Data for ST002104
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
|---|---|---|---|---|---|---|---|---|
| 1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-... | 11949881.97 | 1199832.53 | - | 613063.90 | - | - | - | |
| 1,2-dioctanoyl-1,2,6-hexanetriol | 194280744.13 | 212767994.13 | 9034032.68 | 462785015.80 | 192409070.80 | 222026752.33 | 204973752.10 | |
| 1,2-dioctanoyl-1-amino-2,3-propanediol | 9106182.74 | 7611620.87 | - | - | - | - | 3239624.31 | |
| 1,6,8-trimethylallantoate | 7775711.45 | 5446106.68 | 16546474.82 | 18180413.59 | 7837163.85 | 9036462.66 | 5851678.10 | |
| 1,8-Diazacyclotetradecane-2,9-dione | 316825877.37 | 440072520.73 | 562071238.75 | 758747959.50 | 568398571.77 | 473456273.13 | 376747267.27 | |
| 1-Isothiocyanato-7-(methylsulfinyl)heptane | 9011489.66 | 5722042.81 | 16330404.86 | 18440916.86 | 9993251.28 | 11687954.49 | 6916414.08 | |
| 1-Methylhistidine | 43130066.48 | 50157875.62 | 48918465.77 | 20852157.37 | 18400083.60 | 15624362.67 | 26002552.04 | |
| 20-hydroxy-fusarin | - | - | 83382823.40 | - | - | - | - | |
| 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione | 2494670.31 | 2396277.92 | 2713610.64 | 1797484.55 | 2386331.12 | 2302420.55 | 2651577.92 | |
| 2,3-Diaminosalicylic acid | 454398.18 | 570550.55 | - | - | 524430.35 | 491250.63 | 434790.11 | |
| 2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic acid | 1147130.47 | 1555247.43 | 2430519.26 | 3453630.46 | 1362103.56 | 1409282.42 | 1276384.36 | |
| 2,5,6-Trihydroxy-5,6-dihydroquinoline | 116195.89 | - | - | - | 25417015.79 | 26481818.80 | 9996151.57 | |
| 2-Aceto-2-hydroxybutanoic acid | 2469850472.00 | 2061577556.33 | 45823567.08 | 2676372738.00 | 1634897002.67 | 1517580870.67 | 1719201607.00 | |
| 2-Amino-5-(methylthio)pentanoic acid | 2522500.87 | 2040125.24 | 1911655.09 | 1480093.07 | 913654.61 | 1090950.06 | 1393634.14 | |
| 2-Aminoheptanoate | 196882254.07 | 212374652.97 | 8536696.41 | 8540556.68 | 72365581.09 | 45105389.21 | 150481158.60 | |
| 2-Diethylaminoethanol | 7979425.72 | 4435219.41 | 2523182.97 | 5404498.77 | 1212576.41 | 2328002.30 | 4183310.15 | |
| 2-Heptenal | 458168.52 | - | 2202080.10 | 5098381.23 | - | - | - | |
| 2-hydroxysuccinamate | 4375441.82 | 4785364.42 | 83507106.70 | 169634108.65 | 8413963.04 | 15993440.63 | 8311075.24 | |
| 2-Hydroxyundecanoate | 6481291696.33 | 7205879139.33 | 215064271.05 | 11587251152.00 | 6279530950.33 | 6765127184.00 | 5438668090.00 | |
| 2-methylaminoacrylate | 7335495.12 | 2850228.40 | 8621809.89 | 19981298.87 | 6702688.62 | 11247731.48 | 9687627.48 | |
| 2-Methylbutyroylcarnitine | 317016376.13 | 430447715.03 | 5015895.25 | 4292557.05 | 161644786.23 | 101992055.79 | 213961197.17 | |
| 2-O-Methylcytosine | 16753949.09 | 15229698.93 | 566641.71 | 900749.36 | - | 486598.73 | 6828124.86 | |
| 2-oxohexa-4,5-cyclopropyl-5-enoate | 39899738.30 | 42089719.29 | - | - | 4168017.37 | 3987992.19 | 14501259.44 | |
| 3,4-Dehydrothiomorpholine-3-carboxylate | 2682854.55 | 8069659.41 | - | - | 4962633.99 | 7360789.37 | 5064086.44 | |
| 3,4-dichloro-tridecanoic acid | 7054731.07 | 550913.54 | 1154594.87 | 904327.46 | - | 550020.13 | 832443.64 | |
| 3,4-Dimethyl-5-pentyl-2-furanundecanoic acid | 7295759.83 | 5281395.58 | - | 8183190.20 | 4568358.53 | 4527825.44 | 4522441.10 | |
| 3,5-dibromocatechol | 1650726.25 | 12086097.35 | - | - | - | - | - | |
| 3-Aminobenzenesulfonate | 739512.74 | 2012321.76 | - | - | 16718644.63 | 20419034.65 | 8072561.63 | |
| 3b,12a-Dihydroxy-5a-cholanoic acid | 1038746.40 | 905609.58 | 143017436.15 | 1915875.12 | 28642291.46 | 6635715.88 | 4104630.52 | |
| 3-(Cystein-S-yl)acetaminophen | 830073.80 | 22427612.89 | - | - | 7271480.37 | 4501965.03 | 9464169.33 | |
| 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine | 6386117.66 | 7018538.40 | - | - | 1792689.06 | 612403.31 | 3564828.88 | |
