Data for ST004406   

(Analysis AN007367): Average values per metabolite and experimental factor (Units:peak area)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10
1,1-Dimethylurea
5573383.71 3307774.96 2820711.40 3263333.16 1758129.94 4747481.00 5134357.88 5104719.50 6043589.72 4908123.37
1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)...
48033942.53 58246046.46 54897044.10 57459477.27 49619761.56 86377077.71 78728405.81 105058626.14 92173280.17 109952744.23
1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-gly...
4083522.41 3788424.90 5709246.81 3148742.79 1174586.91 126538189.50 72669422.45 80645023.15 103740304.22 148501487.88
1-(2,4-Dinitroanilino)-1H-pyrrole-2,5-dione
608856.46 1258015.59 919145.14 1713413.86 848096.32 8737869.94 5201443.98 4759155.72 6716353.95 8219895.06
12^-Apo-b-carotene-3,12^-diol
589930.19 1529539.01 629587.30 507802.87 650638.51 3462218.07 4769725.17 3695582.91 3223523.04 2273974.16
12^-Apozeaxanthin
680055.72 1907690.96 1469698.39 1124677.63 352628.38 927280.33 953753.41 718046.25 507281.51 491833.95
1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine
3334086.06 1348470.66 2855620.50 2332814.98 1234355.73 2457510.35 3166743.59 3579547.96 3511435.69 1745582.02
1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine
118527801.64 65068755.65 76341239.92 147913091.78 65066626.57 22492997.77 18022828.37 17517500.04 19085874.20 15468561.91
1-(3,4-Dichlorophenyl)pyrrolidine
16051304.98 16231267.56 18090665.86 18625690.60 16202341.07 2809655.86 5776323.55 5971456.69 5016271.04 5147338.80
1,3-Dimethylbarbituric acid
2167528.92 2014106.52 4291067.13 2465180.95 2676467.78 1421530.18 2465074.36 2374358.61 960088.97 1375874.44
1,3-Dimethyluric acid
3324484.25 384513.14 547893.41 2634064.29 6194179.42 5513227.21 2276887.93 1660776.60 6164091.50 7909366.43
1,3-Oxazinan-2-imine
1590175.14 4267118.00 2668302.83 5620903.84 6353217.22 2505882.51 2708725.43 3071549.73 3663721.01 2551812.38
1,4-Dibutyl benzene-1,4-dicarboxylate
1225806.35 1251475.86 1410684.72 1557179.53 1344208.60 3374671.25 3450350.56 3716235.16 3870259.67 3580394.31
16-Oxokahweol
2295553.12 231373.13 322095.68 4561409.36 8545894.13 1916456.00 2255371.50 2405355.17 1425562.54 1122715.76
1,7-Dioxa-4,10-diazacyclododecane
1386525.73 3137055.75 3622988.11 4262514.12 1261199.32 10496882.37 13041507.65 11099701.25 6179867.97 5789138.63
1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine
19862927.14 15478300.29 17278099.41 40165495.09 21658589.98 55887139.44 60856289.76 75117136.87 73331793.40 69500773.63
1-(Cyclohexylmethyl)proline
6274036.40 7039458.56 8748976.70 7992523.11 6630697.97 1134082.34 1059783.43 773016.45 951651.15 688488.94
1-Docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine
3386232.20 4671846.33 7453926.50 4236041.21 4823695.77 6827331.41 48419460.63 87436836.99 69453154.93 6338325.34
1-Dodecyl-2-pyrrolidinone
1356109.41 3512825.28 3598522.14 3248937.95 6613616.55 830337.69 491618.82 255458.77 1029008.43 914856.54
1-Hexadecylamine
3710808.17 13368754.29 12150437.47 11957272.80 14720461.10 1395661.01 1649557.71 1368192.80 1307266.60 1292401.77
1H-Indazole-4-carboxamide, N-[(1,2-dihydro-6-methyl-2-oxo-4-...
6056735.42 7702657.59 7667283.91 9879357.23 3882440.35 93996232.61 64842484.75 56193977.32 90568633.01 100900641.88
1H-Pyrazolo[3,4-b]pyridine
9073507.30 2178624.48 2985698.06 11015501.00 25095225.09 1450237.30 1641901.54 1338194.23 3461999.15 3826063.58
1H-Pyrrole-2,5-dione, 1-[6-[[(17.beta.)-3-methoxyestra-1,3,5...
223411081.90 86275290.57 104150402.29 106227268.42 618284019.70 2082196.48 1910640.96 1493480.14 4149032.10 1952586.79
1-Hydroxy Vitamin D2
1509799.02 1388927.68 1666959.90 1085175.77 2461636.07 678595.29 942814.25 827640.74 529120.62 208075.71
1-Isobutyl-1H-pyrazol-5-ylamine
9551332.61 6711695.57 5758857.50 10554253.64 12206550.19 4456109.68 2043741.19 3729175.04 3376040.61 3548525.49
1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine
10110779.63 10112876.96 13191409.79 27260774.70 11420371.10 95743239.06 116784183.46 135290285.28 117714460.83 118508771.25
1-Methylguanine
10075600.61 31296444.91 33401962.82 32001495.82 20609980.30 8030406.90 15152028.46 13669649.28 9204835.76 7021760.66
1-Methylguanosine
6212001.35 15053604.98 17873689.70 31166344.92 16946990.12 7317177.84 4209128.65 4293223.65 4973239.97 5556087.37
1-Methylhistamine
65928662.58 121578016.93 189051276.16 151585950.96 37083075.81 10354567.84 8707095.00 6581590.61 5452512.19 6779384.23
1-Methylinosine
1766553.37 5392548.59 5499293.61 6928494.94 3553967.13 3711645.47 5724000.69 7277540.79 4122192.75 3134877.11
1-Methylnicotinamide
20834870.94 64892054.68 46697109.19 49820137.83 28914059.45 10942887.82 46721135.31 46442185.50 23978237.83 13747200.34
1-Methylpseudouridine
5576055.66 7697740.94 4026463.50 4264005.55 6375353.65 1101021.87 2139617.97 2363271.29 1593227.20 1024741.09
1-Methylpyrrolidine
8831042.83 5348839.55 3930001.46 5395598.68 7280854.28 3811148.89 4213936.40 4641539.75 3890831.23 3460270.92
1-Octadecylamine
2020773.41 7112472.55 6426119.97 5457576.92 9757220.15 1103681.01 1407307.00 1037063.04 1180391.16 1108207.73
1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phosphocholine
100858478.87 103385698.42 131268881.04 253426999.97 102340458.13 133464477.67 89998252.75 110171757.27 155656723.20 126779640.93
1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn...
85790051.80 92981935.78 109300806.09 94750971.45 86962682.70 73386898.50 66430612.39 74415672.34 71163406.33 89815344.21
1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-gl...
2579518.05 3469190.34 6816410.09 3185960.37 1492296.71 132039488.85 81591403.84 95817688.99 120547962.08 120646352.55
1-O-Hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine
2231266648.50 3332320371.00 3631741923.47 3885283044.00 2080322450.02 3375573.09 3297696.40 12389589.25 5416918.36 5617338.74
1-O-Hexadecyl-sn-glycero-3-phosphocholine (LPC(O-16:0/0:0))
1595758548.93 147959222.67 257375330.81 387055949.45 4809923118.00 225641485.58 209710092.20 226021737.45 248967973.10 304657862.63
1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine
38533292.00 17523048.96 17633272.69 57663337.26 20044881.21 94744539.21 78352573.68 73619783.66 90584389.20 70140655.78
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
10741058.88 7668648.07 12255556.94 15660452.84 7570928.89 2238917959.00 5584861628.00 5375577431.33 3231199621.67 2010516437.33
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine
114544.35 61035.66 169231.42 126093.67 53041.75 10541916601.00 11981603078.83 13013103959.17 12854764692.67 12551440480.67
1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine
12055267.05 6881250.19 23838979.87 8155693.93 5118443.25 22666398.68 14715081.89 14273482.26 25143962.82 25803965.48
1-Palmitoyllysophosphatidate
356431.86 153937.29 191378.00 317980.70 299520.95 668610.95 553085.15 481815.99 478736.87 607714.70
1-Phenylpyrrolidine
11611509.90 12914011.33 11757351.89 13371966.43 13963810.92 2622714.23 2080040.35 2487122.43 2750203.82 2811053.35
1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-[[2-hydroxy-3-...
3733556.53 3134460.91 3632765.42 5508804.76 12938529.46 2211673.49 1362821.47 1510771.31 5064113.48 1768590.98
1-Stearoylglycerophosphoserine
13352747.43 14485183.97 22256900.08 24895320.80 21326922.17 344448.61 328650.02 247013.86 444429.89 552267.54
2,2^-(2-Hydroxyethylazanediyl)diacetic acid
2272796.24 1638778.56 1863815.25 1945604.71 1678497.20 8594092.17 5479642.17 4632343.29 6954754.76 10228089.17
2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methyl-4(...
4782018.16 18455353.30 22749786.78 20966495.11 7510908.85 1536427.46 823838.13 810614.02 3701429.36 1935138.46
2-(2^,3^,4^-Trihydroxybutyl)quinoxaline
1393943.42 3942742.06 2583969.31 4827549.06 1049483.14 50905112.88 14343410.83 5417377.51 28946489.44 34231877.16
2-(2,6-Dimethylmorpholin-4-yl)ethanol
4848354.49 9231124.59 9992500.30 8138837.31 6859196.34 376335239.85 317625107.45 278240664.87 324451820.43 621151021.80
(22E,24R)-Stigmasta-4,22-diene-3,6-dione
22876003.91 37599311.57 31115557.13 19564652.00 26568312.68 9886623.51 36153631.49 30959566.16 16501420.35 8240045.01
2-(2-Methoxyethoxy)ethanamine
78863693.32 56404725.43 66322032.18 56524940.03 94116713.57 55005511.64 38078469.89 39555138.42 58013369.30 55061723.01
2-(2-Naphthyl)-1,3-benzoxazol-5-amine
3377469.41 3070753.74 2844281.78 2940772.67 3017994.88 756292.26 1810879.76 2737934.51 1388216.50 1392702.83
2-(3-Bromophenyl)-1H-benzimidazole
4355249.75 3839368.30 3787831.91 3671905.49 3697368.01 846185.97 387447.97 449021.69 667601.95 782090.36
2-(3-Pyridinyl)-1H-indole-3-carbaldehyde
3046619.83 848674.91 905406.17 791155.96 2842743.91 1611989.55 941593.68 989226.28 1506488.51 1777045.82
2-(4-Amino-1-piperidinyl)acetamide
34124877.07 163475489.14 198787460.80 241563173.25 83350831.52 2640339.56 6067084.55 4018020.42 3625044.76 3136095.62
2^,4^-Dihydroxyacetophenone
1394138.06 1832266.38 1724962.55 1650691.10 994523.95 1824918.15 1111463.65 768531.18 1463522.03 1698292.73
2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol
799379.55 2675327.91 2889092.83 2173801.29 2110983.26 618142.19 1041308.19 956849.32 776908.49 484563.35
2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)aniline
59083345.26 3530194.84 3121835.09 8381880.68 49702313.72 464443.90 363392.60 316267.88 418304.66 263409.46
2-(4-Oxo-4H-quinazolin-3-yl)-propanoic acid
1934437.40 1789755.93 1819064.69 2481436.15 1992736.54 1982494.02 1030997.65 1242679.17 1154268.79 3055078.10
(24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol_3-glucoside
339528.96 387186.91 330228.29 352009.79 347674.47 530617.76 534409.25 558570.95 500158.27 524217.17
2-(5-Chloro-1,3-benzothiazol-2-yl)ethanamine
3596883.28 7251595.40 6684246.25 6679383.18 5527763.57 854467.39 1165181.80 1161175.86 814518.75 804911.30
2,5-Dimethyl-3,4-diphenyl-2,4-cyclopentadien-1-one
8101955.49 9859430.46 17202218.56 10650770.15 15602840.31 5050956.64 2390096.98 1818830.19 1469565.90 2780377.14
2-(5-Oxovaleryl)phosphatidylcholine
3083394.53 2870320.50 2880521.00 2714345.88 2573513.58 492087.08 868516.27 298251.70 569781.96 686287.86
26,27-Dinorcholest-5-en-24-yne-3,20-diol, (3.beta.)-
2311157.44 5658226.46 3422182.07 2275227.37 4466595.42 7303918.17 14294427.84 11141440.44 8892223.69 4836744.21
2^,6^-Dihydroxyacetophenone
1394138.06 1832266.38 1724962.55 1650691.10 994523.95 1824918.15 1111463.65 768531.18 1463522.03 1698292.73
2-Acetylthiazole
25812900.77 32333796.24 34524987.08 36874572.81 36214179.28 13578302.14 26126084.21 24159898.16 21176680.18 13178665.92
2-Amino-6-ethyl-4(3H)-pyrimidinone
800648.05 1326971.25 1290600.32 1357815.95 1851906.05 1499727.92 1761930.92 1399458.51 2091886.67 2025799.35
2-Amino-6-(methylsulfanyl)-3,5-pyridinedicarbonitrile
30883882.87 61767406.77 66164450.28 62255299.27 39551975.69 1293210.48 78179.31 72720.10 227946.76 1051727.46
2-Amino-7-phenyl-7,8-dihydro-5(6H)-quinazolinone
1061368.47 113842.10 169327.60 211295.04 1900333.23 744755.23 447206.99 451845.47 723900.37 684921.69
2-Aminoadipic acid
3346467.96 3081047.82 3629238.80 3958856.08 5650687.11 2713723.06 1944728.73 1932823.95 2099967.69 2633915.15
2-Aminonicotinic acid
1061732.88 808142.18 504817.72 733199.57 1280379.32 568742.59 1900155.31 909170.73 544363.35 953372.30
2-Aminopurine
29808108.55 55178382.10 20497249.35 63192269.74 12207086.86 493226.72 401482.32 471478.07 560061.26 481178.75
2-Aminopyridine
5419723.90 16005755.68 29135930.62 14339455.30 3150316.25 1987697.43 2407033.54 2098806.92 2276668.00 2386454.24
2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbo...
