Data for ST000549
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 10-Oxabenzo[def]chrysen-9-one | 4676.00 | 11136.67 | 8023.25 | 7298.50 | 2071.20 | 3335.00 | 1296.17 | 7200.33 | |
| 10-Oxabenzo[def]chrysen-9-one - 1.5784571 | 10120.00 | 1.00 | 1.00 | 1177.00 | 992.00 | 4014.60 | 1.00 | 2442.33 | |
| (10S)-Juvenile hormone III diol | 18594.75 | 3022.33 | 14009.25 | 21381.50 | 23526.60 | 12357.40 | 6531.67 | 10255.50 | |
| (10S)-Juvenile hormone III diol - 1.1661133 | 8940.50 | 15800.67 | 1.00 | 5986.75 | 9311.60 | 1.00 | 12742.50 | 17560.33 | |
| 1,11-Undecanedicarboxylic acid | 21631.75 | 36281.00 | 33235.00 | 33470.50 | 32389.20 | 29693.40 | 39554.83 | 30349.50 | |
| 11-Deoxytetrodotoxin | 15344.75 | 17196.33 | 15332.25 | 17420.00 | 13825.80 | 15500.60 | 12728.50 | 11042.33 | |
| 11(Z),14(Z)-Eicosadienoic Acid | 17669.75 | 8977.67 | 1784.25 | 14303.50 | 15966.00 | 9234.60 | 5453.50 | 14186.50 | |
| 12,13S-epoxy-9Z,11-octadecadienoic acid | 1152097.75 | 79162.00 | 251464.75 | 693960.75 | 516165.60 | 321893.20 | 595149.00 | 179959.50 | |
| 1?,25-dihydroxy-11?-[(1R)-oxiranyl]vitamin D3 / 1?,25-dihydr... | 7937.00 | 24319.33 | 13587.00 | 11196.75 | 1.00 | 27476.00 | 17428.83 | 8713.83 | |
| 1?,25-dihydroxy-16,17-didehydrovitamin D3 / 1?,25-dihydroxy-... | 1.00 | 1.00 | 13640.25 | 9486.00 | 5769.60 | 2765.60 | 5372.33 | 2777.17 | |
| 12-tridecynoic acid | 3533.50 | 1099.33 | 17836.50 | 1496.75 | 620.40 | 764.20 | 1.00 | 1.00 | |
| 13,14-dihydro-15-keto Prostaglandin J2 | 22531.00 | 11769.67 | 13442.00 | 51064.50 | 45163.20 | 16478.40 | 3909.67 | 24096.83 | |
| 13(S)-HpODE | 275411.25 | 51233.67 | 160852.25 | 327175.75 | 245131.00 | 121695.80 | 201331.83 | 143752.67 | |
| (±)14-HDoHE | 224592.00 | 40151.00 | 25744.50 | 86221.50 | 1.00 | 48830.40 | 52200.17 | 148131.67 | |
| 14-keto pentadecanoic acid | 1646.25 | 4082.33 | 10277.75 | 11172.00 | 13707.60 | 5890.40 | 3096.50 | 7054.33 | |
| 15-keto-PGE2 | 25343.25 | 2028.00 | 45726.00 | 67073.25 | 96588.00 | 6998.80 | 31289.67 | 17910.33 | |
| 1,5-Naphthalene diisocyanate | 151308.25 | 2404073.67 | 846269.75 | 540598.50 | 1.00 | 2143107.00 | 568795.83 | 701147.50 | |
| 16-hydroxy hexadecanoic acid | 73280.00 | 42462.67 | 21672.00 | 87087.00 | 82320.20 | 11933.20 | 43231.33 | 68822.00 | |
| 16-Oxo-palmitate | 71568.25 | 14314.33 | 60447.00 | 71561.00 | 44465.20 | 11518.60 | 36475.00 | 61115.83 | |
| 16(S)-HETE | 11224.75 | 4138.33 | 10274.00 | 76833.75 | 4292.40 | 2458.00 | 16993.00 | 10240.33 | |
| ?17-6-keto PGF1? | 4005.75 | 1.00 | 1529.50 | 16388.75 | 32409.40 | 3173.20 | 9585.33 | 1551.50 | |
| 17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one | 166594.25 | 108445.67 | 12612.50 | 135596.50 | 33229.40 | 91844.40 | 42992.67 | 139526.83 | |
| 17-Methyl-5alpha-androstane-11beta,17beta-diol | 59713.75 | 38231.67 | 9884.50 | 41391.25 | 25830.20 | 36413.20 | 15103.33 | 40501.50 | |