| 3-hydroxypyridine | 3480477.10 | 3403582.42 | 920766.24 | 912803.81 | 906906.24 | 858378.65 | 1494993.44 | |
| 3-Indoleglycolaldehyde | 16057206.28 | 19597299.14 | 59633856.95 | 47826363.65 | 11270549.32 | 12079744.98 | 17524877.46 | |
| 3-(methylsulfanyl)acryloate | 3527169.05 | 2248481.57 | 3001236.44 | 2791723.00 | 4324238.01 | 3228536.20 | 3826293.37 | |
| 3-nitro-2-pentanol | 1516764.40 | 869877.68 | 916618.17 | 714316.42 | 836034.94 | 713910.55 | 1243624.54 | |
| 3-Oxooctadecanoic acid | 5140620.90 | 5219534.08 | 5902895.13 | 7341552.02 | 3710809.51 | 3068457.20 | 3824202.49 | |
| {4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]p... | - | - | 6751357.65 | 6122017.60 | - | - | - | |
| 4beta-Hydroxyobovatachromene | 2832565.84 | 595544.13 | - | - | - | - | 1022322.92 | |
| 4-Guanidinobutanoic acid | 29355742.71 | 27244693.90 | 19403566.00 | 20003315.93 | 78502751.47 | 36205813.59 | 45113023.38 | |
| 4-Hydroxyglutamate semialdehyde | 5972882.30 | 3647218.76 | 492627.33 | 593693.82 | 667345.77 | 745537.19 | 6327080.08 | |
| 4-Imidazolone-5-propionic acid | 1088294.88 | 1891642.56 | 784182.88 | 479675.88 | 12643750.40 | 1450068.49 | 6209047.34 | |
| 4-Nitroaniline | 2476225.27 | 2178104.46 | 3232390.95 | 2816380.68 | 1966677.94 | 1680423.83 | 1917525.07 | |
| 4-Oxoproline | 2408958623.00 | 2066004645.00 | 1755798185.50 | 1795057297.00 | 1822293268.00 | 1906121732.33 | 1442238399.00 | |
| 5,7-Dihydroxyflavone 7-benzoate | 6815040.69 | 2108287.33 | 2442242.52 | - | - | - | 2139779.61 | |
| 5-Acetamidovalerate | 2813682.15 | 4946806.24 | 765535.15 | 760664.21 | 1865628.84 | 1307485.89 | 3065386.93 | |
| (5^-(but-3-en-1-yn-1-yl)-[2,2^-bithiophen]-5-yl)methyl aceta... | - | - | 2079604.71 | 2282222.65 | - | - | - | |
| 5-guanidino-3-methyl-2-oxo-pentanoate | 20735551.19 | 5484830.19 | 2607091.81 | 4392878.16 | - | - | 1205229.87 | |
| 5-Methylcytosine | 808419.83 | 698124.89 | 1664582.14 | 2088874.95 | - | - | 973432.29 | |
| 5^-Methylthioadenosine | 32025733.84 | 43593257.71 | - | - | 641202317.97 | 626682282.17 | 196804442.40 | |
| 6,11-dihydroxy-3-(hydroxymethyl)-7-(3,4,5-trihydroxyphenyl)-... | 39575044.26 | 19453185.46 | 12951555.88 | 17910000.92 | 9349013.94 | 11535820.39 | 20238326.21 | |
| 6,9,12,15,18,21-Tetracosahexaynoic acid | 1032494.27 | 1857541.81 | 1756805.13 | 1964954.38 | 1619851.79 | 1721947.28 | 1389149.72 | |
| 7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone | 2984879.68 | 3068993.03 | 12726171.29 | 12302297.79 | 15603084.08 | 14461226.87 | 5829541.49 | |
| 8-Oxocoformycin | 4332556.01 | 4427576.09 | 3465459.87 | 3768198.53 | 3503823.32 | 3369207.33 | 3000429.31 | |
| 9^-Carboxy-alpha-chromanol | 117770358.97 | 137142307.03 | 78925991.11 | 70801170.75 | 189923448.23 | 138729926.53 | 122041202.70 | |
| Acetylcarnitine | 180095123.20 | 253576834.33 | 15812742.70 | 17847674.89 | 447636242.90 | 200000621.10 | 241516884.13 | |
| Acetylcarnosine | 799351.72 | - | 7890175.78 | 9399954.01 | 1263574.70 | 1562261.96 | 716891.96 | |
| Adenine | 9406089.19 | 7488325.49 | 958263.09 | 1183527.76 | 6174429.39 | 4180269.23 | 4820947.87 | |
| Adenosine | 5848679.12 | 4373366.14 | 1719486.16 | - | 8441302.08 | 4979458.72 | 7770375.31 | |
| Adenosine triphosphate | 602228.08 | 840845.82 | - | - | 1906972.25 | 2523411.93 | 2271064.09 | |
| Adrenochrome o-semiquinone | 651181204.27 | 265347667.00 | 304360459.85 | 403578579.35 | 198940973.83 | 219584129.93 | 555016878.50 | |
| Ala/Asn/Ser | 1011144.16 | 593230.19 | 1205080.78 | 846228.81 | 527303.37 | 769277.56 | 696163.73 | |
| Ala/Asp/Asp/Asp/Glu | - | - | - | - | - | - | - | |
| Ala/Cys/Ser/Thr/Thr | - | - | - | - | - | - | - | |
| Ala/Glu/Glu/His/Arg | 1660707.09 | 1281310.47 | - | - | - | - | 457979.76 | |
| Ala/Met/Pro/Tyr | 11414451.94 | 7583948.49 | 11618957.73 | 8225572.00 | 5380521.41 | 7228077.38 | 5332873.11 | |
| Alanine | 39151083.17 | 19922205.54 | 27791768.18 | 41318674.42 | 95069880.27 | 33860533.02 | 61685870.76 | |