607960.31 1578242.13 1619147.54 1644577.72 911173.29 1018861.23 3015139.79 912481.89 1428589.53 619167.78
2-Bromoacetophenone
3497582.49 2271054.11 3012397.91 3534023.56 5905531.79 1150670.23 1529443.73 1171306.90 1802123.98 1264374.67
2-Chloro-4-(dimethylamino)-5-fluoropyrimidine
107191871.27 277600529.90 298577575.90 221214791.53 355766957.32 41623096.82 71151764.26 69710008.84 57589306.21 53692102.65
2-Chloro-6-fluoroquinoline-3-carbonitrile
2687707.85 4423583.92 4581506.82 4704188.37 2359191.92 781892.54 918988.92 1120389.36 746218.67 415253.87
2-Cyano-L-phenylalanine
4481049.97 13900283.51 16282836.61 15414850.48 11132128.84 6047328.81 3407311.31 3917178.35 4291173.88 7642106.68
2-(Diethylamino)acetic acid
31593293.63 32127540.99 56009350.34 48756024.22 50000974.77 13056717.97 8166985.26 28891247.09 21004304.18 20346147.37
2-Docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolami...
7373211.02 5284392.79 10103133.35 5195804.95 2579956.68 1413669.35 4366829.14 8400828.17 3534813.00 1259864.60
2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine
20461470.42 21243186.91 36787002.54 30688875.54 12705561.83 7040207.92 6298311.31 4438013.26 8853586.20 7166103.65
2-Dodecylbenzenesulfonic_acid
2362664.92 2121296.69 2347324.11 2766756.53 6168612.50 415375.03 265579.49 328398.34 347843.17 328351.20
2-Ethylbutan-1-amine
23447548.40 36953523.33 44777162.31 35826564.66 40994808.68 25606309.33 20136415.49 19986774.18 26430202.79 31865731.04
2-Ethylpyrazine
552733.43 824129.65 855615.86 525717.60 510631.95 1066369.26 833801.50 750752.62 612067.49 682304.85
2-Hydroxymyristoylcarnitine
22049756.04 38044411.60 48929320.38 36678664.29 27678678.69 4506893.15 14649746.72 11711833.72 9968469.62 3152114.83
2-Methoxybenzoic-acid
1394138.06 1832266.38 1724962.55 1650691.10 994523.95 1824918.15 1111463.65 768531.18 1463522.03 1698292.73
2-Methylbenzamide oxime
3163723.58 6110416.23 6339233.47 6408332.71 4090531.10 1743043.72 1184294.31 1343333.52 1849353.61 1981975.91
2-Methylguanosine
6212001.35 15053604.98 17873689.70 31166344.92 16946990.12 7317177.84 4209128.65 4293223.65 4973239.97 5556087.37
2-Methylnicotinamide
1869938.23 3324333.93 1981599.10 1232659.01 945846.78 4437673.63 6508890.81 7222305.86 3804012.55 5123398.99
2-(Naphthalen-1-yl)-1H-1,3-benzodiazole
12838149.60 16819374.59 19295376.97 17345780.14 24953394.91 727232.73 2028410.78 4118082.32 1169938.89 1066116.40
2^-O-methylcytidine
1976532.07 2535617.09 4082361.52 5044902.44 2672639.83 2341344.70 2199897.58 2228188.72 2819401.15 2553291.83
2-oxindole-3-acetate
8848718.00 11837369.59 11183411.23 16256078.34 14114321.05 479317.97 557483.55 525381.96 493041.96 642613.37
2-Piperazinecarboxamide
81075114.26 268066924.12 382228656.04 390988569.78 148502639.66 51138422.10 42380462.47 26793997.02 19237752.71 51777304.00
2-Pyrimidinylacetic acid
719615.02 2164934.02 1105278.12 1069193.37 627144.75 36136065.46 60554669.29 21279781.77 22701496.77 56052799.16
(2R)-2-(2,5-Difluorophenyl)pyrrolidine
26320507.98 44232259.96 53165628.22 54276647.08 81054219.91 19278231.31 15573361.72 13573070.24 18525379.46 18609657.15
(2R)-3-Hydroxyisovaleroylcarnitine
33157336.38 34754340.22 39504755.20 43613198.76 44755343.79 587787.44 545497.07 342808.52 609699.06 481676.17
(2R)-6-Oxo-2-piperidinecarboxylic acid
1796561.77 2269174.96 1773155.28 1963442.46 3121738.60 2189489.64 2224682.48 1878011.82 2621127.00 3123235.40
2-(S-Glutathionyl)acetyl_chloride
7083351.74 2722181.56 3434726.03 4091960.77 5209410.83 5028619.15 4203814.57 4050708.11 4957135.14 4499278.78
3-(2,6-Dimethyl-4-morpholinyl)-N-phenylpropanamide
3542376.60 3358465.41 2488017.61 3341705.20 3420428.68 1187553.64 1291057.97 1151181.06 1144292.98 1378277.34
3(2H)-Pyridazinone, 4-chloro-5-(4-morpholinyl)-
3140642.12 4299871.67 3663816.72 4479488.57 4199525.34 1764822.84 2287258.88 2319156.53 2262663.77 1680075.92
3,3-Dimethylcyclohexanone
1104354.55 801509.36 909064.38 867213.42 1463323.81 916308.39 869717.68 904003.96 1650391.23 973253.85
3,3-Dimethylpyrrolidin-2-one
8535428.58 5542374.63 7453659.32 7849789.92 6144751.42 2069213.76 2046784.29 1831212.56 1722120.51 2112843.93
3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hy...
734274.83 558376.22 812210.17 756214.25 712091.66 601257.85 456068.57 543992.83 506973.26 631729.39
[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]me...
8532095.31 9437450.57 9189228.77 10234149.78 10301910.39 8238437.81 7757813.24 6171978.20 8656949.44 8077297.01
3^,4^,6-Trihydroxy-3,5,7-trimethoxyflavone
23456947.69 6131432.38 9488066.78 11439232.47 18859344.63 8508966.44 6885880.76 6993134.08 8529227.50 7445473.86
3,4-Thiophenedicarbonitrile
555359.75 1125697.74 1818203.03 1057264.69 1764747.25 2851570.29 4699742.79 3314032.64 3787697.53 2939927.38
3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one
28996968.69 1428802.21 3787139.93 3844812.05 80035726.82 6925543.82 4666223.16 4290760.88 7402428.10 6473764.03
3,5,9-Trioxa-4-phosphatetracosan-1-aminium, 7-(acetyloxy)-24...
3492252.78 1492911.61 1660360.19 3808058.83 2325392.49 233735.42 229621.95 195541.69 254808.04 307611.17
3-Amino-1,1,1-trifluoro-2-butanol
824709.71 588838.69 736643.94 574649.65 2466608.03 523222.79 588439.06 667900.21 423451.76 564108.66
3-Amino-2-oxazolidinone
1698334.61 2021667.11 1023028.92 1262727.33 1940571.43 2336588.21 1350902.36 1143365.66 2760236.22 3148477.66
3-AMINO-2-PIPERIDONE
3969238.47 2909323.40 3390788.23 5446322.04 6041069.42 4625323.29 3364580.59 1720764.25 4335894.04 6025000.49
3-Aminobutanoic acid
17086256.94 31677400.62 81253109.36 48946271.85 9113174.68 4339649.71 3135919.55 3468836.73 4245123.40 2675804.01
3-(Aminocarbonyl)benzoic acid
5137263.39 5064729.08 5157246.48 5996085.05 6690124.01 7151362.34 3596276.57 1776568.93 5357985.89 8259478.93
3-Aminoquinoline
1959004.41 1916452.21 563310.84 7218798.63 827060.01 5224049.92 2937460.52 3050838.88 3085096.49 7095361.64
(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15...
2307203.58 10225210.39 8670615.84 4837539.29 1291709.05 235666.05 387094.88 395808.71 327390.52 400403.65
(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5...
5842281.45 17803482.66 17302393.14 12534739.81 7037297.99 33065416.18 25073122.68 26716428.81 32218017.78 25037365.12
3-Chloro-4-fluoro-5-trifluoromethylaniline
3594005.80 5646290.67 4395429.33 4668533.11 2021986.86 749019.71 879439.25 855560.01 1247455.36 798896.57
3-Demethylubiquinone-9
2129817.71 3350315.72 3998584.02 3279317.68 4334972.76 3318658.46 9089027.80 11662895.49 6365417.35 3828524.04
3-Dodecyloxypropylamine
10653063.61 17421593.33 19238082.71 20370393.43 26567272.43 992485.02 1512250.20 1381841.47 1574578.68 953530.71
3-Hydroxy-2-iodo-4-methoxybenzaldehyde
7043115.31 5473120.88 5506184.75 4447493.01 4276867.96 3089917.05 2950854.19 3148781.74 2997835.92 3132485.00
3-Hydroxy-4-aminopyridine
14695485.67 27264013.40 21607885.14 23428899.77 13923794.26 12818289.83 26379144.06 42791974.43 12906236.64 15595441.49
3-Hydroxybutyrylcarnitine (Car(4:0-O))
445755574.53 820153194.35 652786096.47 570646651.88 275565831.67 29316622.91 119631885.55 87492006.92 76209136.44 19460335.81
3-Hydroxyoleylcarnitine
3768329.93 1256354.64 2552392.21 6878327.98 4185759.00 3295377.59 18764225.77 19046532.65 5889397.33 381796.06
3-Hydroxystigmast-5-en-7-one
46715785.03 130821565.08 151143559.22 114106877.53 77211200.58 5088931.45 19633353.75 22488679.67 11635423.47 5298499.88
3-Methyl-1H-pyrazole-4-carbaldehyde
28643651.58 50143643.62 75302878.95 75501713.48 44929283.31 1065948.21 1318214.45 1215190.49 981021.44 981834.58
(3-Methylbutyl)(6-methylheptan-2-yl)amine
6409783.25 17489801.78 27750695.61 7222007.10 6949958.54 528102.05 1441009.21 1021508.78 521024.83 364848.54
3-methylcytidine
4669627.97 9248697.41 10080904.27 13672608.89 11781023.51 1234670.87 1124947.79 1302646.07 1312759.48 1101921.90
3-Methyl-.gamma.-butyrolactone
20011739.66 28775823.30 38246393.47 28115342.83 30022897.48 1064633.49 1567355.95 1000653.90 1295327.53 1305434.88
3-Methylhistidine
12221621.38 43269163.47 34667690.46 25849468.46 18219097.03 43473499.41 44990524.36 57959937.69 52543825.35 44380189.03
3^-O-methylcytidine
1976532.07 2535617.09 4082361.52 5044902.44 2672639.83 2341344.70 2199897.58 2228188.72 2819401.15 2553291.83
3-Piperidin-4-ylpropanoic acid
5536403.64 1400538.28 1831785.30 6304090.57 10048333.54 6355369.19 2642168.19 3475495.28 5068239.04 6869765.78
3-Pyridylacetic acid
14710266.78 15031802.58 14893252.60 18002511.66 28689106.05 316669.85 465757.68 427869.06 324171.32 260605.13
3-Quinolinecarbaldehyde
3564129.26 5415586.92 4720812.23 4633486.41 5632527.04 6933064.03 4118891.49 4572856.86 6237996.22 10335128.92
3-tert-Butyl-5-isoxazolylamine
1275359.01 1332077.90 892463.00 954325.70 1123586.33 727987.10 682742.75 595427.45 675870.52 870640.09
3-Ureidoisobutyric acid
33254116.18 32637574.25 38247835.02 63791166.80 46874167.91 19774627.54 43806037.11 25671402.39 19272669.36 34591454.74
3-Ureidopropionic acid
1479598.20 1942859.35 2315284.98 2907922.07 1650082.17 3948791.48 6996489.01 10602656.29 5089596.07 3682653.83
4-(1,3-Dithiolan-2-yl)aniline
3698472.16 10386387.42 9068110.46 9146255.37 3531017.53 624211.80 673565.26 624327.67 650429.04 643812.26
4-(2-Methyl-1H-imidazol-1-yl)aniline
1784249.80 1987942.41 2147355.37 2543233.19 1475301.83 10856790.37 7714196.24 7804383.05 6801247.93 14428872.41
[4-(3,4-Dichlorophenyl)-5-(4-pyridyl)thiazol-2-yl]amine
14221027.13 12989320.70 14088452.60 14873611.09 13519709.41 4727368.47 6245597.95 5260698.98 6110393.88 6020007.75
4,4,6-Trimethyl-1-(4-methylphenyl)-1,4-dihydro-2-pyrimidinet...
4255444.00 4298685.43 2940348.04 2732228.85 5110218.78 2982778.54 1937729.18 1518471.99 2083226.73 2761682.06
4-(4-Chlorophenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinec...