| 18-acetoxy-1?,25-dihydroxyvitamin D3 / 18-acetoxy-1?,25-dihy... | 7609.00 | 12405.33 | 5032.50 | 13485.25 | 1356.20 | 10246.80 | 5737.50 | 3530.83 | |
| 18-hydroxy-9S,10R-epoxy-stearic acid | 61222.25 | 37341.33 | 19185.00 | 35444.50 | 1.00 | 21605.80 | 13203.00 | 41173.50 | |
| 1^-Acetoxyeugenol acetate | 1.00 | 1804.67 | 4761.25 | 1974.00 | 1024.00 | 7863.60 | 2601.17 | 1594.83 | |
| 1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-oxo- | 22439.75 | 1.00 | 18653.50 | 44758.25 | 5117.00 | 3106.60 | 20759.50 | 8337.33 | |
| 1-Naphthalenesulfonic acid | 1.00 | 1.00 | 4324.50 | 17330.75 | 1.00 | 18115.00 | 2679.67 | 2179.00 | |
| 1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene | 16650.00 | 5156.00 | 5606.50 | 5622.25 | 5677.40 | 5766.00 | 1985.50 | 4831.67 | |
| (1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid | 3764.25 | 1.00 | 63037.50 | 24903.50 | 53056.40 | 1126.60 | 31934.83 | 10313.00 | |
| 20-carboxy-LTB4 | 1.00 | 7406.67 | 8073.00 | 1.00 | 1.00 | 2569.80 | 8223.17 | 1490.17 | |
| 2,22,25-trideoxyecdysone | 986.00 | 12161.33 | 1876.50 | 4582.50 | 2485.40 | 6589.00 | 5213.50 | 11782.00 | |
| 2,2-Dimethylglutaric acid | 4352.75 | 7267.67 | 7313.50 | 5481.00 | 7568.00 | 3652.40 | 7390.00 | 1443.00 | |
| 2,3-Dihydroxybenzoic acid | 138027.50 | 225119.00 | 88775.50 | 158330.25 | 1.00 | 228405.40 | 87761.33 | 70350.33 | |
| 2,3-dinor Thromboxane B1 | 13874.00 | 1.00 | 100484.75 | 59434.00 | 64319.00 | 542.80 | 24415.83 | 15204.50 | |
| 2,4,6-octatrienal | 1.00 | 14848.67 | 573.00 | 4616.75 | 1.00 | 16430.80 | 851.33 | 2448.50 | |
| 2,4,6-octatrienal - 1.1827954 | 1043.00 | 3377.00 | 3082.25 | 1.00 | 1.00 | 8488.00 | 1.00 | 515.17 | |
| 2,4-dimethyl-tetradecanoic acid | 7054.25 | 14697.67 | 1.00 | 6631.25 | 6085.80 | 11115.60 | 4728.00 | 1.00 | |
| 26,27-diethyl-1?,25-dihydroxy-23-oxavitamin D3 / 26,27-dieth... | 8339.50 | 13640.33 | 2216.25 | 20452.50 | 7131.80 | 12517.40 | 8110.83 | 16066.00 | |
| 2-(7^-Methylthio)heptylmalic acid | 15269.00 | 6897.00 | 11825.25 | 15019.00 | 23869.00 | 5510.60 | 12854.00 | 9451.83 | |
| 27-nor-5b-cholestane-3a,7a,12a,24,25-pentol | 11530.75 | 9288.67 | 8743.75 | 19953.75 | 13760.80 | 9273.20 | 9487.00 | 11629.00 | |
| 2-Amino-3-hydroxy-5-nitrobenzophenone | 1.00 | 1.00 | 7752.75 | 14026.25 | 5381.00 | 16315.00 | 3455.17 | 12828.00 | |
| 2-Benzothiazolesulfonamide | 19013.75 | 17172.67 | 4508.00 | 9572.00 | 17267.60 | 31169.80 | 7652.67 | 18039.67 | |
| 2^-Deoxyuridine | 200885.50 | 237453.00 | 212863.75 | 193960.75 | 190672.00 | 219914.80 | 192569.83 | 191023.67 | |
| 2E-Eicosenoic acid | 25485.25 | 6679.33 | 11482.25 | 21305.75 | 21152.00 | 10074.40 | 11176.67 | 23577.67 | |
| 2-Ethylhexyl-4-hydroxybenzoate | 21104.75 | 23398.33 | 18443.25 | 27789.00 | 26648.80 | 23976.80 | 20041.00 | 14515.00 | |
