 L-Threonine Threonine 3415821570 2120798996 2070295569 2782303593 3754533830 2350214880 3080556753 2975945456 2573612624 1805438180 2137668655 3263317772 2283118556 2672722443 3399033762 3412721714 2669376533 3126999892 2875483099 2163105854 4028769404 3144401115 2134490762 1677229004 2622883721 2644953289 2914584949 2523004692 L-Tryptophan Tryptophan 2482619945 3059941455 2609496089 2440537402 2050803572 2753476036 2878351314 2022556730 2474547620 2098377747 2599753667 1997026865 2548282074 2412687976 2429884568 2058577929 2300019808 2013252276 2342072770 2673764543 2854528885 1723680723 1316231090 2456651462 2234185580 2377223267 2388912067 2233307472 L-Tyrosine Tyrosine 2994580377 1964941356 1619249643 1512041745 1797784027 1679391352 1887976612 1398679025 2215076277 1391132927 1430308343 1252281790 1596648934 1149207270 1854115589 1055403998 1285027659 882880733 1521578182 1783356606 1395373568 1761456748 831681689.3000 1728957452 1399605476 1618603587 1535783177 1430425638 L-Valine Valine 2142828225 3002892977 2950465382 2458015647 2557362775 3468236621 2825000758 2397486663 3282796130 2020114815 2601187614 2562695846 2687160698 2445566840 3034131211 2519115917 3199328203 1965158255 2601816118 2443792700 2193026939 2795392082 2008062825 2838596744 2624367416 2555992361 2690320421 2579354947 Malic acid Malic acid 477006954.9000 271877651.3000 320477100.9000 397194360.1000 398492030 494023556.5000 247799346.4000 307224267.7000 238503242.6000 306021738.9000 397979112.5000 310949081.4000 285806899.7000 261954861.5000 444710214.8000 251911818.1000 245336836.4000 240732503.5000 351322988.9000 363689396.1000 462103991 364116917.1000 356292340.8000 252156694.7000 356992838.6000 347294183.8000 328659346.5000 361768010.1000 Malonic acid Malonic acid 130744487.1000 115535791.5000 105866843.6000 68962548.6400 96152206.5100 71604165.4700 72394348.7100 96268066.8300 140547116 194944002.5000 92202381.8000 127556842.7000 82185672.6200 83248799.4000 74380047.3600 75804428.2700 95901013.0300 102847422 179829570.3000 177281675.3000 151056776.5000 192570319.4000 130865506.7000 199624354.8000 119573724 119832433.3000 126371362.4000 117270595.8000 Methionine sulfoxide Methionine sulfoxide 94404243.4600 49330767.2500 33823061.1600 22310435.6900 32669845.4600 46794994.6300 44638785.4400 34321483.0200 56167985.3500 43649981.5200 48130076.7900 150503640.6000 34532052 27977525.9700 47538282.1400 27778695.8500 28104500.0700 29814193.4300 51991228.4500 31724551.9100 45544255.4200 73732886.2800 34708635.4600 73843308.5000 44872365.1000 50566236.9600 50667278.9000 45085882.9400 Methyl indole-3-acetate Indole-3-methyl acetate 1102703.7790 22022652.4500 2100979.9520 11803721.2300 12061783.8400 11655898.5600 13391118.5500 15968264.8200 8928073.1150 17351673.8200 34336056.0700 11146944.3200 9451917.7320 1083098.7390 4889863.7280 4149216.1310 12447087.5100 10577041.6300 11136143.4000 4559981.4420 6131081.5480 40377394.5400 2622195.0580 1235829.3510 10828902.1300 9657317.8840 11575176.2300 10183637.8700 Myo-inositol Myo-inositol 23506608.4300 36433042.5300 18185336.4100 9401628.2000 32416888.5500 21977630.2400 22792344.0900 17301187.4700 9787645.7430 5318359.6360 25126952.9600 17640832.5300 11583324.3400 9979777.7300 9000684.6320 11097822.4500 16946588.7000 11635251.7600 41317408.5800 21285882.7600 7940478.0920 7720877.4180 13609802.0900 9067409.1560 22043256.1400 10171897.8400 14460998.6300 19359092.3000 Myristic Acid Myristic acid 300868749.8000 