1698783.11 2044749.67 1731076.59 1898874.20 1962765.31 3815821.88 1097891.29 1050507.72 1740613.59 3319917.87
4-(4-Piperidinyl)morpholine
8560957.65 6440576.22 6626508.93 6846324.30 6860128.59 4835398.14 4293810.77 4274841.74 4853280.64 4921160.14
4-[4-(Trifluoromethoxy)phenoxy]piperidine
15833602.71 1829855.92 4006766.34 4788092.20 10841060.15 989259.01 1415545.81 1126887.89 1560156.48 1063022.76
4-[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline
1073050.53 108708.47 175908.75 252065.43 2042497.19 966969.70 713414.44 678778.90 1111686.18 1654023.76
4,5-Dihydro-2-methylthiazole
6647947.49 7819317.46 5830527.72 6128538.60 3028190.75 3874219.26 2392221.67 1134349.26 4086703.09 5452347.81
[4-Amino-2-(ethylamino)-1,3-thiazol-5-yl](4-chlorophenyl)met...
14135013.84 48574600.73 70083718.05 68471268.63 20866547.63 6267363.69 7099808.35 7344707.46 9973894.25 5524832.30
4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol
1305952.09 1304325.90 1315828.34 1360050.23 1321099.84 785389.32 762732.46 805697.32 762918.27 762254.55
4-Amino-6-methoxy-3-quinolinecarboxylic acid
8241845.83 15392521.47 4384628.04 4577484.80 5718673.70 1687873.27 1597675.80 1708860.90 1591622.52 2966233.01
4-Aminobutyric acid (GABA)
153877098.90 239348934.97 248311910.00 270648569.95 244669279.05 7682296.99 7740127.55 4958535.69 5632771.30 9067570.59
4-Amino-N-(2-fluorophenyl)benzenesulfonamide
840598.45 1138507.20 1025545.42 1002889.21 1719487.55 742263.80 1026890.89 944243.28 637937.90 432791.49
4-Chloro-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone
978829.63 1535385.67 1623111.58 1944545.99 1225530.21 1456335.61 2448871.99 1985658.45 1984449.45 1776538.34
4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine
3377290.43 5714412.95 3755048.11 5103800.78 6873022.48 19336573.58 16031297.37 12432467.09 26019437.79 44957455.25
4-Chloro-N-(5-fluoro-2-methylphenyl)benzamide
18010929.25 1703103.02 2647608.53 3307143.45 31387044.67 9610088.34 5959129.54 6011752.91 9990227.94 9272367.50
(4E,10E)-13,21-Dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetra...
176186.85 348840.51 602357.76 687451.73 484228.04 6471947.02 3374846.80 3259889.38 10598960.78 6658997.46
4-Guanidinobutanamide
1487380.20 3854285.25 4612262.15 5602199.47 1784211.75 3173565.97 1898084.68 1091520.15 2373194.35 3195487.54
4-Guanidinobutyric acid
22533806.04 23678522.89 26647836.95 39078035.39 23944095.95 23327311.54 15083209.79 11103072.40 27159500.96 26728984.00
4-Hydroxybenzaldehyde
7916956.03 5570255.57 7219080.60 7605638.77 8191148.52 170999.84 104162.54 24212.09 250169.77 197467.35
(4-Oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid
33805498.23 32964078.26 35846588.27 42762460.24 48564985.34 690412.00 663723.73 670886.89 825349.87 665932.33
4-Phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
9489538.07 4706170.03 4383564.07 5630994.39 5028297.45 3511427.08 2500755.10 2491541.41 3669225.11 4023992.72
4-Piperidinecarboxamide
4447950.57 3957749.19 4568774.34 4168755.78 4324722.07 1966237.23 1663800.77 1298248.92 1637959.91 1516642.21
5-(2-Aminoethyl)-1H-imidazol-2-amine
74573071.85 212264184.19 344383639.48 339365855.35 165252884.02 5795128.49 6660719.02 7678591.82 6769115.90 7406931.27
5-(2-methoxyethylamino)-3H-1,3,4-thiadiazole-2-thione
10398289.86 20851241.00 22071957.30 23589137.63 6813422.12 554734.97 682893.81 604905.43 1070791.41 579620.14
5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-amine
1672885.13 3827007.76 3917382.55 4576575.38 2099748.39 777710.37 1098918.83 952537.55 863465.46 1005358.29
5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid
3867630.58 2118539.95 2540724.50 3945815.22 4745075.04 658979.53 497857.83 409247.50 707741.36 610912.35
5,6,7,8-Tetrahydrothieno[2,3-b]quinolin-4-amine
5828309.21 6396671.96 10228407.84 8317647.16 8827532.89 6535121.46 6796379.34 6615574.56 8708309.59 5663867.06
5,6-Dihydrouridine
8240948.31 4912854.56 6347987.85 6233321.29 8352803.35 14430053.13 16535810.35 14549708.92 12115455.54 10079652.35
5-Amino-1-methyl-2-piperidinone
2219600.52 2413142.29 2727142.07 2386424.64 3520360.18 1522480.76 1496339.42 1444080.26 1258434.32 1586368.44
5-Aminopentanoic acid
6436976.44 10646541.96 15065756.29 9206859.81 7332472.06 4516039.77 7712687.39 4059006.78 7004403.94 3989537.76
5-Bromo-4-isopentylpyrimidine
900685.38 1587709.78 1862643.68 2188292.56 1520907.17 1262623.59 1600276.33 979097.12 621230.17 1235744.49
5-Hydroxyindole-3-acetic acid
8848718.00 11837369.59 11183411.23 16256078.34 14114321.05 479317.97 557483.55 525381.96 493041.96 642613.37
5-Methylcytidine
855378.35 2706486.09 4463681.59 4760200.28 1904764.76 1234670.87 1124947.79 1302646.07 1312759.48 1101921.90
5-Methylisoxazol-3-amine
6300969.25 7862725.31 6185121.02 6936737.38 4150201.07 7408870.20 10041467.45 12147117.85 8361886.63 6805635.65
5-Nitro-N-(3-pyridinylmethyl)-2-furamide
67844954.48 19091937.15 20586989.70 22093301.50 40479818.56 53606890.81 46377133.28 46408766.80 59051384.60 51647563.36
5-Pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-N-[(t...
1588879.77 3531201.98 4070958.61 4173352.91 1532874.73 561726.81 684659.35 744569.19 529459.92 386014.43
6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine
2113428.88 2743520.83 2082018.27 2350708.18 1161276.31 1598772.73 2017875.77 2279659.55 1720116.45 2406213.67
6,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran
3160763.87 6220600.08 7089515.79 7636636.69 5236126.04 1826517.69 1299996.52 777492.46 2508784.54 2841399.75
6-Acetylcodeine
1972572.53 2887333.03 3035061.55 4234920.88 3727784.06 376094.94 726748.05 587007.04 554196.20 700579.02
6-Aminonicotinic acid
719615.02 2164934.02 1105278.12 1069193.37 627144.75 36136065.46 60554669.29 21279781.77 22701496.77 56052799.16
6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetr...
131151.28 273222.79 459097.83 564286.80 130314.16 43633179.77 38935511.50 31199362.62 36673144.77 23247182.13
6-Benzylaminouracil
2059256.92 3485836.03 2699978.74 3635796.52 2930056.32 35140032.81 15266363.49 11097489.39 16931553.82 48863434.76
6.beta.-Naltrexol
993315.46 531259.69 488419.58 771246.90 876865.74 22916838.18 22615741.58 25897850.20 24503567.98 34510042.68
6-(Chloromethyl)-N2-(2-naphthyl)-1,3,5-triazine-2,4-diamine
13656177.84 12524742.07 14286749.23 17355603.32 19505383.12 11092.84 89189.78 100164.06 63639.02 18255.07
6-endo-Hydroxycineole
2718496.14 2864445.71 4918857.81 4336252.34 5275344.74 30679334.61 33247711.22 11305110.86 53931366.52 21288025.44
6-Hydrazino-3-pyridazinecarboxamide
89403321.41 178610268.87 204304752.85 215079385.52 136743851.43 12415916.18 13223471.35 12144148.99 13101420.87 12856977.45
6-Methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
4045983.32 7005904.61 6710683.26 10242435.11 7520340.16 4680492.18 3413228.81 1763046.07 4922852.14 4880550.52
6-Methylnicotinamide
1869938.23 3324333.93 1981599.10 1232659.01 945846.78 4437673.63 6508890.81 7222305.86 3804012.55 5123398.99
7-Amino-4-methylquinolin-2-ol
12958617.58 17464958.70 16752236.14 14491192.34 16934436.52 8967637.27 8335435.28 9330301.43 11198236.63 13239121.19
7H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,7-diamine
18046334.25 24640273.27 21047950.07 24023921.74 21734529.94 4285246.20 2890183.46 5451018.61 5438728.89 3343120.86
7-Hydroxy-2-acetylaminofluorene
12901355.38 17585725.52 23273766.10 22657958.61 18996750.67 10407126.90 9956535.58 9442666.56 10024800.37 9295530.39
7-Hydroxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one
3745126.58 2419265.41 2655647.23 30766687.81 4850908.92 733020.27 175301.65 209583.41 287503.22 553333.20
7-Keto-8-aminopelargonic acid
2501878.88 4300189.85 4604133.16 4524567.08 2195928.09 4238431.46 15732302.23 13108419.81 6326119.51 2717924.12
7-Methylguanine
10075600.61 31296444.91 33401962.82 32001495.82 20609980.30 8030406.90 15152028.46 13669649.28 9204835.76 7021760.66
[(7-Oxo-7H-benzo[de]anthracen-3-yl)sulfanyl]acetic acid
865203.82 2818305.97 2347456.84 3671349.38 2238968.44 4220771.77 4775597.55 3985536.23 4275835.13 4018669.87
8,11-Tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ...
661635.58 1450885.47 1150124.33 995041.17 620586.87 1083749.94 1392954.00 1128713.90 958618.90 883881.60
8-Isobutanoylneosolaniol
889907.40 561806.82 837820.59 831798.68 2128136.23 1718155.32 2554503.16 2671002.80 2179237.12 3216420.21
8-Methylquinolin-2(1H)-one
12769735.46 70892489.67 74977556.80 41140511.92 27004548.37 17235056.89 5489673.62 1901873.37 13843932.12 12065182.30
9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fg:3^,2^,...
1537079.42 4672111.75 4095385.22 3606796.30 1667792.95 708016.51 1354711.29 1074919.52 1102958.05 1090511.53
9Z,11E,13E-Octadecatrienoic acid
3051504.89 2515747.85 1647689.01 1871829.62 3212855.96 1632990.68 1648628.99 855579.52 1170351.12 1707745.47
Acetildenafil
9918556.78 24025754.07 15704817.92 21369212.38 13602999.32 482650.47 1025597.94 885576.67 915717.32 657320.54
Acetoin
1868392.43 2842895.40 3556483.31 3287040.50 3372555.84 5850506.50 6229683.99 5742174.31 5072403.13 5779267.33
Acetophenazine
291144.43 237520.51 318280.84 250766.91 215561.69 159749.43 131441.60 260153.21 367993.82 202596.75
Acetylcarnitine (Car(2:0))
6105834.02 8759950.67 8856299.77 8568519.77 7082653.70 243942293.60 258929880.52 246470126.00 248456625.67 240333276.42
Adenine
29808108.55 55178382.10 20497249.35 63192269.74 12207086.86 1470915.30 1482015.84 1522497.59 1184934.20 1305367.40
Adenosine
381933447.47 201123743.72 273673574.12 342900834.71 387691685.15 1866998.47 2221037.58 2626352.12 1836090.07 2801208.05
Adenosine dialdehyde
1401551.58 790789.25 657411.29 469035.00 917059.07 57869.33 109243.14 74171.69 45984.83 32649.20
Alanine
92289671.96 77141409.08 90351539.63 119340171.28 123787853.59 7835082.42 7980744.35 7556223.89 10243536.99 8112250.11
Ala-Val
7355723.76 6827847.02 5644022.48 9946414.70 16280003.51 1168465.00 1930233.60 678501.66 677778.68 1338702.78
Allopurinol
1635706.68 1180987.45 1013211.56 705145.44 2337986.77 4129025.42 4764202.93 7764643.79 8125433.92 4954002.12
Aminofructose_6-phosphate
5013835.20 20911326.62 11606897.34 12279038.46 10775432.10 1969654.40 3867140.23 3910347.23 3274021.61 1402432.89
Amobarbital
3070861.62 2925640.20 2878388.18 2936442.45 3037662.98 210471.92 319746.54 308861.52 282224.33 206730.96
Anserine
2975037.72 6229818.55 6706786.04 6592782.97 11462246.10 17101340.12 21964508.64 24201126.39 30356065.79 64946514.17
Apocholic acid
591987.07 3004716.68 453428.44 327394.79 1347950.88 847748.32 353103.96 974952.86 1322783.93 120881.45
Arachidonoylcarnitine (Car(20:4))
131562788.72 232622511.62 233711605.45 221368292.69 244962527.10 23510897.79 39456532.55 43454351.22 28438234.73 17476294.57
Arachidyl_carnitine
13312992.66 29703729.33 36780230.52 31295625.41 16934727.37 1409384.03 1983954.31 2615422.64 2088614.95 1080477.19
arborinine
31133764.14 20160636.27 20151866.05 23350480.59 62678795.02 114525.18 211603.02 149955.73 176240.21 88168.34
Arg-Ala
66042887.36 29478504.16 37807662.91 36344423.22 25499530.21 313710.50 1381226.63 1695226.66 934308.38 324835.42
Arginine
821251751.93 1629388226.52 1845311940.67 2163325999.67 1139837749.98 1112758806.60 1112563202.88 1008676050.28 1467680611.77 1484514471.00
Argininic_acid
22209290.39 72290399.86 31824784.92 38858166.54 18690465.91 63108592.17 29890765.50 20828361.69 53779017.25 59984810.60
Arg-Pro
4919642.46 3469023.68 3997962.41 8810138.37 5387735.05 273569.11 1373831.19 1596730.62 855076.47 274843.12
Aspartate
18301536.69 11344877.96 19377166.98 20704470.56 19685588.46 1864387.91 1994866.16 1839281.36 2431810.48 1423531.06
Beclomethasone
927532.85 643819.46 802395.59 969664.53 2328943.68 1677383.73 2323706.79 2720192.66 1934389.46 3276210.61
Benzeneacetamide, 4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz[...