| Alanyl-Serine | 873558.33 | 728501.47 | 3825229.56 | 4393613.30 | 1783368.49 | 2366032.52 | 1261073.33 | |
| Ala/Phe/Lys/Arg/Arg | 625395.04 | 1010357.63 | - | - | 1374847.63 | - | 1140993.07 | |
| Ala/Thr/Ser/Tyr | 9283755.54 | 1583856.76 | - | - | - | - | - | |
| Allysine | 19280155.90 | 22144363.98 | 21963523.56 | 23596267.57 | 18021840.78 | 18302135.36 | 16316105.17 | |
| Aminoadipic acid | 4215359.28 | 3508695.94 | 1207453.05 | 1784390.50 | 516840.03 | 1031520.47 | 17158051.91 | |
| aminocaproamide | 849186.22 | 1019765.23 | 3432700.58 | 214803.76 | - | - | 25493595.57 | |
| Arbutin | 21419303.00 | 16891493.71 | 23319747.46 | 29986757.48 | 15320680.41 | 19020471.18 | 14708659.03 | |
| Arginine | 424046946.77 | 355422806.00 | 895323948.70 | 952851650.00 | 521933305.67 | 586147155.33 | 379653806.47 | |
| Arg-OEt | 62572003.33 | 60550063.43 | 22119525.64 | 26277094.11 | 36406477.77 | 26773484.33 | 39361842.25 | |
| Arg/Thr/Pro/Pro | 2312451.89 | 713024.91 | - | - | - | - | - | |
| Aspartyl-L-proline | 1350771.43 | 548500.37 | - | - | - | - | - | |
| Asp/Gly/His/Pro/Trp | - | - | - | 6756026.08 | - | - | - | |
| Asp/Thr/Asp/His | - | - | 3536056.43 | 4179964.05 | - | - | - | |
| ATPA | 2037314.44 | 2682530.69 | 494865.24 | 615962.17 | 703135.69 | 688834.34 | 1182712.08 | |
| benzenamine sulfate | 2556134.39 | 4051119.20 | - | - | 3103441.14 | 2334468.71 | 2815473.37 | |
| benzodiazepinedione | 14419670.75 | 860780.50 | 1692883.68 | 2147890.72 | - | - | 667807.61 | |
| Betaine | 773486216.47 | 1047494793.23 | 848775906.30 | 848680933.20 | 1272724579.67 | 1031276972.70 | 1000523748.87 | |
| biolumazine | 3637524.82 | 4897454.86 | - | - | - | - | 2443356.24 | |
| Bis-D-fructose 2^,1:2,1^-dianhydride | - | - | - | - | - | - | 3585000.21 | |
| Butyrylcarnitine | 1656931461.67 | 2264719321.00 | 12663380.43 | 13121241.61 | 74215224.72 | 127148416.83 | 991865980.27 | |
| CAPS | 42567581.50 | 63167393.13 | 105924983.60 | 88300143.94 | 110748060.50 | 103191136.46 | 63485257.29 | |
| Carnitine | 1022935685.23 | 759085594.87 | 154190611.15 | 141151563.35 | 494015223.70 | 400338993.63 | 663443472.50 | |
| Carnosine | 885097.70 | 914115.38 | 4089672.93 | 7723692.89 | 2398513.28 | 2293977.47 | 2225295.03 | |
| CHAPS | 4940410.24 | 8117865.01 | 14461265.06 | 8159655.20 | 17300033.70 | 16101784.62 | 7903858.66 | |
| Chloropyramine | 12335215.48 | 11640983.29 | - | - | 8712131.43 | 12512087.69 | 9436259.07 | |
| Citrulline | 16800343.37 | 4689615.47 | 45236664.53 | 108271941.20 | 7034310.82 | 8587299.55 | 3140773.32 | |
| Creatine | 1764917864.00 | 553644943.43 | 1235490307.00 | 426154820.40 | 5684360978.67 | 5970429838.33 | 3250815180.33 | |
| Creatinine | 1452539153.33 | 1409838208.67 | 1309368858.00 | 1512621775.00 | 917133575.97 | 981173278.87 | 956044174.70 | |
| Cys/Asp/Glu/Pro/Thr | 2389671.70 | 727440.05 | - | - | - | - | - | |
| Cys/Met/Phe/His | 28206136.09 | 1131129.00 | - | - | 13617494.33 | 10496024.26 | 14938337.12 | |
| Cystathionine | 4633620.99 | 8790026.87 | 386689.63 | 449400.22 | 479554.71 | 338628.53 | 6851722.34 | |
| Cysteine-S-sulfate | - | - | 2091705.43 | 9060724.09 | - | - | - | |
| Cystine | - | - | 59277537.65 | 79866758.78 | - | - | - | |
| Cytidine | 993592.38 | 597587.84 | 24880570.15 | 20202323.92 | 4799449.89 | 1223599.71 | 1313815.95 | |
| Cytosine | 712910.72 | 856067.46 | 9161506.36 | 7520675.87 | 1850437.67 | 707198.62 | 699008.89 | |
| deacetylcolchicine | - | - | 1970406.08 | 4233024.76 | - | - | 475756.96 | |
| Dehydrophytosphingosine | 1494478.46 | 2051843.82 | 3058916.00 | 5925269.76 | 2263423.10 | 2356238.91 | 2044181.15 | |
| Desmosflavone | - | - | - | - | - | - | - | |
| Dihydrothymine | 106822343.00 | 24396208.67 | 114987687.57 | 140939079.25 | 188979794.57 | 159829670.93 | 141978047.97 | |
| Dihydrozeatin riboside monophosphate | 306494214.20 | 282425551.77 | - | - | 17720339.08 | 21937463.58 | 55454927.04 | |