| 2-Hydroxycaproic acid | 11576.25 | 77560.67 | 27738.75 | 23113.25 | 12446.80 | 66497.20 | 12902.67 | 6303.17 | |
| 2-Hydroxyethanesulfonate | 370190.00 | 435865.00 | 361342.25 | 436634.75 | 414587.80 | 296598.00 | 301878.50 | 160283.50 | |
| 2-Hydroxyfelbamate | 47382.25 | 47133.00 | 18283.75 | 32374.50 | 35352.20 | 37631.20 | 27653.33 | 46095.17 | |
| 2-Hydroxymyristic Acid | 23489.75 | 11059.33 | 12090.00 | 29683.25 | 26306.20 | 11076.00 | 13061.50 | 32028.50 | |
| 2-Methoxyestrone 3-sulfate | 33290.50 | 4995.67 | 13718.75 | 34742.75 | 1.00 | 22607.20 | 21642.17 | 13793.33 | |
| 2-methyl-3-hydroxybutyric acid | 42013.25 | 49310.33 | 44721.25 | 21094.25 | 43257.00 | 40962.40 | 53405.33 | 23145.33 | |
| 2-Methylbutyrylglycine | 8056.50 | 42030.33 | 29112.75 | 47638.75 | 31693.60 | 39193.20 | 39477.67 | 43119.50 | |
| 2-Methylbutyrylglycine - 3.444688 | 33108.50 | 77332.33 | 24296.00 | 56446.75 | 13909.80 | 72879.60 | 18887.17 | 8969.33 | |
| 2-Naphthaleneacetic acid, 6-(sulfooxy)- | 9835.50 | 3624.67 | 2215.75 | 10674.25 | 1045.40 | 7064.20 | 1.00 | 1151.00 | |
| 2-Naphthylamine | 9150.75 | 16450.33 | 5280.75 | 9810.00 | 3272.80 | 13274.80 | 6048.17 | 8840.00 | |
| 2-Oxo-7-methylthioheptanoic acid | 7830.50 | 56383.00 | 45549.75 | 1.00 | 128461.00 | 17840.60 | 28064.67 | 54111.17 | |
| 2-Oxo-7-methylthioheptanoic acid - 2.1569676 | 15968.50 | 4824.33 | 15456.75 | 23417.00 | 4751.40 | 7044.80 | 6806.17 | 1.00 | |
| 2-oxo capric acid | 4375.50 | 3386.67 | 8435.00 | 9607.50 | 3512.80 | 1225.60 | 7723.83 | 6039.67 | |
| 2(R)-HPOT | 301215.25 | 20840.67 | 252412.25 | 291177.00 | 350497.80 | 69638.00 | 111636.50 | 96165.67 | |
| 2S-hydroxy-octadecanoic acid | 50653.00 | 56372.67 | 24743.25 | 55631.25 | 41958.80 | 48379.20 | 24985.17 | 47266.33 | |
| 3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid | 35732.75 | 8845.67 | 1.00 | 13513.75 | 1.00 | 139133.80 | 4139.17 | 61445.83 | |
| 3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 1.2354674 | 49004.75 | 21444.33 | 8643.75 | 5570.00 | 2394.80 | 23328.40 | 16818.00 | 12255.33 | |
| 3-(2,3-Dihydroxyphenyl)propanoate | 38311.75 | 116528.67 | 42129.75 | 76872.00 | 38786.60 | 145088.20 | 29225.17 | 26338.67 | |
| 3,4,2^,4^,6^,beta-Hexahydroxychalcone 2^-glucoside | 3028.00 | 7225.00 | 14938.50 | 2932.75 | 1.00 | 11598.00 | 2210.67 | 4067.50 | |
| 3,4-Dihydroxybenzylamine | 18699.25 | 3228.67 | 21562.75 | 41402.25 | 20081.20 | 9289.40 | 9868.50 | 10314.50 | |
| 3^,4^-dihydroxyflurbiprofen | 5841.00 | 1.00 | 34630.50 | 1190.00 | 1.00 | 4822.80 | 2197.33 | 1750.17 | |
| 3,4-Dihydroxyphenylglycol O-sulfate | 18556.00 | 36491.00 | 16312.75 | 23672.00 | 17455.40 | 32432.20 | 17916.00 | 19421.33 | |
| 3,4-Dihydroxypyridine | 12473.75 | 8135.67 | 5266.50 | 9471.75 | 4173.00 | 6642.20 | 3017.50 | 5385.50 | |