3863968.91 346213.49 1141595.16 2191258.57 4669335.69 1243829.30 691113.41 741593.40 1404419.99 1211792.83
Benzoylcarnitine (Car(7:4))
1306417.42 248256.10 731877.47 1617389.10 2408471.84 1098754.11 657823.01 138594.56 1052779.29 1307263.28
Benztropine
1619844.88 757436.28 907300.24 620357.34 339605.10 194967.65 140543.43 123880.48 259187.51 252698.79
Benzyldimethyltetradecylammonium cation
6745970.92 56531188.81 92619692.11 15236663.09 2455316.90 1054045.12 3505790.60 22143517.63 6755483.88 2012923.49
beta-Guanidinopropionic acid
2045100784.33 1279683925.82 1102204340.78 1181479113.30 619731914.67 118288119.31 212635817.67 200084508.93 152858470.24 143097534.27
Betaine
896695108.28 1171929461.70 1022296448.45 1169287958.22 1139131844.15 505646975.92 626935751.60 575643857.58 560462314.90 513459008.25
Betaine aldehyde
841569.32 1693064.86 1200792.02 1228844.47 732013.50 1476567.29 1459455.33 1388172.02 1473282.19 1549257.10
Betonicine
5275993.10 3510627.79 4542616.05 5648027.71 8294935.93 2255168.34 1801858.92 1328858.75 2766367.53 2683538.27
Biopterin
3388539.69 5736692.80 6873046.52 7543405.21 4120728.29 692649.34 806638.07 753754.48 733455.74 590808.17
Bistris
4676401.93 6031191.16 7138699.60 5963283.88 5868958.29 685393.64 2467877.96 3450994.81 3870667.94 1076811.92
Butalbital
5675892.49 1224597.95 1055771.19 9963002.16 7232777.94 400739.54 348812.89 339832.87 376863.44 407064.68
Butanoic acid
1868392.43 2842895.40 3556483.31 3287040.50 3372555.84 5850506.50 6229683.99 5742174.31 5072403.13 5779267.33
Butyrylcarnitine (Car(4:0))
2074651899.22 957720441.18 1223813916.23 1580603899.33 955013454.32 123089575.30 86469580.52 64026659.83 89418539.86 100517869.01
Cafestol
4546045.87 4840979.15 5065314.77 4314978.45 10021515.17 257055.21 320334.97 96398.46 409437.00 262352.06
Calcipotriol
451621.30 1283033.94 519022.48 394533.84 1156957.58 1167995.37 2326747.86 2788028.79 1430352.17 824626.78
Caplamin
88841650.13 163401143.83 194929348.62 204666154.53 152261598.91 16125556.80 7617496.46 10048079.78 14056981.44 16277021.49
Caprolactam
2180831.80 3375365.75 2682964.60 3305265.32 2359687.61 4682398.57 4646921.68 5132344.34 4085250.31 4475051.96
Car(18:0)
169491643.99 474104841.33 545673009.09 411343917.43 278382574.80 395653.17 2004587.26 3274081.07 1054544.00 407702.73
Car(18:1)
211235646.23 394529087.78 365913098.31 226249262.42 296358562.97 82997605.04 317142622.27 311934791.27 148019633.45 56376985.04
Carbadox
12289959.63 2908612.91 5327954.18 7111955.55 37349243.34 7639853.37 6519312.46 5676035.72 9275292.15 5711163.45
Carbamic acid, [(3,4-dichlorophenyl)methyl]-, (1S)-2,3-dihyd...
12240963.46 14245780.63 13179274.78 13268515.78 13276036.97 98756563.50 98308411.77 112909484.60 96533474.56 95600156.62
Carbidopa
1099744.25 8055406.83 3357260.85 2778931.23 1757037.90 1281510.51 2859470.50 2590713.21 2083814.68 1229816.60
Carnitine
4843899483.00 4158386021.67 5147656902.33 6095126708.83 5941937047.83 847663273.95 708770904.18 633569664.15 797522413.38 803610111.75
Carnosine
469596.40 245454.21 336043.96 291626.76 253455.71 2291655.84 2966962.12 2537834.34 2637769.55 4663786.87
Cer(d18:1/16:0)
67240375.56 59591521.58 85383728.83 70433737.88 207153672.98 15666045.48 29638807.96 29282971.59 18544536.06 12318451.04
cis-4-Decenoylcarnitine
1234724.21 4284335.85 2934395.58 2500644.44 2728639.83 2898283.23 2737143.25 2432647.22 2257591.47 1878323.10
Cohibin_D
4407388.30 2438959.77 3857235.60 2593612.90 1751692.23 1902721.22 1490765.46 1614801.24 2435277.30 1811931.15
Creatine
2045100784.33 1279683925.82 1102204340.78 1181479113.30 619731914.67 118288119.31 212635817.67 200084508.93 152858470.24 143097534.27
Creatinine
187125622.22 336422561.75 288342724.47 273019431.53 298254070.45 733715962.27 1483604182.82 1642040860.67 964269761.38 730108335.23
Crotonic acid
41493768.74 57793890.77 61526693.95 67502770.87 64231790.82 815327.88 1217310.53 1120742.38 1088970.56 2347381.72
CRUSTECDYSONE
7439840.54 8240199.27 7697153.90 10980592.88 5151543.73 11312610.62 10221666.31 9571345.22 8870905.02 8766673.41
Cyanazine
38278068.57 4836822.45 8111784.19 10023612.34 64788805.59 18792568.58 12799790.51 13289473.64 20463288.62 18056069.50
Cyclocytidine
1127677698.67 144777676.11 218579882.20 257461877.75 1034821854.88 190338516.35 132059689.10 134365163.53 193418555.37 177355491.12
Cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol
11299651.97 23618602.22 30508669.87 21438621.91 16828916.79 3800193.00 4500659.68 3681372.73 7845610.80 2078469.18
CYCLOPENTANONE
13584801.89 43274477.10 41907518.03 53869742.29 15442668.26 5329165.25 3907166.68 4635795.35 4704159.11 5499154.80
Cysteine-glutathione disulfide
6743544.86 15856625.41 19052126.76 20618322.25 4649914.75 2393571.88 4128010.42 4813183.86 2982171.54 2032212.84
Cytidine
56217980.94 191046509.72 276222853.59 262362665.85 89892139.11 13726420.26 15571033.79 15104109.02 23091898.26 12902884.93
Cytosine
54144495.87 128063727.30 191471367.88 176199117.33 81349734.42 32017984.70 36749069.65 39507124.60 26788120.99 25112528.87
Daltogen
4152981.85 7574256.02 5299011.30 9055615.93 7096218.25 7286396.92 9913780.50 12938060.16 14794594.87 9480019.07
Daminozide
6443507.12 2742485.41 3521177.21 9365702.84 14386702.56 4773367.64 7287968.96 8899247.12 5623636.55 4478127.55
Damnacanthal
3315229.38 3779345.87 4650784.44 3902190.48 6884096.94 702778.92 1802662.38 2938329.71 1085961.70 1074346.85
Decamethylcyclopentasiloxane
6642527.03 6114067.72 4092786.04 3864905.67 5251135.07 14341519.73 12011598.52 14240956.00 11817603.29 17288406.41
Decanoylcarnitine (Car(10:0))
843720.73 2650703.04 1499771.31 1314562.29 1317765.45 2503532.36 3335382.42 2435549.36 2806638.67 2104943.39
Decenedioylcarnitine (Car(10:1-O2))
771783.43 568447.41 2377803.43 4269036.29 947334.23 787957.21 3096143.90 3903739.04 990944.30 381399.58
.delta.-Tocotrienol
116900.21 239597.03 171191.98 187876.83 189267.94 1680611.89 7068156.66 4754916.47 2803771.68 1167423.98
Deschloronornidulin
2071938.39 2033231.70 1905048.92 1859276.76 1994274.26 5075024.98 3928172.58 3970674.10 3943420.18 5268114.54
Desisopropyldisopyramide
1665240.77 3767424.39 3371741.39 3306656.78 1185160.76 3614822.79 4733290.04 3577478.73 3202019.38 2627215.47
DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0)
1952740.85 669412.56 914921.44 979228.15 1661808.46 1087572.19 1293817.42 1572494.86 1548464.76 1668348.37
Didemethylmifepristone
1881592.56 1245296.92 1557670.48 1582030.74 1836876.30 5001583.80 2323444.20 3409867.23 6822340.63 954794.96
Diethanolamine
43713287.46 46722185.91 48585564.52 41140182.22 31600900.81 4161344.20 12953508.65 13910908.40 26235512.05 3804556.49
(Diethylamino)(oxo)acetic acid
3289468.91 3248329.88 3733471.52 3703135.88 4788885.74 783805.68 1697573.80 1939409.29 902885.23 767652.26
Dihydrothymine
3015768.31 4534073.77 3394350.66 4685626.71 3378507.30 3819249.48 2240516.32 2154843.07 2305464.47 3702148.41
Dihydroxyacetone_Phosphate_Acyl_Ester
20926278.34 22279405.43 13107360.93 13495988.91 12746752.77 10795315.39 7610636.71 8085708.78 8158819.50 9500509.60
Diisopropyl_sulfide
4081777.47 6773817.76 9708747.45 6034350.46 4665229.85 7276486.49 9284886.32 8211616.56 10098624.57 9716544.46
Dimethylethanolamine
5253668.53 8490263.86 6442230.11 7787906.55 7504386.36 18137189.48 19507399.69 12844041.88 13416037.51 25133811.80
Dimethylglycine
1433480.33 4313593.00 2273649.20 2181858.82 1810876.26 45092859.01 80993596.30 94851345.41 68757280.33 39241789.77
Diuron-desdimethyl
13480894.19 12696021.39 12610377.80 13252383.09 12836590.42 2055009.18 3516287.20 3713055.49 2604538.16 1982230.62
DL-Homocysteine thiolactone
7995229.28 8157030.23 11944122.52 10985619.40 6171780.85 13965896.41 9998625.60 9345893.00 17168949.27 18393728.54
DMPO
2180831.80 3375365.75 2682964.60 3305265.32 2359687.61 4682398.57 4646921.68 5132344.34 4085250.31 4475051.96
Docos-13-enoylcarnitine
9256292.68 11448584.26 15333481.06 13166265.46 7733266.28 1252280.06 1008100.65 721515.26 1036518.67 1273147.37
Dodemorph
12667936.08 38257568.69 32899062.70 34122543.81 24529609.73 29330750.48 28732354.12 20260396.99 52497689.15 33199049.58
Donhexocin
470135.27 238254.42 380251.68 755018.28 510565.64 584869.31 1466701.21 613812.73 445444.07 579046.95
Drostanolone propionate
1123912.95 2000110.47 1882689.93 2063446.19 1349266.07 9698450.54 5995295.22 6908321.62 10517793.73 9002316.24
Dye X-5380-110B
1155355.05 1248912.78 1467442.69 1724390.16 1540652.67 492932.76 1204517.46 1772985.97 905272.56 832427.97
EDTA
16705800.21 3625821.93 4503035.07 4220236.43 6480960.39 771235.56 9077080.52 685925.57 824254.47 926878.49
Eicosadienoylcarnitine
24774214.64 61987670.57 51935173.64 38677979.42 31471710.21 2763002.48 7696701.50 6819525.14 2787511.63 1879179.57
Eicoseneoylcarnitine (Car(20:1))
37942274.85 92512874.52 88023723.63 64409619.60 57162376.02 3322827.23 12822471.43 11803994.03 5219755.15 2397710.17
Emetamine
215839.21 173469.99 283813.26 211607.84 259361.86 289067.77 167631.32 146786.86 175213.97 531718.80
Epinephrine
11692518.05 12621457.86 16737194.67 16997457.59 22666273.53 2531840.12 11538960.20 3226508.86 2514738.37 2632109.88
Eplerenone
101390460.33 98266424.12 176691840.91 306290660.62 175527608.55 419804992.02 564907686.70 801631040.10 446294390.26 527778933.32
Ethanol, 2-[[3-(2,3-dichlorophenoxy)propyl]amino]-
1182858.61 2545444.16 2877354.52 3118754.26 1677597.97 1278875.13 1501230.06 1454405.37 1362702.12 1417913.57
Ethephon
25556776.02 28943410.40 33266081.97 32002112.88 34242808.75 712783.93 536561.67 333641.57 541665.33 571210.50
Ethyl 2-(allylamino)-4-methyl-1,3-thiazole-5-carboxylate
30332992.53 6939146.62 5779866.96 22672133.98 28583585.52 715347.73 726715.93 119808.04 1110342.03 2602479.00
Ethyl 2-amino-4-phenylthiophene-3-carboxylate
3194385.68 4337482.67 5006023.07 5231020.86 3271531.13 405394.55 458546.25 477948.75 408927.81 483693.61
Ethyl 5-(2-chloroacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxyla...