| Dimethylglycine | 20785562.78 | 14356860.95 | 28334828.38 | 22067865.20 | 18279928.89 | 18862798.60 | 17004803.01 | |
| DL-2-Aminooctanoic acid | 66471223.03 | 65967656.58 | 5038974.91 | 4385206.92 | 21967972.99 | 14741640.43 | 41663477.77 | |
| dodecyltrimethylammonium | 5733108.21 | 4529364.28 | 286868581.50 | 5229119.92 | 29383492.77 | 16713750.74 | 13934243.35 | |
| Dopamine quinone | 10971065.55 | 7380982.64 | - | - | - | - | 2197492.50 | |
| Duloxetine | 266589.69 | 269140.05 | 1861814.18 | 6104756.15 | 497800.35 | 664661.29 | 350482.97 | |
| eicoseneoylcarnitine | 33378811.43 | 29626483.32 | - | - | - | - | 13438829.66 | |
| Ergothioneine | 6240532.01 | 1517398.67 | - | - | 273201.74 | - | 5217123.60 | |
| erucamide | 32262242.70 | 78325248.40 | 158109525.75 | 197183495.30 | 62119451.51 | 112463086.75 | 56848424.68 | |
| FA (13:2) tridecadienoic acid | 5306136.16 | 3692176.73 | 19433845.85 | 11105918.90 | 2632370.51 | 4452720.58 | 3093383.77 | |
| Fasoracetam | 3631580.67 | 2973989.10 | 3152165.03 | 3597341.14 | 2465363.54 | 1694655.72 | 2350224.06 | |
| Folic acid | 3284468.87 | 1918428.50 | 1310866.85 | 1726656.28 | 560374.82 | 821635.54 | 2313281.88 | |
| formylaminopyrimidine | 251903273.93 | 268075103.33 | 299145550.00 | 353396301.00 | 184310378.40 | 214333826.40 | 188161094.53 | |
| Fructosamine | 6138914.65 | 1833766.48 | 36844668.60 | 37951196.52 | 16144405.77 | 25905423.82 | 11146842.61 | |
| Fulvinervin B | - | - | 2628710.96 | - | - | - | 83951791.87 | |
| furaneol glucopyranoside | 1897451.22 | 239526.22 | - | - | - | - | - | |
| Gallagic acid | 2899932.59 | 1972032.32 | - | - | - | - | - | |
| GDP-3,6-dideoxy-D-galactose | 5157804.45 | 1097005.01 | - | - | 967735.99 | 1102573.65 | 1921358.66 | |
| Glucose | 18591084.61 | 19432667.26 | 48049667.42 | 28617086.16 | 66637889.84 | 70238231.50 | 40036042.83 | |
| Glu/Ile/Pro/Pro/Tyr | 2815201.14 | 3748004.32 | 8518402.46 | 7785675.64 | 3672694.14 | 5109393.65 | 3172153.45 | |
| Glu/Met/Met/Tyr | - | - | - | - | - | - | - | |
| Glu/Met/Phe | - | - | - | - | - | - | 2694719.70 | |
| Glu/Ser/Val | 2545144.20 | 527047.04 | - | 459692.26 | - | - | - | |
| Glutamine | 678941446.00 | 229798925.37 | 2574741706.00 | 3543398704.50 | 38394159.40 | 541720035.10 | 1003109968.30 | |
| glutamyl-L-alaninol | 1736981.57 | 620785.14 | 3731093.21 | 3846153.34 | 893528.31 | 1637352.34 | 1768716.20 | |
| Glutarylcarnitine | 12738715.05 | 11424491.55 | 817694.46 | 1021265.16 | 619196.19 | 500858.72 | 5751558.59 | |
| Glutarylglycine | - | 574927.51 | 15502348.08 | 10708971.68 | 20310139.59 | 19600555.89 | 4097973.82 | |
| Glutathione | 18961528.36 | 33363605.07 | 5184504.51 | 1275648.42 | 8185779.37 | 8595353.96 | 14336702.26 | |
| Glycerophosphocholine | 1952001326.00 | 454613648.10 | 63989001.47 | 96421184.97 | 2568530484.33 | 1934914622.33 | 2316406568.33 | |
| Glycerophosphoglycerol | 4619442.15 | 3821815.69 | 163426.40 | 177499.90 | 5148381.26 | 3996509.29 | 5854335.78 | |
| Guanidoacetic acid | 72120311.59 | 40079054.80 | 6711501.60 | 12930162.35 | 3937754.06 | 4008293.02 | 15338362.82 | |
| Heptaethylene glycol | 2273950.03 | 2564703.12 | 32168604.39 | 5996006.03 | 3601392.52 | 2542394.77 | 2925648.83 | |
| HETE di-endoperoxide | 6089241.39 | 10827845.40 | 5011349.18 | 9260849.10 | 6862621.28 | 6617251.60 | 6005988.42 | |
| Hippuric acid | 132041837.10 | 122705093.63 | 116097196.45 | 114877914.05 | 90377811.53 | 107530261.47 | 87845087.18 | |
| Histidine | 103739119.80 | 34254717.72 | 191379005.23 | 161413844.70 | 38450083.76 | 19289172.33 | 82384999.05 | |
| Homo-L-arginine | 6123558.89 | 4699136.64 | 3490257.34 | 4147916.31 | 2388786.60 | 2647695.84 | 2893701.30 | |
| hydrogen acetylphosphonate | 7134977.10 | 1839051.82 | - | 477138.07 | 10301953.85 | 7816707.96 | 9702614.32 | |