| 3,4-Dihydroxystyrene | 1.00 | 13058.00 | 9950.00 | 1.00 | 1.00 | 11788.40 | 8186.00 | 1.00 | |
| 3,5-Dihydroxy-1,4-naphthoquinone | 12907.75 | 9598.67 | 13354.50 | 11145.75 | 12015.80 | 7308.00 | 9151.50 | 7314.50 | |
| 3?,5?-Dihydroxycholan-24-oic Acid | 2828.00 | 1.00 | 1457.75 | 9728.25 | 11236.80 | 2491.40 | 1326.50 | 3617.50 | |
| 3?,7?,12?-Trihydroxy-24-methyl-5?-cholest-23-en-26-oic acid | 2136.50 | 5458.67 | 3986.50 | 6533.50 | 8675.00 | 1946.20 | 2425.83 | 1118.67 | |
| 3?,7?-Dihydroxy-5?-cholestanate - 1.2261018 | 1389.25 | 4517.00 | 6246.75 | 5557.75 | 737.40 | 2182.20 | 3711.83 | 3236.83 | |
| 3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one | 13425.25 | 12139.67 | 12080.75 | 20751.00 | 17486.40 | 7873.80 | 9113.50 | 2937.17 | |
| 3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oic Acid | 59416.75 | 27447.00 | 7276.00 | 32077.50 | 19875.80 | 216029.00 | 19214.17 | 24342.00 | |
| 3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oic Acid - 1... | 30306.25 | 55123.67 | 9109.50 | 68533.25 | 7064.60 | 136675.80 | 25737.83 | 106639.83 | |
| 3-Amino-4,7-dihydroxy-8-methylcoumarin | 4631.75 | 13457.00 | 6534.00 | 9298.00 | 1.00 | 10700.40 | 6965.67 | 1360.50 | |
| 3-(a-Naphthoxy)lactic acid | 49659.75 | 6487.67 | 3776.00 | 63565.25 | 95913.80 | 33485.60 | 2893.00 | 8332.83 | |
| 3-butyrl propionic acid | 579.50 | 1.00 | 2423.75 | 1.00 | 3749.40 | 1106.60 | 457.17 | 1277.83 | |
| 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate | 67747.75 | 38544.00 | 39414.25 | 34310.75 | 24219.00 | 38793.00 | 42703.83 | 34179.00 | |
| 3-Imidazole-2-oxopropanoate | 44687.75 | 59613.00 | 28826.00 | 74844.00 | 33950.80 | 53820.40 | 28804.17 | 52668.67 | |
| 3-Indoleacetic Acid | 1.00 | 1864.33 | 756.75 | 4913.75 | 1.00 | 3365.80 | 1.00 | 1320.83 | |
| (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate | 4766.50 | 3425.33 | 3608.25 | 4331.75 | 3821.80 | 10614.80 | 3466.17 | 2364.50 | |
| 3-Methoxy-androsta-3,5-diene-7,17-dione | 29274.75 | 35917.67 | 43403.00 | 33137.00 | 29566.40 | 21367.00 | 34150.67 | 19090.67 | |
| 3-Methyl-2-oxovaleric acid | 17323.75 | 31792.67 | 2884.75 | 17134.50 | 3365.60 | 28156.60 | 6470.50 | 17052.00 | |
| 3-Methyldioxyindole | 3815.25 | 18609.33 | 9079.50 | 8757.75 | 1.00 | 13892.20 | 6723.00 | 10674.00 | |
| 3-Methyloxindole | 924.00 | 1602.67 | 1.00 | 7475.75 | 1.00 | 7820.20 | 4572.83 | 3619.83 | |
| 3-Oxoalanine | 1984.25 | 2922.00 | 2148.25 | 4788.00 | 3584.80 | 3729.80 | 2057.50 | 632.33 | |
| 3-oxo-dodecanoic acid | 36131.00 | 9222.33 | 21089.25 | 46428.50 | 48914.00 | 5962.40 | 20442.00 | 67445.00 | |
| 3-Oxohexanoyl-coenzyme A | 1.00 | 10328.00 | 1.00 | 1.00 | 4628.20 | 1092.20 | 2762.17 | 2418.67 | |
| 3-oxo-tetradecanoic acid | 151094.75 | 40315.67 | 48785.25 | 178608.25 | 193770.40 | 37826.60 | 50837.00 | 237747.83 | |