4811371.66 4056284.95 3916080.11 3965381.14 4032093.45 1332554.92 3215573.96 4817709.63 2413120.14 2411462.98
Etofylline
6190890.33 835177.21 1099220.12 1348390.13 5895201.87 1182036.27 902582.00 934730.88 1192108.72 1121279.87
Fagomine
3929885.17 2833519.56 4740771.92 5052258.03 5771205.12 8783357.41 4517457.88 4850177.96 7362685.47 7824379.97
Falimint
692051.03 1216607.12 1283972.48 1177427.42 776091.69 2329116.02 2922234.45 1987897.42 2785836.45 3678436.22
Ferulic acid 4-O-glucuronide
984318.85 798173.22 626811.90 591882.38 865653.16 2892372.98 2394174.82 3109570.77 2198318.48 3559282.16
Flurandrenolide
275908.09 180477.23 285110.85 256064.62 830138.09 771336.42 914380.16 1013374.30 799326.94 1540718.26
Fluticasone_propionate
30148153.09 604323.55 1691958.54 2448069.38 39124205.40 484403.17 269392.80 226356.03 360070.63 438662.65
Fomepizole
18877642.90 22493014.54 17150660.76 19785724.09 14000532.48 6386786.98 10310468.12 6986057.18 6129979.06 6317460.96
Formiminoglutamic acid
13065421.35 7769511.66 11432415.45 10237829.00 10060738.90 11756354.02 25919002.40 13900540.88 6524827.38 3859654.01
Fructose
2578290.84 5381681.53 3135693.70 3290217.95 3600418.18 229592315.63 74278444.55 71811989.83 128494773.65 236842808.90
Furcelleran
52943.91 152935.68 114171.66 106001.30 52367.91 63557.29 1479463.14 805410.22 398863.02 197794.17
Gabapentin
13330369.69 10671010.33 14023713.03 11827672.39 21304119.01 5593017.91 5298702.98 5581164.74 13404501.91 6205778.49
Galactose
2578290.84 5381681.53 3135693.70 3290217.95 3600418.18 229592315.63 74278444.55 71811989.83 128494773.65 236842808.90
gamma-Glutamylalanine
6779186.57 3285048.81 5016332.09 4942879.57 5433631.87 1584794.94 1556669.25 1661617.17 2176027.20 1545760.69
gamma-Glutamylglutamic acid
19059709.14 30567413.12 58408919.37 50247482.62 16368471.98 546975.03 829919.48 739853.19 767546.17 288251.45
gamma-Glutamylglutamine
1680336.03 838980.35 1217263.75 1369250.31 1169169.88 31924548.57 55180978.17 59607426.00 44100942.63 28079899.84
gamma-Glutamyllysine
1234900.42 2903550.47 2239698.52 1704001.47 600413.32 5204813.84 4619573.47 4359999.67 4353857.10 4125534.53
Gentamicin
53079092.30 6439817.28 8861756.59 12351174.26 164524200.98 17395519.93 22370090.57 30658324.87 18944325.19 15608486.87
Glabrone
4441717.45 12154989.89 14602748.75 11986924.69 5169079.17 1553757.44 2564903.15 3225074.90 1890486.99 1062533.92
GlcCer(d18:1/16:0)
3612055.61 5698384.43 6744885.09 3882553.62 3507548.74 37068552.06 64574704.78 82744279.37 41987954.08 36608500.24
Gln-Gln
513824.35 188997.91 256306.85 302459.59 269270.04 417082.25 2499624.54 1085249.66 476394.92 377287.28
Glutamate
246647558.93 369118935.27 525380120.85 578086696.35 287012339.07 12785679.47 15568167.86 13925288.92 24414525.72 13277483.05
Glutamine
391237703.00 795289763.20 854785940.07 808697894.58 496415532.15 238294869.90 352954763.95 348702487.98 251697853.78 188695852.68
Glutathione disulfide
38550079.58 36904348.58 53731789.65 73305578.92 42961102.05 1756007.34 1389747.36 1703065.28 1944463.32 1240371.34
Glycerophosphocholine
9790159625.67 2084358183.57 3977169847.83 4786746907.33 18259998347.67 2537411564.00 1710507410.33 1738890439.67 2676708155.83 2258996398.33
Glycerophospho-N-palmitoylethanolamine
96461218.22 172626037.91 150375571.10 188249251.62 116797024.73 144877067.37 166927586.70 206758669.67 185580268.90 137903444.45
Glycine
14373957.60 14153296.67 18748399.79 31756743.97 21093032.00 865919.92 734523.50 578429.52 876854.87 914457.36
Glycyl-Lysine
11078243.39 9141662.61 10379503.75 8305076.38 3049569.71 942991.02 1736940.41 900339.17 922382.97 997823.62
Guanidoacetic acid
13038299.42 6552440.56 6640068.94 7764814.81 14871065.41 2673952.39 2384880.22 1632643.29 2214795.53 3182396.07
Haplamine
32994546.68 9640106.00 15936182.77 14928083.07 133111349.78 6519950.44 4524076.79 6858217.09 8585158.15 7348562.31
Hemin cation
3638474.51 8035066.08 5044534.32 5625295.50 3739584.76 877173.77 1611554.61 760365.95 674517.20 804017.36
Heptadecanoyl_carnitine
14516156.36 28448688.31 29476773.13 21381887.01 23934481.29 1941848.63 6709138.21 7164191.17 3729382.87 1779806.20
Heptadecasphinganine
1687232.25 3073563.69 3944044.96 3492730.59 3850201.65 10726836.51 31031367.98 20161984.88 18869002.71 13880248.37
Heptanedioic acid, 1-(2-cyclopentylidenehydrazide)
33255255.41 57373023.71 64404856.94 62383750.18 51834613.74 2633000.85 4835631.98 4543665.31 4507184.30 2463049.49
Heptanoylcarnitine (Car(7:0))
6430075.99 4442008.42 6241727.69 4255378.40 5331613.09 917142.26 948402.91 865587.97 846062.87 755977.66
Hexadecenedioylcarnitine (Car(16:1-O2))
576190.05 593677.32 972607.34 265455.02 620455.67 670792.78 1887085.30 1463799.77 570811.28 781416.04
Hexaethylene glycol
7557515.51 8108301.58 14722080.93 8816248.84 18296683.30 14504562.85 14181933.75 16447717.76 12051992.98 19693039.47
Hexanoylcarnitine (Car(6:0))
54847639.62 72994698.52 81613982.20 75953533.30 43591046.88 26156482.52 22387001.61 19754374.73 20851033.47 20018228.06
Hexenoylcarnitine (Car(6:1))
3277196.45 3703540.97 4324532.34 4776371.12 4959830.44 1995843.60 1853446.26 1581650.86 1895308.61 1667123.46
Histamine
61298631.12 184672862.41 329791371.24 168831950.03 31615391.74 16529599.86 19499616.64 17600153.47 19307958.61 20599475.76
Histidine
30319196.96 99550321.61 107142310.22 124536500.32 55064128.24 2729846.15 3024860.65 2479333.01 2460401.14 2888291.15
Homoarecoline
2739057.39 4520222.22 5248865.18 4773143.12 2485615.89 1353754.19 1278984.79 1266541.78 3240802.61 1514866.03
Hygric acid
3707001.21 4679085.49 3409654.89 3105035.58 2218164.79 16385049.73 10568658.53 9908719.87 10154691.44 18796216.12
Hymexazole
2434561.71 2790990.94 2001035.86 1681335.38 1320779.85 1490165.59 1494380.26 1338109.18 1303862.44 1525326.67
Hypoxanthine
3081391606.50 3841232402.17 4157051050.83 5200609698.83 5098215588.83 52687723.55 865932307.42 2242344296.60 597087697.25 179484171.39
Ile-Leu
76066031.24 29794849.45 39820161.54 35458107.59 94798298.16 462686.48 410373.33 465323.37 237084.78 108454.91
Imidazoleacetic acid
2607482.92 2025815.70 1836228.62 1272382.14 1746705.54 1490747.88 1979317.40 1938372.96 1067848.91 987246.99
Inosine
373797338.13 359466419.45 411592845.12 398836556.45 355380934.10 1937638.62 16122411.74 58349823.82 15153497.55 5253472.01
IS4
18442186.70 24359568.42 27438962.33 29261279.88 25666560.63 26642034.90 26862358.19 27087923.93 26062186.22 25602080.97
IS5
326342505.45 497553811.97 543301387.50 572453224.82 599170148.38 129121169.50 123668733.31 145952254.28 95989133.78 105834128.43
IS6
40809666.82 58505774.24 61571419.83 72608532.48 82103247.05 65710469.93 58830104.75 59479567.53 58515181.69 64926375.00
Isobutyrylcarnitine (Car(4:0))
2074651899.22 957720441.18 1223813916.23 1580603899.33 955013454.32 123089575.30 86469580.52 64026659.83 89418539.86 100517869.01
Isodesmosine
29292974.19 25311929.22 25086417.68 31824296.23 30027242.62 85991541.45 166560148.17 229023790.72 93776883.69 59554090.79
Isoleucine
450627056.43 969121122.63 1004832485.67 1100611742.62 788457937.15 146873827.26 217576871.45 171998432.12 137202311.35 148945138.38
Isonicotinic acid
4305082.85 1465698.86 1492320.63 5732073.62 1616325.01 453982.42 302251.73 335261.23 373137.49 541250.05
Isopongaflavone
933092.30 2719009.39 2997223.76 3635656.79 1192000.42 694701.85 1267263.63 1330450.27 970365.87 1123184.44
Isopropalin
27291264.79 43192466.39 52869691.10 57455042.70 55981104.24 2206829.27 3883478.32 3487090.22 5401943.85 1631924.59
Isovalerylcarnitine (Car(5:0))
559403203.35 722212240.20 1239359493.92 765255367.73 580192716.50 56895594.20 64839664.57 41224385.62 72350724.44 60981552.55
Isoverticine
2591567.79 99164.12 - 246711.74 11381716.92 123412.27 495740.14 880179.73 347120.71 75077.25
Kynurenine
895323.67 18031506.77 21978973.62 14677568.98 6570532.62 1307651.97 1965907.63 2065118.48 1731039.73 2186528.13
Lauramine oxide
47377196.44 96683869.81 96834194.02 107537624.92 133174294.17 952889.88 2031646.46 2375870.46 1556721.52 1011943.99
Lauric diethanolamide
3288663.71 3880299.86 4659522.09 4205682.97 3070507.76 1505308.62 1585072.48 1631727.96 1454749.69 1471263.77
Lauroylcarnitine
9667392.82 16129280.15 12267230.72 9315596.31 9087944.86 14444069.02 18416173.68 13187300.41 16299527.90 12003829.07
L-Azetidine-2-carboxylic acid
2630982.94 2767613.68 2429466.34 2464431.35 3177125.18 2979150.24 3060675.53 3102066.68 3239624.81 3143786.03
Leucine
450627056.43 969121122.63 1004832485.67 1100611742.62 788457937.15 146873827.26 217576871.45 171998432.12 137202311.35 148945138.38
Leu-Ile
76066031.24 29794849.45 39820161.54 35458107.59 94798298.16 462686.48 410373.33 465323.37 237084.78 108454.91
L-Homoserine lactone
2190190.81 1983764.39 2100289.60 2163444.07 2741936.90 14651050.40 21755475.07 18494298.27 18477343.33 11416535.02
Ligustrazine
1412067.22 3796606.59 2196817.60 1161350.22 1011241.63 969291.82 1334615.07 1372842.06 828361.75 1080680.75
Linoleamide
9594651.06 8705258.83 9214647.01 11039776.92 19832479.82 2322942.71 2078853.27 1356221.07 3534646.53 8845829.40
L-Menthone_1,2-glycerol_ketal
3182210.73 12342897.44 15065306.92 12075666.77 24005315.16 1038955.08 1665369.94 1902106.47 1429674.22 898434.67
L-NG-Monomethylarginine
20283782.73 28819695.10 51372693.37 58226098.61 26987664.55 31362645.31 17093496.91 13432001.30 19235856.92 32170583.09
Lotaustralin
14877407.87 11481019.91 18928788.18 28913087.01 47994211.98 6189003.02 13556845.73 11574548.29 9067810.11 7298707.91
LPC(16:0)
3149899902.17 4157172193.30 4813316450.18 5311189730.50 3269567772.50 13622000120.83 17465380526.50 21162007707.50 18320131769.33 15491890791.17
LPC(17:0/0:0)
87771883.11 95287490.82 106805737.63 129727768.89 89295532.24 333343038.50 343361884.75 455002919.22 399829606.15 362727133.80
LPC(18:1)
9391447.46 14166590.39 13441027.25 18264917.49 13955144.60 44771504.87 40823907.42 58480501.71 55857581.41 39952450.45
LPC(18:2/0:0)
272529616.64 291421951.27 334537829.84 367808548.77 173969765.79 7008555359.67 5091853436.50 4131598687.17 6963892109.67 8060623750.00
LPC(19:0)
229354.24 148900.61 227891.57 160679.95 1413361.47 12093762.02 12812951.11 11171397.19 14870802.01 13179015.85
LPC(22:6)
94270077.15 66445279.29 66828083.80 78895599.02 126886435.91 1685450.94 1521357.86 1533395.79 1261689.30 1016094.28
LPC(O-20:0)
27177300.14 7405157.05 8127601.92 9894012.87 55362662.46 13105880.50 8394645.47 25738130.10 15663509.15 18743328.57
LPC(O-22:1)
29249042.45 4436134.63 4720436.56 6098472.61 101637769.84 4241511.70 1973445.30 4823248.81 4253855.84 5068189.31