325141936 282744290.3000 236738804.7000 251028598.6000 144238264.1000 142566886.2000 276098849.4000 272142959.8000 213063887.3000 286379557.7000 142922653.8000 297075713.9000 391433293.6000 210955608.1000 241113789 243524987.2000 472811973.1000 147736632.7000 245563983.8000 280270453.8000 161135354.3000 174373826 186501197.2000 246222749.5000 259960657.4000 238311632 253418196.3000 N-(2-hydroxyphenyl)acetamide 336688.2565 165325755.8000 272163.1281 266866.5716 352403.5384 270609.6833 295514.5879 3944027.4810 241027.9871 338407.1896 351145.0499 1136450.6410 888931.7881 233779.8711 264275.8934 240214.6810 61599209.4500 222157.9723 337106.5295 441924.6981 263458.7528 235512.0624 235935.0228 231502.2377 7373253.1080 7043840.5640 7159977.0700 7353344.5680 N6-Acetyl-L-lysine N6-Acetyllysine 13481661.1300 27740126.4000 22942846.1300 17215069.4100 12737415.0400 24053044.6800 21633098.3700 19520332.2800 19028192.6600 14261568.8600 24482973.0300 66727722.6900 19301450.3000 19510312.4300 25145246.2100 20511047.5300 20976423.0500 18434577.3400 25376416.1400 24971936.7900 29095425.1500 20687615.2400 16136137.3700 20474762.8400 22803929.1200 21484594.9300 24461667.9900 21799712.0900 N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 20871212.0100 53604500.2800 65154277.4600 28109329.0200 89943554.6700 39619296.8000 54886307.8100 31854467.8400 27278949.0600 41493730.6800 41958457.9800 48229962.6600 45507138.5200 28792182.4500 32742061.1600 29830193.4100 38165135.1100 55984753.5400 47727333.9500 35657190.3000 43920598.1900 69732397 34553673.2000 34378006.5400 40785596.3500 34853785.4800 45018106.7700 37361755.2300 N-Acetylglutamic acid N-Acetylglutamic acid 5563675.4060 2426419.2660 2475021.1440 2260362.3850 3373876.2800 4947340.4370 1701446.6530 2029220.1940 2673794.7580 4695380.9030 2389215.7980 3027292.2610 2920417.2970 1848907.5610 2659429.6810 4048393.9770 1896464.2370 3207062.8320 1821996.3370 2006666.9690 2921581.0280 3822272.1490 5695199.7280 3101599.4770 3145851.3050 2764933.8020 2734242.1050 3171390.0480 N-Acetyl-L-alanine N-Acetylalanine 9102806.1280 14637259.9100 10032901.9900 12493782.7300 11508055.7300 14088542.6200 7605721.0380 11867166.2200 11245025.2700 13805561.1100 9673364.1090 14054779.5800 10839925.3300 10452765.1700 10897235.7300 11123796.4400 12363905.9700 12790003.4400 13978156.2700 12887531.0800 12431214.3700 13522407.0100 14875814.1300 8497730.9630 12057374.8300 10039974.3500 11059910.4600 11703850.2700 N-Acetylornithine N-Acetylornithine 157203347 60598802.3600 237529176.7000 247786519.6000 209084990.6000 91307058.1600 184834139.8000 157110976.5000 25263464.4800 39214785.2800 183408020.8000 230054362.2000 40844789.5200 33010155.6900 112795932.6000 298035620.4000 84520673.0900 86468781.1300 207175161.9000 150163823.7000 135024438.3000 94535078.1400 34562479.4400 22362494.1200 120745880.8000 125861342.7000 118850732.9000 123087629.8000 N-Benzylformamide N-benzylformamide 613152050.9000 407301728.9000 339193588.6000 286712206.9000 444671689.1000 354722045.6000 399285625.8000 292885027.1000 481723904.7000 285617654.5000 275664134.4000 260870588 334500749.5000 228893846.2000 393279265 215226144.4000 260973118.1000 169993972.6000 321668969.1000 397412288.6000 295663490.9000 401910979.1000 165585581 360592329.8000 283989349.7000 335424056.5000 308187480.9000 293820084.4000 Nicotinamide Niacinamide 9080409.5360 35939843.1700 26833967.9900 33674343.6700 47199873.2300 43290094.3800 326186931.4000 20063935.3200 