| (3R)-3-isopropenyl-6-oxoheptanoic acid | 40148.75 | 903.67 | 43476.00 | 21706.25 | 93637.60 | 9681.00 | 44280.83 | 22336.67 | |
| 3-Sulfino-L-alanine | 172829.50 | 122756.00 | 215309.00 | 285167.25 | 234917.80 | 116459.80 | 185667.00 | 157649.00 | |
| 3-Sulfocatechol | 241668.75 | 579972.00 | 312363.50 | 396286.00 | 1.00 | 622674.00 | 265006.00 | 117284.33 | |
| 4,14-Dimethyl-hexadecanoic acid | 6438.00 | 13881.67 | 5109.50 | 6470.75 | 4123.40 | 9236.00 | 4863.67 | 1.00 | |
| 4-(2-Aminophenyl)-2,4-dioxobutanoic acid | 12589.25 | 69947.33 | 39790.50 | 35498.25 | 1.00 | 59098.80 | 25944.33 | 40142.00 | |
| 4,4^-Thiodianiline | 18127.50 | 27587.67 | 15800.50 | 17869.25 | 18187.60 | 21794.80 | 13220.67 | 18036.00 | |
| 4,4^-Thiodianiline - 6.182754 | 6243.00 | 12309.67 | 7162.75 | 10413.75 | 9715.00 | 10362.00 | 6582.33 | 9817.00 | |
| 4,6-Dihydroxyquinoline | 11978.00 | 16334.33 | 1763.50 | 1977.50 | 1.00 | 13222.40 | 3454.33 | 1.00 | |
| 4,7,10,13-Hexadecatetraenoic acid | 7364.00 | 6077.00 | 1.00 | 15072.00 | 8214.80 | 3062.60 | 4294.00 | 14862.00 | |
| 4E-Decenedioic acid | 9253.00 | 1.00 | 47139.00 | 26657.00 | 92408.20 | 2144.00 | 11319.67 | 6395.17 | |
| 4-hydroxy-2-oxo-Heptanedioic acid | 5391.00 | 1.00 | 1.00 | 4995.75 | 2728.40 | 7133.40 | 2495.33 | 6802.00 | |
| 4-Hydroxy-6-methylpyran-2-one | 24589.50 | 1.00 | 39813.25 | 46434.00 | 40461.00 | 4529.00 | 23829.67 | 13852.00 | |
| 4-hydroxybutanoic acid | 209468.75 | 118993.67 | 118219.00 | 181724.75 | 204838.00 | 100717.20 | 129752.67 | 316538.83 | |
| 4-hydroxy capric acid | 22126.75 | 3919.67 | 9708.50 | 29860.00 | 25994.40 | 2194.40 | 9888.83 | 25103.83 | |
| 4-Hydroxyphenylpyruvic acid | 1.00 | 9867.00 | 6427.75 | 1.00 | 1.00 | 8981.00 | 6401.50 | 1.00 | |
| 4-Octenedioic acid | 48764.75 | 1.00 | 1.00 | 16250.75 | 3623.60 | 1.00 | 1.00 | 16212.50 | |
| 4-oxo-9Z,11E,13E-octadecatrienoic acid | 108643.00 | 8382.00 | 53027.50 | 63817.50 | 124435.20 | 25241.00 | 59763.50 | 39874.50 | |
| 4-Quinolinecarboxylic acid | 12381.75 | 6723.67 | 8242.00 | 7940.50 | 2280.60 | 11533.60 | 9268.50 | 8974.83 | |
| 4-Sulfobenzyl alcohol | 117745.75 | 197629.00 | 415639.75 | 534066.75 | 110915.40 | 197962.20 | 1973200.67 | 136973.17 | |
| 5,6-Dihydrouridine | 36371.00 | 53739.67 | 29321.00 | 76502.25 | 30205.40 | 41905.60 | 31128.17 | 53364.83 | |
| 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline | 45532.50 | 75736.67 | 48678.25 | 212108.50 | 34546.40 | 64672.60 | 19467.50 | 35051.83 | |
| 5,7,4^-Trihydroxyflavanone 7-sulfate | 17681.50 | 18962.33 | 12882.50 | 2425.25 | 1.00 | 18161.60 | 16859.67 | 618.50 | |
| 5,7-nonadienal | 978.75 | 1.00 | 3414.75 | 4277.25 | 7300.20 | 1.00 | 431.83 | 1469.33 | |
| 5-Acetylamino-6-formylamino-3-methyluracil | 13301.75 | 89568.00 | 45567.25 | 16759.50 | 45173.20 | 47659.80 | 29739.00 | 39702.83 | |