LPE(18:1(9Z)/0:0)
31841565.48 73681847.57 61028918.91 86138064.53 39485957.03 63642596.32 45054689.59 46137810.18 68843176.03 57059554.24
LPE(P-16:0)
1209620570.63 329754873.20 395942270.38 464588934.68 3447202669.67 14443770.58 19099444.26 19774638.69 31367752.33 17831212.01
LPG(18:1(9Z))
2145285.50 6353040.57 4169854.25 5621152.35 1942514.87 2705025.39 3830184.56 3773576.59 2804128.80 3596401.85
LPI(18:0)
2886362.72 3110215.46 4561099.69 4284631.52 3635123.18 1928749.46 2761819.15 2868186.63 4547613.65 2269650.76
LPI(18:2)
213015.41 739753.63 669717.66 626943.47 230840.33 4096927.67 1664896.68 1953519.40 7011010.54 4951082.67
LPI(20:4)
1881445.09 3373937.77 3509420.14 3535603.73 2233908.72 26093520.18 15585515.02 18525562.81 26834206.79 30483613.47
L-Serine methyl ester
20777974.40 18984467.61 21290706.77 20881023.81 32815516.66 10204306.82 6092781.36 6080989.85 6427024.42 15994194.19
Luotonin F
23917038.82 18791486.32 12850803.21 14619473.95 5143917.43 163081.08 3883255.09 5152103.25 1794467.58 461781.00
Lys-Ala
9579022.68 6298990.13 8264000.24 6410885.69 2432585.97 1499879.76 1662754.57 2256257.81 1492559.26 1916825.49
Lysine
44177570.44 99847350.31 99328823.28 106230378.42 57888779.62 192475487.20 152321303.72 129804049.67 119011600.38 159765264.22
Lysionotin
815109.35 446401.87 289350.14 613603.48 795800.98 3947965.44 4101219.90 4537876.94 3179298.01 4727856.01
Lys-Leu
3602342.16 1841975.08 2401610.11 1976937.99 1532327.07 758471.65 1788994.34 1351525.08 1012525.28 662038.00
LysoPC(0:0/18:0)
47244873.74 58332821.62 52352806.94 65509953.65 25565347.11 8024882.99 2165328.14 2558810.07 6982304.43 2698176.83
LysoPC(18:3(6Z,9Z,12Z))
72859158.54 94848144.93 93679325.71 113946017.48 55408544.51 247555319.38 292479168.75 273260979.93 236383472.08 280809198.77
LysoPC(22:1(13Z))
31543071.24 23412177.41 26818766.60 61767284.84 37577492.47 14389759.11 14213423.61 20916218.61 22703124.48 16437199.53
LysoPC(22:5(7Z,10Z,13Z,16Z,19Z))
15441316.75 10576880.86 10880874.14 12958369.63 21533235.87 100080214.19 24252268.68 27081996.28 148788199.73 30868147.93
LysoPC(24:1(15Z))
13383675.37 7930850.87 10920982.22 27492813.73 15707018.33 24040513.92 20276800.27 24739128.43 26785209.31 25721243.98
Lys-Val
10426950.69 6637860.23 7781137.35 6405076.58 4393647.35 18720965.49 23157112.81 17672934.11 26193090.46 18958955.18
Mangiferdesmethylursanone
26164049.33 29587279.58 40156169.91 34944775.92 32529980.43 114148689.60 159813001.82 210825228.63 155280476.73 116306200.73
Maslinic_acid_3-O-b-D-glucoside
167347.31 149331.01 176059.86 130249.15 162349.99 465535.02 459117.18 460246.77 439825.48 454515.45
MeAIB
198584768.07 384972521.20 425302992.61 457584577.25 291911017.87 37425756.58 29026350.31 48213939.42 32555988.08 30474007.66
Melatonin
12286496.64 17286979.01 10570526.74 17941028.46 3684043.45 11263851.73 9730426.21 866566.78 10993766.65 3200513.54
Mesotrione
19195733.22 22407063.85 20439638.65 20449068.29 21602848.08 140112738.97 151391143.07 172996196.62 152404374.68 146890775.43
Methanone, [1-(5-fluoropentyl)-6-nitro-1H-indol-3-yl]-1-naph...
377491.45 366515.54 541976.17 489166.71 973823.10 1547023.43 694350.70 629432.42 714953.23 2365278.10
Methionine
120084330.72 233293764.74 269424934.19 318626673.12 213991901.90 158228323.28 93029825.47 54342949.79 157498004.15 197643647.15
Methionine sulfoxide
3187112.63 2897109.20 3489143.19 5201849.89 4599683.78 3353540.08 3084086.39 1687108.06 4904020.48 5749706.14
Methocarbamol
1577399.91 8399770.22 9117013.14 7230889.45 2903116.37 874009.54 2092019.07 2185447.75 1350083.12 979005.04
Methylguanidine
7991524.09 5362576.78 5929618.45 4462677.35 4480840.83 2192958.20 3339973.35 1943524.63 2448491.39 3646420.44
Methylimidazoleacetic acid
671797.91 695202.84 449138.11 734074.84 775659.92 6455794.00 13112754.39 9154276.47 6473295.19 5867473.65
Met-Thr
6520879.79 2446658.87 3719057.59 2454778.51 5986612.13 203821.60 203641.92 138263.40 287647.49 180730.81
Miglitol
12834656.19 13448104.76 15073902.39 15023167.70 16823128.05 3256467.80 3969742.49 5152510.16 3071671.09 2022946.82
Miltirone
2905791.89 2584533.94 3262895.22 3194388.08 1576986.22 2927900.19 1408610.95 1429661.42 1931513.48 2782646.76
Mintsulfide
21796246.51 23811060.86 28841160.20 32434570.54 31043684.10 17495569.21 19140151.04 15775035.49 18283064.86 19570591.02
MLS002638110-01!PREDNISOLONE50-24-8
615497.80 1037729.58 711019.52 966672.21 315583.21 350602.33 2545364.83 1881887.69 745500.48 195391.12
Moxonidine
205783291.55 15372343.74 27511253.28 36087817.93 408621821.30 95640267.86 57530814.74 59862890.12 97684120.63 91871768.99
Myriocin
886901.56 2854217.83 1921827.37 1164167.74 868692.23 373173.03 1136352.71 923064.09 376418.63 380619.94
N1-Methyl-2-pyridone-5-carboxamide
631361.00 5101943.35 1351594.71 812206.34 1191768.87 3573699.64 10149013.26 3837449.80 2501790.90 1845790.43
N1-Methyl-4-pyridone-3-carboxamide
631361.00 5101943.35 1351594.71 812206.34 1191768.87 3573699.64 10149013.26 3837449.80 2501790.90 1845790.43
N1,N8-Diacetylspermidine
19196728.96 5790816.01 4287549.98 17882005.25 3347525.67 126069.53 222365.77 292955.37 123356.64 121131.67
N2,N2-Dimethylguanosine
3099025.20 8108290.64 9734951.91 15044912.30 7944032.25 552809.05 635474.99 569756.47 825416.20 518361.29
N4-Acetylcytidine
601002.58 1682240.75 2189566.90 2081798.60 1053955.34 14962810.24 30430144.20 36323582.66 22033588.02 9596972.38
N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamid...
31726845.42 54007634.03 76211782.43 85827344.25 121667746.37 3267072.22 6433044.98 6443655.56 4950869.80 4283159.45
N5-(1-Iminoethyl)-L-ornithine
3745857.50 4295287.35 4040820.89 4951861.34 1707788.86 2977799.06 4779341.75 5477713.74 3672641.30 3023837.00
N6,N6,N6-Trimethyllysine
28820715.72 71503320.70 56764238.99 57352635.16 35851630.23 51405489.65 109764278.22 96063558.22 76638970.48 45058861.16
N-Acetylaspartylglutamate (NAAG)
523302.78 1006734.20 2750074.92 1763402.59 408999.21 700348.14 1047377.89 1100532.67 825431.55 1032568.72
N-Acetyl-D-galactosaminitol
1521689.59 2149562.67 2249304.74 2638711.84 3103392.27 197314.91 409766.40 384873.65 365111.60 224488.75
N-Acetylhistamine
21050118.60 79700945.01 44416543.92 26978008.11 4054134.93 1151916.13 4479715.21 3263571.44 4472984.91 940879.26
N-Acetylhistidine
309737.09 543044.37 428276.56 347785.82 247900.52 5694024.08 22879426.35 14318688.86 8106854.57 5340078.79
N-Acetylmannosamine
3478301.85 13064999.19 7245703.83 7653994.13 7726790.47 407720.62 2177501.10 1823410.56 2033627.43 1243878.52
N-Acetylputrescine
4291453.21 10707368.60 14549532.61 5945857.97 3467632.71 722806.83 1149886.19 1540793.52 889680.82 598935.32
N-Acetylsulfamethoxazole
172033547.78 90160149.66 134017376.26 158649608.38 169892479.65 85207642.89 87923120.02 86560777.74 92170072.45 81443072.16
Nadolol
291954.62 4046503.38 4117995.80 2436735.29 378876.75 285237.40 1212755.96 1350274.87 1189739.58 365174.80
Na,Na-Dimethylhistamine
4603558.73 3999869.37 3106184.93 3112439.88 3583639.81 1123718.83 1100131.58 516726.47 913091.70 1671259.34
N-Arachidonoyldopamine
117941599.06 22898031.88 29487695.45 34313074.49 486781481.57 3595860.45 3033368.71 4083619.61 6773220.93 5273237.02
N-Arachidonoyl-L-serine
331844.35 276619.94 246223.66 293641.46 384228.36 2057359.32 3139650.31 3597585.92 2442696.52 1588364.89
N-Demethylmifepristone
677017.59 792550.55 1033480.56 1471603.02 632331.10 130875.81 172120.56 138687.79 202001.01 164487.96
Nervonyl carnitine [M]
1225901.95 1675079.93 2899798.20 2451112.25 1313683.30 1284803.30 3015310.75 4134869.39 2281217.54 1977475.22
Nicotinamide
452537275.17 543884467.75 622140774.48 548349846.78 696547138.52 67895162.84 103895977.05 81611370.49 121391974.62 139026230.69
Nicotinamide N-oxide
6131139.63 9059584.64 6050739.09 7915015.55 8589552.45 22927759.30 29011994.08 20524464.63 30797678.59 24283566.71
Nicotinamide riboside (NR)
4789067.59 7437960.81 8246872.48 10219829.49 7807638.06 1329616.74 3439746.66 8053679.69 3286272.62 1740154.89
Nicotinate
4305082.85 1465698.86 1492320.63 5732073.62 1616325.01 453982.42 302251.73 335261.23 373137.49 541250.05
N-Methyl-D-aspartic acid
7130504.31 7003763.12 6571633.60 7010647.04 7446400.78 4514331.34 1784859.54 1459188.14 2715298.28 4043720.87
N-Methylglutamic acid
3346467.96 3081047.82 3629238.80 3958856.08 5650687.11 2713723.06 1944728.73 1932823.95 2099967.69 2633915.15
N-Methylglycine N,N-dimethylamide
4341889.44 2405022.70 3405048.33 3312253.74 3756197.81 5533020.58 3498447.63 3828773.64 4274643.38 4717130.71
N-Methyl-L-proline
4769048.59 3165379.47 3451632.17 3324618.72 4141013.76 6065617.30 2868304.02 2936442.10 3521443.61 5986468.56
N-Methyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]amine
1766015.40 720601.58 915860.80 986750.27 3601055.76 5670126.57 1518709.67 1445361.94 1764444.83 3262527.98
N-Methylnicotinamide
1869938.23 3324333.93 1981599.10 1232659.01 945846.78 4437673.63 6508890.81 7222305.86 3804012.55 5123398.99
N-Methyltrimethylacetamide
1551947.65 1150214.68 1306808.57 1152699.47 823373.50 870752.98 1436009.95 1302804.52 1292295.43 816538.30
N,N-Dimethylarginine (ADMA)
116687938.88 187122273.03 254165058.07 354741441.15 117628693.75 120568753.82 96864591.99 89879062.38 102289535.86 93564135.28
N,N^-Dimethylurea
4967609.15 3139885.02 8059106.79 3209233.99 10171990.56 4349845.09 3813389.45 2252346.59 4381220.04 6058085.25
N-Nitrosopyrrolidine
3624880.40 7381413.26 7334251.22 7074654.44 4415899.92 2392201.30 4232238.89 4282624.60 3162331.29 2137159.11
Nobiletin
179905.78 483262.45 805102.80 605935.83 480477.73 1539696.55 1220740.43 1190723.56 1439298.51 1211065.65
N-Oleoyl-D-erythro-sphingosylphosphorylcholine
57117912.74 123578947.54 161341307.52 118147866.79 123772762.56 217129628.62 633935497.55 703457107.57 426485981.50 252733888.97
Nonadecanoylcarnitine (Car(19:0))
1068939.23 1868806.49 2369794.62 2317893.72 1045366.45 380232.85 1758086.04 2083085.49 831284.76 391896.88
Nonaethylene glycol
319215.23 108362.46 239227.76 241689.74 503795.05 1006672.13 1432477.67 1410087.31 1115123.01 2205562.93
Nonenoylcarnitine (Car(9:1))
503894.70 985193.30 1007719.37 690109.28 419645.53 1323138.83 853270.37 840331.78 701959.03 646929.30
Nootkatone
1695523.60 1775911.90 1696961.53 1744013.20 1801935.35 925678.28 1053828.20 704134.63 1683674.89 1198608.28
Norharmane
73079446.80 4380203.14 9508053.33 72704153.29 38073036.02 129713940.89 95482137.61 41684947.07 221562953.32 199005378.57
Norleucine
450627056.43 969121122.63 1004832485.67 1100611742.62 788457937.15 146873827.26 217576871.45 171998432.12 137202311.35 148945138.38