| Hydroxybutyrylcarnitine | 3185996.31 | 5075172.67 | - | - | 3498808.88 | 2724139.70 | 3080255.65 | |
| hydroxy-N-acetyl-(L)-arginine | 3875292.04 | 3505004.20 | 64829054.90 | 38567069.31 | 31520664.62 | 41498625.34 | 11982913.31 | |
| Hypoxanthine | 512838.72 | 777752.19 | 57602841.23 | 46127745.25 | 1008772.49 | - | - | |
| Ile/Lys/Pro | 688236.48 | 835975.80 | 219321.78 | - | 1675519.36 | 1049719.56 | 910812.28 | |
| Ile/Thr/Ser/Ser | 17754167.09 | 3110096.03 | 1023779.29 | 1213517.24 | - | - | 845256.05 | |
| Imidazoleacetic acid | 7183500.62 | 7085105.38 | 1872695.30 | 1470649.22 | 3148901.72 | 1765827.49 | 4115530.21 | |
| Imidazoleacetic acid riboside | 8861069.73 | 4426487.16 | 1686018.01 | 2192291.51 | 1707962.55 | 1834528.63 | 7554730.70 | |
| Indoleacetaldehyde | 26957583.08 | 16311175.60 | - | - | 9548826.20 | 12114970.57 | 9286303.53 | |
| Indolelactic acid | 4523006.89 | 3371534.00 | 2853736.22 | 3000852.68 | 2429890.19 | 1960231.85 | 3696224.05 | |
| Indoxyl | 19580314.21 | 16043100.36 | 9771595.24 | 11634709.21 | 3837189.63 | 4269475.95 | 10548713.62 | |
| Isoleucylproline | 6278263.81 | 6003121.55 | 5381347.27 | 5163621.18 | 5078780.72 | 4244458.37 | 4589261.92 | |
| Isoputreanine | 1919455.01 | 1415249.63 | 2627204.10 | 4272022.10 | 1128787.21 | 1445856.19 | 1121985.02 | |
| Lenticin | 672061.25 | 764551.30 | - | - | - | - | 471882.72 | |
| Leucine | 2438238321.67 | 2478320769.00 | 1805344224.50 | 1973526492.00 | 1371720932.67 | 1271031936.00 | 1661721492.00 | |
| Linoelaidyl carnitine | 17816665.95 | 18556618.66 | - | - | - | - | 8516005.47 | |
| Lysine | 437229651.17 | 350365342.00 | 133892482.05 | 163220834.20 | 22812445.77 | 47087278.81 | 178824451.87 | |
| LysoPC(18:1) | 11450443.70 | 7989501.88 | 42112513.02 | 51006477.16 | 9759407.67 | 6753879.40 | 7505257.23 | |
| Lysyl-Valine | 40823150.04 | 49158925.79 | 1724072.98 | 1901238.90 | 22837714.48 | 6877576.51 | 27368739.27 | |
| malyl alpha-D-glucosaminide | 3201279.21 | 323949.31 | 810778.11 | 329498.30 | - | - | - | |
| Mannitol | 33018695.87 | 25564767.44 | 38388904.67 | 62691275.54 | 30740391.96 | 43908682.52 | 27677706.08 | |
| Maximaisoflavone B | - | - | 1263533.00 | - | - | - | 12007578.61 | |
| Met/Cys/Pro | 12743411.00 | 10772450.79 | 1514154.48 | 1767030.01 | - | - | 578647.33 | |
| Methionine | 1467473941.00 | 1102436503.67 | 971749458.10 | 1009654164.30 | 421025135.10 | 477778346.33 | 906983293.83 | |
| Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate | 124087817.63 | 117463708.03 | 84612224.72 | 92806152.34 | 54464570.06 | 62419065.85 | 70028341.72 | |
| Methyl cinnamate | 1338943.75 | 1401437.09 | 1630993.12 | 1016640.09 | 1506434.30 | 1425334.50 | 1519626.71 | |
| Methylimidazoleacetic acid | 12406378.42 | 7916534.44 | 12842086.15 | 11350031.17 | 9424668.15 | 10749199.12 | 7307750.99 | |
| metoprine | 5223245.41 | 4998633.05 | 4581061.22 | 5461681.73 | 3443580.13 | 4110917.68 | 4371022.34 | |
| Met/Phe/Gly | 3134905.99 | 716318.92 | 870383.20 | 883637.85 | - | - | 1255970.87 | |
| Montalicin A | 3546708.23 | 2137284.14 | - | 2425973.23 | 1691813.57 | 1461419.66 | 2050912.05 | |
| Muramic acid | 20235034.29 | 861384.99 | 1000198.02 | 1530966.68 | - | - | 710647.32 | |
| N-(1-Deoxy-1-fructosyl)phenylalanine | 247450924.43 | 36031080.65 | 5605659.21 | 6547652.38 | 1104635.97 | 1726512.36 | 7796585.94 | |
| N-(1-Deoxy-1-fructosyl)tyrosine | 16125983.61 | 1211191.74 | 1643853.84 | 1853435.06 | - | 677778.24 | 957802.28 | |
| N-(1-Deoxy-1-fructosyl)valine | 71388768.45 | 17763345.77 | 3337091.40 | 2690303.74 | 1842671.68 | 2313645.21 | 6204182.91 | |
| N1,N8-Diacetylspermidine | - | - | - | - | 47942228.24 | 31943059.62 | 14688682.12 | |
| N2-Fructopyranosylarginine | 333212428.33 | 44426760.04 | 147520021.70 | 219350026.35 | 1720231.30 | 3796662.59 | 7688317.42 | |
| N2-gamma-Glutamylglutamine | - | - | 7442937.11 | 15364398.46 | - | 617587.54 | 232775.53 | |