26803583.0200 54156474.8200 29831617.8600 30396443.4000 57094094.5400 18739015.6300 30261443.0600 41555025.5300 26435215.3200 20402796.2300 48200291.6100 27145371.3900 23652139.1900 12175698.4300 30459769.3500 26764194.7900 45501849.8700 41030940.2400 46602790.3800 43706379.8700 N-Phenylacetylglutamine 9131475.1610 22917088.8800 10246179.1400 3896347.7170 51537692.2100 13738444.6000 12771525.9300 15111372.5500 16160109.2400 9858210.2380 12281522.0400 29983556.2500 26568440.9100 6250716.8490 24502133.7500 9316729.2820 12591885.6400 12338797.4300 31912965.6700 19198989.2400 5024555.1990 8533436.0440 3866890.1610 5737047.1190 13128831.6300 12871875.7600 13440303.9300 12946308.2800 octanoate radical Caprylic acid 14101628.7000 21166625.7300 16048209.7800 9456407.2200 17967899.1300 3359780.5900 6181169.8860 9892698.3320 11200524510 6957286.3120 7183021.3260 7107825.3140 15262587.1300 15688083.9600 7886853.3980 5266835.6030 6699079.1210 10666985.9900 12705532.3400 7207733.8970 5796566.7020 8858088.4770 3947354.1300 7640495.1050 409477987.1000 448055331.8000 428400135.7000 420305578.7000 Oleic Acid Oleic acid 4268756955 3605121360 2612951142 1648062348 1858483152 1072695630 869687042.4000 2466512497 3678085693 1547427705 2799080775 926336031.8000 1673274408 4355126641 941066126.7000 2612164173 1646434207 5185223596 479513326.8000 2223752491 3598549849 1852541515 927910322.3000 1836918804 2249975328 2285167876 2276696030 2253564394 Oleoyl-L-α-lysophosphatidic acid 121899293.6000 302643469.2000 254212133.5000 209452444.3000 309958079.8000 157695082.2000 265022878.1000 225077825.7000 177947211.3000 200905459.9000 239233392 185397130.7000 232035018.7000 185123812.2000 184465763 243568416 267750335.8000 320231995.1000 244849488.8000 259052641.3000 250365999.4000 62766796.1700 120796919.9000 211577695.4000 196886204.3000 207385698.1000 148827184.3000 209966011.1000 Ornithine Ornithine 1495650030 984735322.2000 1578657097 1906538666 2183129385 1809190810 2608759546 1734840693 1560532019 1221716986 1622523535 1427789012 1760397247 1113265386 1388078636 1756692127 1727104806 1242768178 1252353347 1387355429 1693207513 2129003894 565149706.8000 1336114310 924411481.1000 1570850073 1624363985 840887379.9000 Oxoglutaric acid 2-Oxoglutaric acid 220480616.6000 137278822.1000 142188945.5000 86555488.2900 83174063.8800 158062386.4000 115277442.9000 103482967.2000 98364950.5000 109201901.5000 139422488.5000 118166438.8000 93543954.4200 94507234.8200 186250079.7000 95551617.9000 111526434.9000 86561033.5500 108448674.3000 114967303.1000 155347139.2000 178224777.7000 185623916.8000 126418229.3000 144670100.9000 127439675.6000 128525536 143984621.6000 Palmitic Acid Palmitic acid 2707855719 3104018555 1702551539 1488400257 1779117547 1123871136 1160090829 2601917063 2575908270 1693670453 2034643719 1145759976 1751154971 3209174155 1581944801 1961568092 1948842116 4725885404 862528099.4000 1908665349 2396478585 1702234420 1038671368 1769247452 1919533081 1981827182 1994108515 1919679444 Palmitoylcarnitine CAR 16:0 6499312.3510 32203631.4800 14794728.8200 15227669.8900 17996192.7000 13680613.7500 13987368.5300 14590079.4100 26328371.7500 2741936.4280 2431356.7890 15716204.1700 16695549.5200 11815056.3200 15251570.0400 7453680.3160 15966705.1500 14461057.3000 7406634.7170 9950520.1190 20279253.8000 23439983.5200 12301993.1300 8791714.2390 13432932.1100 13713083.4600 15048616.5100 13058679.7800 Palmitoyl sphingomyelin SM 18:1;O2/16:0 147375678.4000 