Normetanephrine
302134137.35 690442676.45 835519948.95 867280082.23 565620756.85 13575038.06 10759954.20 17008551.00 12482383.08 17345023.21
Octanoylcarnitine (Car(8:0))
3661207.12 5944064.64 5448120.30 3669667.02 2906423.62 6704680.23 6503974.57 5476077.61 6269293.84 5373765.56
o-Hydroxybenzylamine
3662945.41 3209755.70 2885580.61 3010379.24 2529594.49 2788016.26 356252.54 226230.14 199576.52 396994.79
Ophthalmic acid
2025554.29 1161266.88 1397089.76 837426.22 3623861.33 265480.81 2055931.43 2326902.78 828249.13 211416.77
Ornithine
12526350.75 21081417.62 23203272.38 22016931.93 20275956.82 119883931.15 99320077.02 106667663.62 60574587.27 47008788.13
O-t-Butyl-L-threonine methyl ester
2544610.71 4594980.18 6182823.32 5705231.62 7114591.44 1369476.19 3271906.51 1932298.86 2005906.30 1326436.25
Ouabain
508757.05 318640.10 764046.02 261555.61 1434459.92 326675.00 483052.58 783099.25 365334.92 1114268.90
Oxodecanoylcarnitine (Car(10:1-O))
1825600.60 3295499.21 3219687.62 2493700.04 3040981.48 1827352.00 3132313.27 2536253.17 2143155.96 1210729.22
Oxodecenoylcarnitine (Car(10:2-O))
836847.13 1043038.02 895954.55 1502001.70 2143833.83 339998.35 706649.14 588046.39 436790.91 292196.28
Oxohexadecadienoylcarnitine (Car(16:3-O))
506717.72 11670232.95 4505018.36 3912944.75 931567.66 1425624.83 1362383.87 962270.96 739308.00 1306655.45
Oxononanoylcarnitine (Car(9:1-O))
578268.17 1133219.35 1143230.96 785318.28 1023233.87 1625125.23 1795979.74 1236259.99 1056383.41 1320074.28
Oxopalmitoleylcarnitine (Car(16:2-O))
5183680.43 13694489.56 12982034.34 7691695.33 4385813.99 5157240.71 10422070.31 12022241.27 5389699.46 3782108.23
Oxopalmitoylcarnitine (Car(16:1-O))
17642511.80 33005560.97 34123556.44 23962323.28 13922321.89 7577475.87 29380761.59 22799307.24 11930620.22 5520628.35
Oxotridecenoylcarnitine (Car(13:2-O))
419041.16 2326133.25 949685.00 540392.58 952929.24 1713988.39 2216707.11 1945845.37 1031704.78 893673.23
Palmitamide
4545114.38 3726369.48 3252340.98 3626191.74 7407896.67 4610927.18 8060664.28 8729386.16 12675328.76 7599747.53
Palmitoleylcarnitine (Car(16:1))
49914885.44 56683968.75 48963896.17 36732123.92 77040036.44 18395363.58 57496540.20 45500929.91 27161083.13 12619439.10
Palmitoylcarnitine (Car(16:0))
543021646.57 847101468.08 877163954.26 706949667.33 771818304.07 57366471.12 170133441.37 151892953.79 103354043.32 46335195.63
Palmitoyleicosapentaenoyl phosphatidylcholine
12168577.88 8524223.15 17311178.42 23997384.85 12889081.57 163713780.98 152090404.57 142850550.97 167501909.85 184600785.33
Palmitoyl sphingomyelin
7589614.82 25052152.76 27615158.38 37483103.19 33260707.67 7070716098.33 18016550307.83 18799912601.00 12611498137.17 7286792893.33
PC(14:0/16:0)
172008888.86 97153742.74 148581346.07 195505365.07 144225945.49 21024874.04 16532258.75 13607139.53 18599079.20 18822416.54
PC(15:0/20:1(11Z))
15349326.09 18215536.50 21645571.00 30734661.01 19639983.14 92037795.18 71532696.12 96365630.04 102681641.77 82127629.98
PC(15:0/22:4(7Z,10Z,13Z,16Z))
24696776.32 21681961.87 23336910.68 25036279.30 27764973.49 124695358.82 76586098.56 82915644.89 87096788.49 110271538.02
PC(15:0/P-18:1(11Z))
6605611.55 6320519.63 8062862.37 7050015.08 11232478.00 20406157.12 12180980.28 14293603.78 25776221.56 22310255.15
PC(16:0/16:0)
17427522.14 72420781.81 128342359.33 76125060.87 132761091.19 116778011.33 87608549.12 82070132.37 113645534.11 109888244.76
PC(16:0/16:1(9Z))
23005937.47 46786649.79 37978875.20 48975316.38 21195664.99 18048636.26 12849419.56 14098147.23 14864002.51 11888592.51
PC(16:0/18:1(9Z))
62030390.73 282131467.79 436618123.66 359549170.94 309117511.12 1355401483.33 1409013906.83 1524882916.50 1399213577.50 1009410790.25
PC(16:0/20:4)
218429127.17 327034166.03 375442912.53 338286090.26 216202835.18 40058808.84 58690551.03 62796111.23 122147458.01 62206177.20
PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
4307197.98 6806125.14 7608815.22 9120754.31 4560859.45 33970402.67 23654839.39 23586608.81 23247337.73 21062298.37
PC(18:0)
803238.82 341919.19 318886.22 426582.73 2011732.81 580246.49 540201.35 483313.14 691596.38 714820.40
PC(18:0/14:0)
45654465.12 44757962.85 266995531.21 42892625.80 52476598.98 6137565.50 26532357.05 19860462.63 11198111.40 9439086.89
PC(18:0/18:1(9Z))
1353186.50 3432292.51 9557966.03 3687795.68 996785.73 855788178.37 1036895818.70 1068021322.10 1110442339.05 979663869.78
PC(18:1(11Z)/15:0)
63062716.48 44461626.70 52418141.50 80152590.34 67586166.97 54405789.13 36564972.05 36338715.36 52615766.57 37170736.79
PC(18:1(6Z)/18:1(6Z))
6308094.82 2895823.21 5367851.71 4000737.71 2208257.21 370403267.66 259209408.95 312552811.54 536366671.97 296415701.90
PC(18:1(9Z)/18:1(9Z))
4355600.00 6112593.96 5193475.63 7264413.99 5293413.70 370403267.66 259209408.95 312552811.54 536366671.97 296415701.90
PC(18:1(9Z)/P-18:0)
15138817.41 14615595.02 21011834.15 22718212.60 17357717.56 11099335.88 21301354.60 14407604.06 16146232.20 14502710.42
PC(18:2(9Z,12Z)/P-16:0)
21301599.54 37980949.33 49691985.59 41673118.51 17669986.03 21825826.09 13919692.31 16175358.89 22306858.23 17836943.20
PC(18:3(6Z,9Z,12Z)/15:0)
24059259.06 28285270.02 33114299.98 34206182.39 18551239.67 45903558.25 62301095.18 63212064.01 50628030.38 43769961.57
PC(18:3(6Z,9Z,12Z)/18:0)
247433.15 1124122.47 610108.10 855552.94 203045.50 6295126.42 23245914.47 24182657.04 10308248.98 6813192.09
PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z))
3198673.58 8036201.43 12936505.46 24277976.40 77826335.34 64324625.91 56424017.05 56952133.44 53136374.90 53992209.77
PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))
14199956.40 28924279.08 11768098.97 16473504.66 4374290.40 11979619.27 23497191.46 69125166.09 13889855.58 9469405.89
PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
2094765.98 3998995.16 3918708.29 5908000.30 1451424.96 22406626.85 16916861.12 98020913.07 68845361.10 13258355.13
PC(20:5(5Z,8Z,11Z,14Z,17Z)/15:0)
38617932.40 26639691.06 29471408.01 38975186.29 37393168.52 7881985.11 9221883.54 11048119.91 11258560.19 8036889.47
PC(22:2)
16128113.01 20602194.50 25932251.42 24872071.14 25533192.68 38093107.77 20331286.44 23907986.13 27604024.98 25677784.28
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
20243975.98 24690565.33 26068766.02 23524124.04 21634631.22 20201951.51 19370374.26 23836686.16 24675503.65 21493437.92
PC(31:0)
286842.01 1821330.44 906811.60 2365722.26 4565404.60 1245970.13 969369.75 1020961.09 1084930.29 618185.23
PC(34:3)
5374653.90 6782712.56 14810054.16 8298843.22 1741978.65 44365820.45 30134840.58 36094956.51 30569958.20 28402982.45
PC(37:4)
17005625.93 11742403.78 12052140.24 12403616.56 29738712.24 41848633.36 27653219.14 29887013.62 27247195.41 30707325.92
PC(37:6)
5265754.14 7774941.20 13176381.83 5247845.72 6754423.63 6541979.46 12266233.27 16327959.02 11277607.55 15495594.65
PC(40:7)
4292699.75 10405271.03 15614056.58 12318263.42 4816426.29 3931080.68 11367361.97 29335221.07 7434000.69 4642796.73
PC(42:10)
1711359.09 829181.74 1758637.12 1602768.59 1292965.42 38504422.02 31882891.51 33651109.75 32115316.83 28579950.14
PC(42:5)
12564971.27 8758128.10 8991698.29 13002084.32 14406829.01 43533927.60 30495172.91 46914188.66 55802091.89 54432988.00
PC(P-16:0/0:0)
1610502953.42 206278668.59 348794221.38 322889423.30 5494726875.33 58118702.73 63368232.67 81896106.90 68552910.95 66242361.62
PC(P-18:1(9Z)/0:0)
149574863.09 20515059.35 30713265.75 27923752.99 342445226.31 12064993.19 14455502.16 23730365.12 11335213.00 14321319.97
PC(P-32:0)
2838764.33 1994666.22 5380306.50 4082513.16 4353634.98 3826344.64 2444237.42 2603153.82 4490705.55 4538720.10
PE(18:0/18:2)
4668738.56 2559720.13 10874564.83 3834469.92 1087482.93 79891461.58 60122083.32 54434659.19 75962597.08 69016870.55
PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))
38829936.49 24738981.69 45664975.73 30483823.86 36919650.05 26348100.11 18245686.71 19850318.65 29642983.59 24377658.12
Pehanorm
3732436.55 9819680.31 17518235.45 8053451.77 4132387.87 6462435.40 5066666.53 4971048.89 5037092.84 5312326.56
Peimine
2591567.79 99164.12 - 246711.74 11381716.92 123412.27 495740.14 880179.73 347120.71 75077.25
Pentaethylene glycol
18212319.57 27491253.61 53400451.23 26505319.05 38004449.26 25991426.06 15728875.94 16135495.02 10546769.22 15862875.45
Persicachrome
5717081.55 9190793.36 8696042.49 4968671.14 6196441.23 221003.47 894959.46 915105.56 424166.13 391804.34
Phenylalanine
70788848.04 155991039.47 205280452.67 211380401.18 109180546.54 93564249.33 163774509.77 151879306.56 135889635.18 157311403.11
Phenylethylmalonamide
970093.08 2954105.45 4360260.12 3876920.97 1302483.73 17701303.23 7845615.32 5053697.39 11370728.02 13964693.52
Phe-Pro
3381732.34 1562647.72 1989934.26 1965243.07 2660614.07 259502.09 857581.29 1008907.78 532703.49 288868.66
Phosphate
237643860.25 296950431.73 300421214.22 322633203.03 316206154.78 520947.75 429346.29 597446.05 451963.76 701193.87
Phosphonic acid, P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl...
666456.84 1037192.77 1073441.95 2520521.31 1695644.22 32563.40 30858.35 34716.47 37334.51 33452.58
Phosphorylcholine
3478481088.50 3651487153.33 4657921025.33 5264524784.83 5574705027.17 2402892.68 1421982.51 1488339.62 2594835.05 2367768.63
Piericidin C1
11230764.87 8389441.31 10912010.48 11450650.50 28087103.41 38121806.65 48629006.92 53827879.31 43122638.95 73249949.91
Pipecolic acid
9240763.07 13010576.47 9183001.22 16775855.43 12676592.52 4396303.84 5747374.87 3087854.20 4523217.78 6953590.97
Piperazine-2-carboxylic acid
1906891.83 3501475.14 1231811.52 1900832.94 1401747.83 14583479.51 6871995.45 2538306.27 11445666.49 18268020.53
PODOFILOX
1353883.70 38268.55 534759.19 1045172.99 739776.80 280357.77 255614.62 237351.22 230075.93 181373.67
Polyoxyethylene_(600)_mono-_ricinoleate
412197.83 1358337.16 1074800.52 1136058.66 1269904.94 616831.54 1016670.47 660241.08 772199.53 668023.14
Pro-Leu
25288725.84 45416240.36 45947764.62 42366685.15 40725352.30 25199152.28 54630949.67 46430230.03 34374526.98 36025845.10
Proline
293327724.37 463630834.35 522302476.55 577795576.23 506634863.78 90912166.89 68865298.31 53583263.16 111681172.10 93559243.86
Prolylhydroxyproline
3857816.15 14370991.48 15525957.44 10575366.11 9160835.71 9254937.41 17455103.33 20985849.99 15190299.83 7677958.89
Prolyl-Tyrosine
4296639.66 4267421.74 4817765.34 4227121.99 8811472.94 2294742.49 1756798.71 977298.68 4467910.82 3933231.51
Propanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cycl...