| N-(2-hydroxypentadecanoyl)-phytosphingosine | 962274.61 | 2194533.12 | 7891128.47 | 6819735.00 | 2360584.15 | 3129926.99 | 1433359.18 | |
| N-(2-hydroxytridecanoyl)-4,8-sphingadienine | 3931580.54 | 2022519.66 | - | - | - | - | 1183361.99 | |
| N-(2-hydroxyundecanoyl)-4,8-sphingadienine | 5499754.21 | 3416182.75 | - | - | - | - | 2110768.32 | |
| N2,N2-Dimethylguanosine | 2940460.35 | 3037691.95 | 849149.00 | 857632.66 | 2464890.97 | 1429681.19 | 2109243.35 | |
| N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprol... | - | - | 1050457.26 | 3560327.57 | - | - | - | |
| N6-Acetyl-L-lysine | 3553763.03 | 2926407.47 | 4562322.33 | 4809519.49 | 15278850.59 | 9749868.21 | 7835326.30 | |
| N6-Acetyl-N6-hydroxy-L-lysine | 2870507.09 | 2600377.84 | 4539799.68 | 3113454.21 | 1242959.76 | 1960776.73 | 1634851.34 | |
| N(6)-Methyllysine | 13088231.91 | 13251830.86 | 4310937.06 | 5704896.24 | 3970162.84 | 3992756.96 | 5951771.10 | |
| N6,N6,N6-Trimethyl-L-lysine | 49586571.94 | 41902457.44 | 28760588.07 | 31108161.14 | 24942408.38 | 20050907.77 | 27745237.81 | |
| N-a-Acetyl-L-arginine | 1552409.39 | 481383.46 | 1587823.23 | 1929451.00 | 1371070.95 | 1203324.00 | 1470570.81 | |
| N-acetyl-9-O-acetylneuraminate | 2428283.27 | 1808290.53 | - | - | - | - | 1104533.89 | |
| N-Acetylaspartylglutamic acid | 59584191.08 | 33689841.26 | - | - | 3447084.36 | 2410186.87 | 59500351.20 | |
| N-Acetyl-D-glucosaminate | 2449896.46 | - | 1553777.75 | 1959939.91 | - | - | - | |
| N-acetyl -D- glucosaminitol | 3813152.49 | 2582364.17 | 948421.82 | 723078.31 | 748402.42 | 635962.61 | 3673785.77 | |
| N-Acetyldjenkolic acid | - | - | 1577208.82 | 1706677.21 | - | - | - | |
| N-Acetylglutamic acid | 9092568.30 | 4459122.65 | - | - | 2248354.37 | 1810449.98 | 9015256.49 | |
| N-acetyl-L-2-aminoadipate(2-) | 15816801.22 | 10216455.85 | 4037824.11 | 3600812.07 | 4788741.26 | 4953656.25 | 12314625.66 | |
| N-Acetyl-L-aspartic acid | 124534222.77 | 47051771.48 | 700724.01 | 701961.12 | 27098053.29 | 82476635.63 | 153698691.60 | |
| N-Acetyl-L-glutamate 5-semialdehyde | 1389471.97 | 4793789.47 | 21078478.89 | 7821513.52 | 42892550.85 | 42017788.18 | 12040566.49 | |
| N-Acetylneuraminate | 45946506.15 | 2196870.51 | 3506411.97 | 7839239.35 | - | - | - | |
| N-Acetylneuraminic acid | 23201900.84 | 11958192.09 | 2042082.19 | 3732327.08 | 4966102.50 | 6579225.14 | 17604720.13 | |
| N-Acetylvanilalanine | 3242901.19 | 4860188.02 | - | - | 2593926.02 | 928184.42 | 2883608.84 | |
| NAD | 10954601.62 | 5959028.03 | - | - | 51002114.65 | 60515927.31 | 37080402.78 | |
| Nalpha-Methylhistidine | 34810675.79 | 36778294.11 | 57756899.41 | 59401617.61 | 53887408.00 | 43992111.68 | 56574031.35 | |
| N-Desmethylaminopyrine | 13295598.87 | 11661453.58 | 27707746.98 | 25070169.37 | 33187476.12 | 32226091.41 | 21259747.43 | |
| Ne,Ne dimethyllysine | 26104349.41 | 16396342.26 | 7425194.93 | 9628148.99 | 6628730.44 | 6460355.51 | 8613619.38 | |
| N-hydroxyisoleucine | 53337577.45 | 25159117.79 | 35713462.73 | 29806474.35 | 38007399.85 | 30105474.89 | 44566130.45 | |
| N-hydroxy-L-pipecolate | 7776340.31 | 2875534.01 | 18044142.78 | 19270834.47 | 11537924.60 | 13669582.22 | 11533834.79 | |
| N-hydroxyvaline | 425086.22 | - | 6551675.35 | - | - | - | - | |
| N-lactoyl-Tryptophan | 3834353.87 | 6507949.60 | 1268512.51 | 1774721.33 | 1428602.66 | - | 3219982.87 | |
| N,N-dihydroxyhomomethionine | - | - | 25309185.18 | 4413326.70 | 4076620.43 | 1724067.18 | 787746.48 | |
| norcisapride | 2460551.94 | 1908460.85 | 825664.36 | 787716.08 | 655368.66 | 771487.25 | 830753.52 | |
| O-Acetylserine | 43122426.53 | 35773076.68 | 1979965.93 | 1799530.20 | 54655949.51 | 37217370.23 | 46347640.46 | |
| Octadecyl fumarate | 23899224.33 | 15854435.57 | - | 32347860.14 | 14441691.08 | 16328005.78 | 15196177.16 | |
| Octaethylene glycol | 2067278.58 | 1889304.12 | 26991411.27 | 4474916.58 | 2583189.96 | 2038815.90 | 2170547.48 | |