265938442.3000 177121732.2000 132796303.5000 294039446.2000 164811349.9000 341731740.8000 224664321.6000 192738354.6000 127385611.6000 163225500.7000 246143100.7000 211024763.9000 209445158.3000 173175737.1000 136335119.3000 163818248.6000 185357775 292630809.2000 281169491.5000 208382503.5000 136222457 141979857.9000 243353486.7000 177971515.9000 93966789.0200 130930660.5000 168906608.6000 Pantothenic acid Pantothenic acid 6042317.8550 12602575.0500 30078127.1300 1475060.5570 2743540.5190 12169401.2500 32371494.8200 2693543.6280 8767923.7540 19600662.8500 16458549.4200 5922376.0230 12335319.6100 1701178.8970 4402304.3980 3848644.3820 6887041.5790 9515361.9390 9570301.8560 15279824.5600 5940614.4910 9551299.8990 939320.8984 9089611.0800 6493687.1520 10830159.2800 8250315.1640 7754225.0860 Pentadecanoic acid Pentadecylic acid 16559704.5700 41724967.9800 29857872.8900 14152208.0600 25076299.9900 8775238.8370 9545371.6680 23298565.9600 26752485.2500 16273170.4500 20291879.5100 5102899.9080 28121536.9800 24239837.2200 18597536.2000 21917415.9100 18218647.7200 66583293.1300 6461702.8270 20880948.5800 24562307.7900 25503095.0100 9722263.0560 12308904.4000 23623392.0800 21908253.7600 21807927.6100 23571574.4200 Phloroglucinol 67772382.0600 66870514.5900 72917332.8300 58491645.5700 56907428.5200 73448633.8200 68729589.6900 53797891.1500 59832410.8300 60816401.1200 72053407.0600 48213053.4600 60108091.5000 63478432.9300 75211587.1500 75754197.4100 61862515.6000 78330173 53325615.3400 69789779.5300 59003736.4000 63734821.0300 69256660.7900 67118790.7500 68240796.8300 60121221.9900 66218685.6500 66122361.3700 Pipecolic acid Pipecolic acid 196028630.4000 71807030.5700 137404946.8000 60773903.7700 115198787.6000 153084805.9000 53481390.7400 361234621 43481156.4700 48915167.8000 75627621.3700 537391239.8000 282911987.9000 45166051.7900 373877739.3000 992916820.4000 96258143.9500 118227762.8000 145824118 74816172.2200 351169520.2000 139262437 67050288.8700 30617115.9400 177214941.5000 179960564.8000 193984794.7000 172439480.7000 Propionylcarnitine CAR 3:0 15657413.7400 28589479.0700 29870256.4600 33406060.8100 26931789.2200 44075460.7100 42494399.8700 22923601.5100 59232905.5500 7790641.5410 33712483.3000 90334797.8400 36649734.4600 27412690.0900 30187975.7800 16053626.5800 62047267.8500 25352188.9100 70400924.9100 37333688.4800 45397773.8000 65741319.5100 9355834.2060 35115129.6100 32417945.1800 31643202.4500 32861448.1400 32009439.2800 Pseudouridine Pseudouridine 36334822.6700 66167030.3600 40948888.7000 49957866.0500 45693130.1800 49895806.5800 39866809.4900 49905480.9500 42031801.1300 31733837.9700 45502508.7700 36409781.4000 50220797.9400 47942550.2400 46750492.6300 46629554.2100 41159971.1500 62041532.2500 45411038.1600 38695950.5100 51052939.2200 35642254.6600 38586477.8700 31803621.1700 46151585.4200 43590920.3300 43939755.7900 46037855.1000 Pyroglutamic acid Pyroglutamic acid 87367335.1100 356073335.7000 220200599.4000 287047453.6000 222871508.2000 302445284.9000 244043365.1000 323408509.4000 171672154.8000 145104912.6000 220387311.3000 417638757.6000 235435173.8000 340296591.1000 283866908.5000 179257383.6000 166204259.4000 168815125.1000 320893352.4000 222317598.6000 509903677.6000 288358278.3000 179889574.6000 181888300.9000 236180994.2000 236515129.2000 247769934.1000 232524543.8000 Pyruvic acid Pyruvic acid 423233850.4000 681220158.4000 1349701952 926461319.2000 998857398.1000 1199765403 1434574193 782634824.7000 