7230557.57 989632.36 1466521.12 1335906.11 16501602.74 5756741.93 7198820.82 5146052.16 5435611.41 6835047.99
Propionylcarnitine (Car(3:0))
1319927394.38 771456899.13 1524688851.32 927917233.60 1830384894.97 114772895.61 97938942.42 71801149.58 163891493.64 124803862.61
Pro-Pro
42367597.02 67942756.19 73437905.13 106530729.38 66497138.01 1835238.79 5093832.88 4396186.90 6988303.45 1771347.92
Pro-Thr
11556808.81 10264253.18 11411440.97 9887980.36 5440616.75 534261.85 1021081.53 1056042.38 978328.58 475478.49
Pyridine, 2,2^,2^^,2^^^-[ethylenebis(nitrilodimethylene)]tet...
431010.16 303736.93 300008.16 126016.83 481426.84 185312.52 190621.74 101859.14 138856.74 120529.29
Pyridoxal (Vitamin B6)
5041079.39 9140533.84 10611099.96 14579738.38 6484142.85 3554448.23 1557479.92 1598063.69 2466743.30 2896108.80
Pyrrolidine
51480024.40 90404936.84 100939619.85 106802006.72 66736946.30 6429350.35 3648597.15 3514253.33 5171897.26 5572988.89
Quinidine
10799800.64 10075177.41 10046810.91 8979601.16 11788008.96 3474558.23 3103860.32 3670366.28 4148585.74 4843204.41
Reserpine
115442.00 124027.13 146170.12 237535.00 242719.68 32306.28 130642.62 473339.81 166801.74 21521.74
Riboflavin
1460802.85 3579033.90 3541640.17 4572728.67 1924560.86 1387629.37 1757595.38 1439021.06 1435794.80 1432717.32
Ricinine
61743998.22 17382744.78 21821752.93 24701059.99 19083355.85 7462748.68 2945858.64 2739485.95 3134416.56 3533906.84
Ricinoleic acid methyl ester
461085.55 931137.88 858295.75 1078567.85 876518.56 2857599.61 2791413.85 2308425.82 3589900.22 3030550.14
S-Adenosylmethionine
2054241.51 3592747.38 3621949.37 3582602.37 4429550.00 837279.86 742858.34 662046.62 520341.93 475476.83
Sarcosine
92289671.96 77141409.08 90351539.63 119340171.28 123787853.59 2230787.93 3078024.64 4413115.76 2667202.34 2258247.42
Serine
6905242.20 12901336.07 15864398.49 18776787.90 12164794.43 6866013.75 6142125.01 5995039.00 7086387.14 6924676.09
Serine-Cholic Acid
916425.54 1193447.93 3180465.70 4942812.04 2057902.68 527466.66 742024.97 728765.75 579418.49 1199433.00
Serotonin
4288205.23 17961144.38 19081487.77 12722841.33 7928800.49 8376009.47 2725002.18 1195828.39 6663710.27 6108792.14
S-Formylglutathione
29126543.22 7134736.98 11370089.01 14164132.25 35997830.68 8296718.02 6298106.63 6416754.98 7805445.74 7840691.66
SM(d16:1/24:1(15Z))
17986293.85 23741880.21 33258803.18 22671145.75 35955625.99 18747666.81 21895630.29 22114738.04 24795471.57 20702544.34
SM(d17:1/24:1(15Z))
4871193.24 5558255.30 7532726.92 5374874.77 7202217.09 92045387.58 56684564.49 47120581.62 68950899.55 109074024.61
SM(d18:0/16:0)
157297777.63 250808315.07 335827383.34 297976582.82 247524188.04 40350690.24 392360480.00 310764732.47 157503125.58 44635438.29
SM(d18:0/18:0)
12741897.58 21346911.48 33628761.40 18732117.11 22275507.40 6074755.27 40014909.91 34293053.72 17990895.53 6760714.70
SM(d18:1/17:0)
13183799.74 22920565.74 27629481.93 24402070.38 20763692.95 100369295.17 184939925.55 182506722.27 145549376.01 111232312.02
SM(d18:1/18:0)
112126351.75 190446283.83 229938117.02 168827478.45 194363414.84 33976993.74 171935112.78 189707092.52 87966237.72 40750946.09
SM(d18:1/20:0)
15459978.95 17432149.82 24945485.68 15929015.63 36823825.46 113237.72 143320.40 218366.47 120901.58 127179.49
SM(d18:1/22:0)
8716764.55 8407709.24 11515348.17 6660041.18 19424179.94 8134029.72 17707403.08 11674994.36 13607977.93 7555014.85
SM(d34:1)
1534877.67 1032956.59 2584285.59 571994.13 464792.02 185538207.38 530906160.35 841048755.93 380377845.73 236089459.68
sn-Glycerol 3-phosphate
12274742.20 4616907.74 4584045.21 3338983.40 41228615.55 1010923.51 1557560.89 1575217.55 1754504.74 871197.80
Sorbose
3686035.34 6927768.67 9780432.22 11588182.97 7126538.13 229592315.63 74278444.55 71811989.83 128494773.65 236842808.90
Sph(d18:0)
1233445.97 5349985.96 3584227.19 3015647.50 4466651.05 406456.52 531826.78 502899.78 693236.27 390395.80
Sph(d18:2)
6341657.63 8738399.42 8880144.99 8815299.22 10471501.68 2114079.01 2021906.37 1183790.46 3344448.95 2447906.93
Sphingosine
23040917.27 72270567.32 63004984.64 65229402.52 44357985.00 27009656.35 27348324.20 18940316.26 49129391.27 30843146.00
Stachydrine
4273685.30 1449377.54 1682740.27 4356147.45 4661796.04 15980103.04 5924492.98 5512145.31 8985940.99 18000238.10
Statine
101604269.41 129689757.49 165895293.60 166306867.33 191712501.87 4045291.64 3945174.42 3800956.88 4126649.46 3719043.07
Succinamide
79327961.09 68105800.84 79743865.36 98113029.87 64721512.58 5288865.18 5917308.35 5804920.54 8297394.57 5290600.56
Tandutinib
58571.53 8698963.24 1718032.11 610881.58 44141.62 1281731.85 4075180.93 2657168.89 1481850.86 1170544.55
Tanshinone I
1665613.12 90019.15 623245.66 626771.60 1642370.50 3798709.55 2444328.27 2414355.07 10650062.61 5876122.33
taspine
906813.35 543654.49 564804.46 662225.74 1950999.79 4179941.37 2374957.80 1886222.16 3174280.78 4680575.82
Taurine
591933365.33 729374892.47 782275624.95 829383498.20 820528136.18 299542336.07 579374664.60 533084075.12 466870970.52 294771984.83
Taurochenodeoxycholic acid
292564.46 2424613.48 885443.46 270633.85 436261.66 4328513.34 5881223.88 2714428.60 2078962.32 5518058.76
Taurodeoxycholic acid
773607.21 16071310.58 6876622.36 1262077.59 546579.45 4328513.34 5881223.88 2714428.60 2078962.32 5518058.76
Taurohyodeoxycholic acid
773607.21 16071310.58 6876622.36 1262077.59 546579.45 4328513.34 5881223.88 2714428.60 2078962.32 5518058.76
Telmisartan
1084712.46 509296.09 725223.33 809381.84 2229196.28 1558587.33 1899810.97 2272718.18 1818621.60 3104831.14
Terfenadine
83239.08 640502.39 656993.27 324846.06 55989.48 121322.76 768514.05 805933.80 139952.05 108506.27
Tetradecenedioylcarnitine (Car(14:1-O2))
507925.00 2051394.76 1239460.13 808078.09 721006.67 1422141.36 1568497.79 1146522.22 1532031.04 1231109.89
Tetradecenoylcarnitine (Car(14:1))
10674243.78 25250658.90 15055531.87 10600122.26 19816461.44 33223471.79 63827067.71 50273798.99 41501822.05 21601700.79
Tetradecylamine
4025178.68 2919543.44 5375263.51 3608866.21 5554161.79 93493.78 222718.38 165359.53 124040.36 203472.48
Tetraethylammonium cation
12132505.80 12107128.17 11926172.96 12711652.53 12197695.07 1770265.53 1922812.28 1956867.27 2008166.58 1765728.81
Tetraethylene glycol
49866835.89 60837174.13 102783389.20 85645771.89 80275550.82 76386244.50 70935826.95 58629133.25 61608712.76 67552387.25
Tetramethylthiourea
89134775.84 54984276.20 46991818.58 50403414.65 25320760.69 800206.59 1244410.54 553248.41 853769.38 798663.35
Thiamine
32807643.17 33613890.36 44800596.78 68285989.33 55529125.26 7026318.08 5466905.94 4646968.46 5937174.29 8041590.55
Threonine
14206244.94 17696753.08 20457967.49 31241447.69 18163791.09 18693677.52 20301471.05 18073144.63 23656439.07 20251823.24
TOPIRAMATE
1266296.57 1812087.66 1648418.40 1945026.64 2832404.94 34817439.38 27866907.64 28442370.90 34730701.64 30296335.87
Trabectedin
11977980.63 467208.86 1053764.95 1599724.97 10940014.74 14030218.49 7116342.29 7151099.21 14922982.02 13861698.21
trans-Zeatin
13004722.22 63086232.33 62924510.10 48818778.90 24643683.82 4761775.61 10455239.54 10332309.93 6695464.02 6260898.15
Trichodermamide C
3039268.93 4537851.70 4428378.62 4095692.88 1522474.43 220005.71 249452.73 249341.55 237777.58 220264.08
Tridecenoylcarnitine (Car(13:1))
1208655.98 3976424.80 2527743.14 1563709.50 1493506.36 2367758.58 1527075.39 1342420.35 1195741.81 916627.08
Trigonelline
14710266.78 15031802.58 14893252.60 18002511.66 28689106.05 149149845.53 128006903.92 96043275.11 175673064.25 222315057.02
Trimethylamine N-oxide
91344079.72 18921035.21 23395430.45 88725274.34 152839667.30 167660342.08 184715657.08 69747626.41 289130911.23 274123918.85
Triphenylphosphine oxide
2486694.54 16996995.02 10325046.21 12807645.56 3350255.37 2071302.85 1613848.84 915885.73 4049732.87 3367819.67
Tris(2,4-di-tert-butylphenyl)phosphate
16100925.36 24893479.78 20090209.22 30428490.89 38070325.93 44526096.66 45916653.63 54098507.22 43222438.36 42395982.03
Tryptophan
10360579.20 38714456.53 50010974.75 53826070.35 43160784.66 15771214.82 13774460.38 13235830.86 16347689.29 30655699.64
Tyrosine
15977442.50 52773060.10 78966597.60 69670471.72 49715740.26 2333121.41 1646584.36 1506898.96 2963982.54 2638990.76
Tyr-Val
6522090.34 3692076.38 5817360.26 4246242.32 9605288.42 1162999.27 909620.55 495645.24 2134826.87 1938350.21
Umbelliferyl arachidonate
2891525.23 6510490.81 4185192.96 5530196.69 3352214.21 194865.30 277685.09 160683.73 243862.19 452643.58
Undecenedioylcarnitine (Car(11:1-O2))
3976331.30 2488427.95 12693451.79 22864754.68 4737882.45 7792338.82 1773447.09 1402323.69 2467514.20 249968.97
Uridine
5805299.96 6818850.42 6207798.45 6086154.47 9050330.43 6696560.98 4669325.38 5547508.18 6946416.28 6761210.00
Urocanic acid
719615.02 2164934.02 1105278.12 1069193.37 627144.75 36136065.46 60554669.29 21279781.77 22701496.77 56052799.16
Valdecoxib
3006490.35 3143054.26 2126212.51 2760057.39 1953482.93 129268.74 19629317.03 141204.55 198676.69 285992.72
Valerylcarnitine
559403203.35 722212240.20 1239359493.92 765255367.73 580192716.50 56895594.20 64839664.57 41224385.62 72350724.44 60981552.55
Val-Gln
2437690.59 2893424.00 4019249.89 3788488.62 2511932.51 1143022.62 461689.28 500991.82 1099657.92 1283654.27
Val-Gly
9025611.00 6910925.86 2482981.08 8042207.63 4309201.57 790052.20 31001694.75 15786377.13 17235323.67 10845367.50
Valine
198584768.07 384972521.20 425302992.61 457584577.25 291911017.87 37425756.58 29026350.31 48213939.42 32555988.08 30474007.66
Varenicline
2654512.43 2035405.80 3207462.48 2830851.58 4193735.16 250207.99 1707659.77 1897678.30 345916.56 728577.52
Xanthurenic acid
2037096.81 3176567.09 2501388.89 2359956.72 3693628.84 2575614.34 1889147.77 1409922.22 3210649.08 5799833.07
Zolpidem phenyl-4-carboxylic acid
101449.20 84196.27 201697.00 78727.91 56550.68 1540859.11 1260676.42 1062559.81 1404942.05 2148168.07

Factors:

F1Sample source:colonic tissue | Treatment:AOM/DSS
F2Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX
F3Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics
F4Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide
F5Sample source:colonic tissue | Treatment:Control
F6Sample source:serum | Treatment:AOM/DSS
F7Sample source:serum | Treatment:AOM/DSS+FOLFOX
F8Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics
F9Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide
F10Sample source:serum | Treatment:Control
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