| Oleoylcarnitine | 245172050.87 | 228217623.93 | - | - | 928693.87 | - | 100621540.46 | |
| O-Phosphoethanolamine | - | - | - | - | - | - | - | |
| Ornithine | 43118978.35 | 38855310.75 | 140788842.25 | 165245700.00 | 81470018.75 | 96729388.72 | 52756508.04 | |
| Oxidized glutathione | 28096014.90 | 17456798.38 | - | - | 11461125.63 | 17996593.52 | 20016217.45 | |
| Oxomemazine | 2649744.84 | 237910.38 | 627600.77 | - | - | - | - | |
| PA(35:6) | - | - | - | - | 1528527.03 | - | 1100481.63 | |
| Palmitoylcarnitine | 161789961.23 | 133091805.20 | - | - | - | - | 62587491.55 | |
| Pantothenic acid | 713733142.73 | 673909122.43 | 158917647.60 | 167229354.35 | 275135743.93 | 270914264.63 | 403159432.73 | |
| PC(12:0/20:1) | 117073350.13 | 83963506.89 | 38414495.21 | 2306549.68 | 103929827.75 | 65768125.31 | 77259314.95 | |
| PC(14:0/20:2) | 109151851.83 | 96163507.62 | 2326856.20 | 3007826.79 | 131515096.17 | 84392280.29 | 84350790.95 | |
| PC(14:0/22:4) | 20491658.18 | 15295630.44 | 2153764.90 | 2394870.87 | 7153725.73 | 7111207.09 | 12265583.64 | |
| PC(14:1/22:2) | 39773366.77 | 35168188.01 | 2281112.56 | 2410078.34 | 31021674.41 | 18532652.78 | 26527666.16 | |
| PC(16:0/22:4) | 17113611.57 | 14366237.58 | 3837275.63 | 5644956.53 | 6836564.26 | 4976737.51 | 11545950.93 | |
| PC(16:0/22:5) | 21213708.38 | 15335245.48 | 2951574.91 | 2931288.16 | 8259734.78 | 5621068.21 | 13197468.34 | |
| PC(16:0/22:6) | 13522368.02 | 8142267.03 | 1950673.78 | 2310402.85 | 4028478.24 | 3540324.76 | 7609402.52 | |
| PC(18:1/18:1) | 84801410.19 | 65662065.33 | 4646076.98 | 5489858.83 | 223625299.53 | 99092581.21 | 96970925.78 | |
| PC(18:1/22:6) | 8824878.73 | 5640816.69 | - | - | 4996311.91 | 2978803.75 | 5951808.15 | |
| PC(MonoMe(11,3)/MonoMe(11,3)) | 7371916.42 | 4010124.40 | - | - | 9285379.00 | 4724731.49 | 5441780.79 | |
| PE(15:0/20:2) | 42122104.23 | 39012370.51 | - | - | 16209434.74 | 14820265.44 | 24410361.46 | |
| PE(16:0/16:0(9Cp)) | 26728102.80 | 24044517.62 | - | - | 14287198.56 | 13510540.75 | 16719383.01 | |
| Penicilloic acid | 453053314.93 | 340430567.83 | 579275864.25 | 581410372.90 | 326705063.53 | 427890423.10 | 297524796.17 | |
| Pentadecanoylcarnitine | 17159404.66 | 11129199.59 | 1449503.40 | 18334458.41 | 9052915.46 | 9352025.18 | 10474870.21 | |
| Phenolsulfonphthalein | 1108699072.40 | 512689806.90 | 379655426.35 | 484346133.65 | 259628031.10 | 321021444.30 | 560665420.93 | |
| Phenylacetylglycine | 57302509.17 | 74161175.81 | 87832736.00 | 54452319.94 | 111710862.53 | 86314992.15 | 63584995.29 | |
| Phenylalanine | 2683120501.33 | 2994307828.33 | 971116663.45 | 1247535088.00 | 368025266.63 | 447581517.20 | 1717093879.33 | |
| phenyl sulfoxide | - | - | 52005961.55 | 41625371.84 | 76464857.28 | 78617190.92 | 36573586.54 | |
| Phe/Phe/Ile/Met/Pro | - | - | 10593998.30 | - | - | - | - | |
| Phlorin | 12532849.27 | 5026262.07 | - | - | - | - | 2430125.49 | |
| Phosphorylcholine | 1168412211.23 | 228381055.47 | 15381257.77 | 2858244.73 | 205719865.97 | 3667972498.33 | 1903028363.67 | |
| Picolinamide | 764782768.27 | 1063764018.30 | 1087171817.50 | 991064754.90 | 342867507.70 | 520138524.90 | 707610439.73 | |
| Pipecolic acid | 40338535.61 | 21463119.15 | 6324170.97 | 8040486.69 | 8972767.12 | 6509175.88 | 61119447.14 | |
| Piperidine | 148024933.10 | 135050588.57 | 100829805.67 | 107005923.05 | 70450447.20 | 69127385.73 | 83261032.17 | |
| Proline | 1985713373.00 | 1562913949.00 | 3384203290.00 | 3492192569.00 | 4722124638.67 | 4103078710.67 | 3046036695.33 | |
| Propionylcarnitine | 95715019.58 | 91440102.11 | 10749910.35 | 11348182.21 | 58743264.84 | 31574264.28 | 98423092.21 | |
| PS(16:0/18:0) | 2099352.96 | 2070097.82 | - | - | 5616059.75 | 2103899.46 | 2436555.24 | |
| PS(18:0/18:0) | 2520435.43 | 4107753.01 | - | - | 16673445.77 | 4142672.77 | 4736588.45 | |