707560036.1000 750737870 821513813.5000 749513258.1000 764582012.5000 792866517.5000 1211048728 944470864.9000 705856601.7000 678244873.9000 818988190.9000 521693090.7000 952538544.1000 680381303.4000 767884742.2000 681746746.4000 829192945 805407981.3000 838558471.8000 818255422.9000 Quinolinic acid Quinolinic acid 5605353.9310 12167438.3400 5052970.5540 2514350.5750 3926100.7190 5133090.3540 2982414.7590 3366276.1880 2185108.6920 1237254.2040 2480705.6820 5123890.7820 3877664.2180 4063868.0500 3999018.2650 3341682.8680 6353789.4290 3522559.3470 3610251.4140 7662058.6950 3117683.4850 8396689.5000 1960046.9410 4184281.6240 4331466.2910 4306378.1920 3928835.5980 4443985.9040 Salicylic acid Salicylic acid 681263.9844 838980.8646 10228328.2100 463181.3195 2260677.3250 1425952.9550 4728402.7900 1196598.6990 1335410.4340 1896773.3230 1507486.6230 1489583455 782981.6051 599404.5997 1747438.0950 517161.3609 1676216.2170 3907468.9800 1470687.3100 2434781.1650 6416275.8700 48842925.7600 16472168.0500 380405.4895 83487723 89593559.9500 84438106.2400 85030803.0100 Sarcosine Sarcosine 34591381.6700 28491443.8900 45914621.2900 28706903.2000 31659063.5200 41620011.2300 49103068.5600 92960600.9700 49761619.3700 23595889.0300 25224117.7200 56317929.6400 19559012.5000 21576816.2800 16509457.4000 40675234.3900 38824963.6500 26732640.8100 35860718.9400 30620198.9700 70185349.2200 48035109.1200 42856818.4700 30433987.8700 38301943.9100 34285830.5800 39129159.8300 36772862.0900 Shikimic acid Shikimic acid 15166592.5400 15443710.2200 9997182.3580 12641255.1200 9686571.4880 13600814.4800 11882337.2300 11050378.7600 8966700.5830 11400958.2200 12349264.8300 10630377.3400 17345155.4800 13440929.1700 16032581.9200 10242034.8200 10326455.6300 14920850.3900 8955076.9990 8938792.3010 11322627.4600 9579541.3170 11713905.2500 9339364.7180 14317940.6200 11013904.8100 11079656.4400 14119878.3600 Skatole 3-Methylindole 19565098.9200 22540029.9700 19191321.1000 18740648.9200 13153343.3100 20578465.5800 23696288.7500 12758561.7400 19037380.8100 16273649.7800 20627250.6300 14125929.5200 18868467.1600 19427087.1600 18841573.5900 15481091.3400 18364402.1700 15338479.8700 18013166.3400 19940151.3700 20769156.2700 13670011.8300 9245613.8330 19052577.7900 17912369.8700 16690671.2300 20717291.2500 16585372.1600 S-Methyl-L-cysteine-S-oxide S-Methylcysteine S-oxide 9457846.7510 4491865.7800 41754852.4600 24533087.6900 10850885.6100 3816749.6350 5562319.1530 25408242.7500 12434222.1800 6366135.6970 5299194.3820 193670307.6000 30953605.9900 19802721.7600 4706809.5990 38881684.9600 30516422.8500 10766390.4000 58195483.5400 9536201.8200 14108885.7100 36847490.5100 9612670 3927103.7150 24317020.5900 26134420.0600 25443396.9100 24464857.4700 Sorbic acid Sorbic acid 8579973.4690 13136636.6700 6599381.4230 5570553.4380 11058475.9100 5037607.5430 8352953.8060 5296793.6340 2761259.0320 4864114.1540 7409224.5240 4378445.1160 9227076.4670 4642557.8870 4272248.4700 6255054.2030 6923965.1330 9236308.4260 7206401.6650 6742204.5160 13337167.9100 4595106.8820 4147020.2470 9376691.5590 6730187.5060 6156817.1670 6689515.0780 6539172.4850 Stearidonic Acid Stearidonic acid 10354754.5500 9330904.1800 8799447.5680 9262878.9480 15781918.8300 9883739.9890 6681599.7870 15411523.4200 3041778.7940 12440745.5100 7908784.2030 5004985.5830 6555444.4710 7912900.8730 7765912.6380 12232943.2700 4779228.9620 8729723.5880 5626629.6250 9065766.6140 8891512.7020 11809702.7400 8387005.6490 8225448.0670 