| PS(18:0/18:2) | 2616815.18 | 4017433.67 | - | - | 8764166.30 | 3712434.82 | 3635190.17 | |
| PS(20:1/22:6) | 2466956.86 | 1730655.02 | - | - | - | - | 965171.63 | |
| PS(22:5/22:5) | 5552752.17 | 1508773.51 | - | - | 1445855.75 | 1671132.56 | 2507293.09 | |
| PS(39:4) | - | - | - | - | - | - | 1520324.38 | |
| PS(41:6) | - | - | - | - | - | - | 1075716.28 | |
| Pseudouridine | 5004485.20 | 2895823.17 | 5453282.68 | 7141050.60 | 5950290.27 | 6369933.22 | 5396292.94 | |
| psicoselysine | 34540072.85 | 3241335.38 | 1895341.61 | 2755921.79 | - | - | 335859.30 | |
| Pyridoxal | 16727283.61 | 29590199.65 | 724878.29 | 627416.23 | 16671358.88 | 16992325.78 | 26021615.52 | |
| Pyridoxine | 1845616999.67 | 1395248655.33 | 581905591.80 | 743849369.15 | 205731788.13 | 276531526.30 | 837823966.57 | |
| Pyrogallol-2-O-glucuronide | 1285911.66 | 3466162.26 | - | - | 2729923.26 | - | 2395347.57 | |
| Secologanate | 2683293.65 | 628972.47 | - | - | - | - | - | |
| Serine | 35528075.80 | 9137519.06 | 56447318.67 | 118027650.30 | - | 623248.91 | 2496686.26 | |
| Slaframine | 5414889.28 | 7481199.53 | 2038019.60 | 2017694.77 | 4612498.80 | 3280289.37 | 5742852.07 | |
| sn-glycero-3-Phosphoethanolamine | 972724.44 | 845673.32 | - | - | 3142761.37 | 2269184.34 | 2037168.32 | |
| Sorbitol | 57856646.45 | 31428211.31 | 128275760.35 | 202271705.90 | 55747593.23 | 81345230.66 | 56841467.59 | |
| stipitatonate | 10770640.44 | 5849254.43 | 5889341.05 | 2179428.60 | 4468860.39 | 5473156.09 | 4784696.01 | |
| sulfonic acid | - | - | 6815408.71 | - | 1737090.14 | 1115148.06 | - | |
| Targinine | 3559159.17 | 3340381.80 | 759948.87 | 927333.10 | 1370574.13 | 1215031.01 | 1975841.57 | |
| Taurine | 58721844.40 | 61523504.84 | 2184789.76 | 2978723.20 | 21328561.22 | 18188652.47 | 29867567.48 | |
| tembetarine | 952792.32 | 788711.84 | 3629967.50 | 4265844.67 | 1676572.57 | 2546379.95 | 1116758.84 | |
| Tetracosahexaenoic acid | - | - | 28231705.36 | - | 5868454.12 | 1512200.03 | 1071260.71 | |
| Theanine | 19907281.90 | 4720798.79 | 24290287.86 | 31268567.49 | 34087130.67 | 31212556.76 | 28488810.14 | |
| Thiomorpholine 3-carboxylate | - | - | 45774456.68 | 360721240.30 | - | - | - | |
| Threonine | 104951625.41 | 36485788.53 | 161312312.40 | 296677487.15 | 21569432.39 | 34002651.89 | 127990150.07 | |
| Tiglylcarnitine | 787284.40 | 940429.14 | 619908.48 | 741181.39 | 7778133.02 | 3857393.27 | 2645915.12 | |
| tirandamycin E | - | - | 5915273.59 | - | - | - | - | |
| trans-2-Tetradecenoylcarnitine | 8616421.86 | 6731361.98 | - | 609064.74 | - | - | 3294758.98 | |
| trans-Hexadec-2-enoyl carnitine | 45351483.73 | 39113161.79 | - | - | - | - | 17584592.07 | |
| Triethanolamine | 1825462.90 | 1597766.30 | 2369967.01 | 2188909.75 | 1770661.10 | 1531909.70 | 1535257.07 | |
| triethylene glycol | 3514481.58 | 4087472.60 | 3924975.16 | 2976492.15 | 8152076.61 | 7335701.80 | 2333841.02 | |
| Tryptophan | 530119783.53 | 232279648.23 | 114923875.50 | 156373495.20 | 31954544.10 | 49434330.22 | 233297511.20 | |
| Uracil | 9332189.79 | 9319524.90 | 3703266.16 | 4138075.10 | 1136115.30 | 1761245.20 | 4559858.52 | |
| Uridine diphosphate glucose | 8183806.23 | 5876286.53 | - | - | 3422233.27 | 4403239.01 | 5986764.20 | |
| Uridine diphosphate glucuronic acid | 8200683.47 | 7361476.12 | - | - | 1095507.78 | 1561880.21 | 3735305.17 | |
| Uridine triphosphate | 428002.92 | 664819.51 | - | - | 372557.38 | 331426.25 | 436217.92 | |
| Valine | 1619961900.67 | 1160759737.67 | 843172073.05 | 962155935.85 | 348693071.10 | 426507448.77 | 1254266957.00 | |
| Xanthoplanine | - | - | - | - | - | - | 4372195.79 |
Factors:
| F1 | conditions:CaOV3 cell line |
| F2 | conditions:CaOV3 cell line CBPR mutation |
| F3 | conditions:culture media for CaOV3 |
| F4 | conditions:culture media for OVCAR5 |
| F5 | conditions:OVCAR5_cell line |
| F6 | conditions:OVCAR5 cell line CBPR mutation |
| F7 | conditions:pooled QC |