8237203.4890 10197009.3100 9579055.7700 8364904.3060 Succinic acid Succinic acid 11656494.2300 13187260.8100 15594314.8800 12527975.7800 16825535.7900 10199939.7500 12102896.9000 17661132.9500 8689942.2640 26832927.6300 8040956.4770 16042036.7100 12518423.6700 16173794.3200 18370546.6200 16050886.2400 17205668.6400 16594701.6400 25434938.5100 25033501.5500 15360961.4000 16303697.9900 17201779.3500 12712648.2300 17282200.0700 16912637.1500 17058650.9300 17212617.8300 Sucrose Sucrose 2328863.8640 3152883.6960 1909319.9990 3118305.0720 1252859.2030 6591810.6100 3476771.1750 1285390.3400 2779850.5790 6460619.7060 3838955.1610 3802261.6600 2290770.4610 1685767.4860 6118742.9220 965137.1051 3176904.8130 481687.3851 5419404.4020 617912.8492 2183671.4650 2260903.6190 12250933.4400 1117936.2340 3215520.4780 3326733.2800 2980439.3750 3333992.5350 Symmetric dimethylarginine Symmetric dimethylarginine 92548133.4600 151932502.6000 95337685.7000 89795523.3700 135079042.6000 91860572.6700 106872165 101832952.4000 107320510 58652622.1700 84545290.2000 129017900.4000 94690133.4300 104604587.3000 88864538.5200 110364906.5000 113048541.7000 86147311.2700 127473819 122205191.1000 123753355.6000 149673610.6000 77930236.0500 72890481.8100 89805369.1500 87660586 94175665.4500 87518628.5900 Taurine Taurine 698556913.4000 1634769432 1785211375 1463024670 1609160115 896380576.9000 1623866196 1784544033 1866663704 2073375016 1720000080 1919660389 1498641412 1397978635 2197123281 2106898155 1607622583 1444636379 1443400954 1579072842 792707932.2000 923966106.4000 772116960.8000 1433115358 1491907798 1506571218 1521178770 1487779878 Taurochenodeoxycholic acid Taurochenodeoxycholic acid 516641282.4000 1233107.7570 1232582.6030 1614167.6860 1820632.9670 1099175.9120 2382951.1170 1646532.6180 1350902.2520 3838503.0090 3092588.2090 2347430.0490 2339557.8970 3391312.9230 68844890.0800 867308.0124 2076382.4950 2147316.7650 2153722.0070 4836915.9710 7192745.6060 47025341.6700 4227432.3450 10337303.3100 22399179.8800 22429240.6100 20590539.2600 22936839.5600 Testosterone sulfate Testosterone sulfate 1939552.8790 121392692.4000 162251315.3000 90691858.8800 78460639.6100 469734445.9000 136667427.9000 223154232.9000 314662619.4000 24543154.2400 97092238.4300 108650794.8000 83710986.9900 349021491.3000 10257467.7300 233551668.3000 71903268.2400 460594169.7000 264227815.6000 147398079.6000 213417515.5000 576740881.4000 36906100.2100 96575586.2300 163877957.3000 164537470.7000 170253756.9000 162009218.5000 Theophylline Theophylline 9580979.3700 4172035.4270 13972299.1800 105879903.1000 54322767.6500 1026479.3330 2101305.9790 17031791.1000 5287619.1420 22417893.8400 24524208.2300 11252038.9000 10838367.8500 2277470.1760 21976920.8300 24975877.7000 26577853.0800 7898569.4630 10363612.1900 12137013.6600 41330744.4900 14484325.4700 28536863.4700 5790190.2830 21470002.8500 19031468.8000 26639533.9400 18891970.3600 trans-3-Hydroxycotinine trans-3-Hydroxycotinine 10456427.7900 361023.6382 375160.9896 16248358.7100 433025.1539 284434.7102 432206.4453 2637537.2110 345774.5486 46188633.8800 454017.0427 371078.5357 290980.9406 27861970.0200 30819152.4000 66329332.7000 10664975.5200 70742988.3200 355850.0962 291152.1872 7406584.3660 404366.1194 27957474.3000 65515245.7400 10160782.9400 7536913.3710 11135226.6700 8974107.4690 Trigonelline Trigonelline 19405228.9800 125643982.4000 30835448.0200 1365794076 141777226.7000 12968356.8700 16362214.6000 957442014.1000 38725192.5000 400423181.4000 730338025.2000 99758306.2600 68380831.5000 9866392.9080 448655259.1000 261436158.8000 625627323.6000 29252995.5700 158169987.9000 29807036.0500 858083847 20815076.7000 428415288.3000 5992420.5870 256163036.9000 265898135.7000 273563201.5000 253460793.9000 Trimethylamine N-oxide Trimethylamine N-oxide 36009717.1300 113593002 1501567410 18891588.7700 98014510.2500 1793395748 55561345.3700 178546012.2000 133973330.9000 50012620.5800 884019602.1000 678270333.3000 72596734.3500 31291517.7400 104961643.4000 50109662.1600 50611570.7700 46904289.9000 88083603.4400 52355096.5600 91446420.0700 65096054.9200 34705249.2600 23542022.2600 263404575.4000 280368814.3000 210098159.3000 289008433.4000 Uric acid Uric acid 1201250888 1958120930 1680182440 1495772861 1878847578 1627018292 1235204699 1718278610 1486898588 1188933242 1598332411 1945531225 1327554251 1175207213 1519100776 1360355741 1381163784 1794429341 1718760602 1689039592 1461264848 1515817732 1192967130 1389555725 1489436862 1523748224 1501219420 1497617037 Uridine Uridine 5315890.2300 13620422.8500 17641556.2200 11356068.0800 10352649.6600 12743222.7200 13191621.5100 17220059.5900 10268382.1000 11591016.1400 7626407.2800 19456772.1500 13783600.1400 16550180.1800 12932184.5900 14397767.6600 11204186.7600 8980294.0410 11083834 16557747.3500 18968237.7800 15295216.0200 5719825.5320 11089656.9100 12254738.6000 11282593.2600 11026336.8400 12448671.8200 Urocanic acid Urocanic acid 5524990.9730 10473554.6100 7071087.3230 5560936.9140 9011786.5710 3828673.8850 10521969.9900 5261664.5490 6643315.8290 9770843.5230 8236242.6020 5728728.7860 4986500.7420 4861236.2830 2736753.2300 3697710.6510 6006087.8500 5623888.9860 4056556.1510 7598976.8520 7052559.6510 90957269.5400 17845446.2300 4419255.4450 9097912.5840 7836771.2420 9039371.4600 8748672.0080 Xylitol Xylitol 20191799.8400 28803916.5600 21894651.9300 23407437.6100 23968966.2700 22990441.8700 19735295.6100 27188929.9300 19742238.7200 31184066.6200 27432504.2500 24723707.5500 20726325.0900 24980573.0200 31306070.7100 16811479.8300 16371123.6400 18157819.9700 25392108.5200 21911842.6000 23411387.2800 17984755.4300 15058859.6600 23626212.3800 22484712.3600 22529703.0400 22127260.1300 22622566.0700 α_α-Trehalose Melibiose 14011414.7600 10874413.5700 15774177.4000 15308730.5100 7882659.9450 11326991.9800 16318759.3100 4344237.4600 5875631.0990 6740532.8220 4608556.2240 11325379.4800 8528164.0920 9743405.2670 11959447.0200 7084791.1810 5230538.4840 4516890.2740 7001469.5250 9240112.7060 10204119.7900 6254013.5840 14036526.7600 10485440.1800 10139804.8200 9417892.2020 9718631.1440 10044630.4500 β-D-Glucopyranuronic acid Glucuronic acid 418498053.6000 426566231.5000 357457002.5000 243726839.1000 334691380.4000 345830229.6000 321322071.4000 506274616 387330037.2000 617386891.5000 228329535.9000 572240248.9000 443667808.4000 478606349.4000 343456022.9000 393246424.6000 444034410.2000 466796937.9000 519033767 630331158.4000 517298566.9000 911616741.7000 667182301.9000 628701702 489899781.9000 477912134.6000 485807335.5000 487395436.3000 Υ-Aminobutyric acid (GABA) 6639030.6050 5224998.3080 6577557.9820 8621573.6850 3354123.6050 5048672.9530 5438110.9030 8347192.2520 12117636.4000 3340479.1240 5904856.4750 6599457.0440 6095166.3880 10122957.2400 3495760.0460 6773335.2620 7030242.7470 9058479.9680 11604016.4400 7500433.6550 11509248.5800 4727002.8860 2864475.4600 7397430.0670 5641976.4380 5906128.4600 5843694.7840 5666819.6180