| 5alpha-Androstan-17beta-ol propionate | 23196.00 | 19229.33 | 2447.75 | 27470.25 | 13962.60 | 16623.20 | 5797.67 | 27272.33 | |
| 5-Amino-1-ribofuranosylimidazole-4-carboxyamide | 8244.25 | 4682.67 | 9367.75 | 4428.00 | 6693.00 | 3565.00 | 9334.83 | 1500.83 | |
| 5?-Chola-7,9(11)-dien-24-oic Acid | 33138.75 | 21766.67 | 1.00 | 22926.75 | 2522.00 | 20237.00 | 1527.00 | 19452.67 | |
| 5-Cholestene-3?,7?,12?,24-tetrol | 1891.25 | 4608.00 | 557.50 | 10062.00 | 7486.20 | 5408.40 | 2228.50 | 5354.00 | |
| 5-Hydroxyindoleacetic acid | 6072.75 | 21738.67 | 15925.50 | 21940.50 | 1.00 | 22375.20 | 10814.67 | 8353.17 | |
| 5-Hydroxyisourate | 478175.25 | 238392.33 | 170000.00 | 194901.00 | 216580.20 | 343142.80 | 204366.17 | 246317.00 | |
| 5-Methoxyindoleacetate | 34385.00 | 1.00 | 20878.00 | 44087.75 | 1.00 | 32877.00 | 26730.00 | 1.00 | |
| 5-Methyldeoxycytidine | 4976.00 | 6354.67 | 5303.00 | 3378.25 | 6651.00 | 3305.80 | 5825.50 | 915.00 | |
| 5-O-Methylembelin | 43434.25 | 1.00 | 119618.00 | 112083.00 | 256091.80 | 13760.60 | 73279.83 | 36796.33 | |
| 5-Oxoavermectin ^^2a^^ aglycone | 3233.00 | 2730.33 | 8300.50 | 6353.25 | 4282.00 | 3510.40 | 3416.83 | 6150.00 | |
| 5-Oxo-ETE | 200067.00 | 30730.33 | 54541.25 | 106942.50 | 65379.60 | 49975.40 | 60733.17 | 138148.83 | |
| 5-Sulfosalicylic acid | 2122.50 | 38475.33 | 21139.25 | 11794.75 | 1.00 | 32978.00 | 9221.83 | 5771.00 | |
| 5-Sulfosalicylic acid - 0.97004646 | 1695.25 | 82324.67 | 30789.00 | 10249.50 | 1.00 | 57580.40 | 7275.67 | 1.00 | |
| 5-Sulfosalicylic acid - 1.5343589 | 4414.00 | 3501.67 | 6581.00 | 663.75 | 4655.40 | 6843.20 | 8181.00 | 1970.67 | |
| 5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid | 9335.75 | 5280.00 | 3832.00 | 15840.75 | 541.00 | 2285.40 | 7315.50 | 10633.00 | |
| 6alpha-Methylprogesterone | 1944844.75 | 1098038.33 | 106476.25 | 1153119.50 | 201849.00 | 920089.80 | 455184.00 | 1288886.33 | |
| 6-keto-n-caprylic acid | 2752.25 | 3553.33 | 18560.75 | 14865.00 | 14226.40 | 7976.80 | 2131.00 | 6219.33 | |
| 6-Nitrochrysene | 908.00 | 2775.33 | 1221.25 | 2016.25 | 1.00 | 2351.20 | 2376.83 | 1.00 | |
| 6-O-Methyleuparin | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 12016.60 | 2731.83 | 3950.17 | |
| (6S)-dehydrovomifoliol | 13289.50 | 2611.33 | 31376.75 | 23730.50 | 37710.60 | 6218.60 | 23576.33 | 11249.33 | |
| 7?,12?-Dihydroxy-5?-cholan-24-oic Acid | 24148.75 | 9210.00 | 3481.75 | 36982.50 | 15944.20 | 31066.80 | 11183.83 | 10417.83 | |
| 7,4^-Dihydroxyflavone | 2619.25 | 36691.33 | 5999.00 | 15373.50 | 1.00 | 34472.00 | 1925.67 | 26633.33 | |
| 7-Decynoic acid, 5-oxo- | 18961.50 | 3827.00 | 7738.00 | 32338.25 | 26537.00 | 1116.20 | 8830.00 | 10976.33 | |
| 7-Hydroxydoxazosin | 468.50 | 1393.00 | 1.00 | 4330.50 | 1.00 | 3676.00 | 4237.50 | 5669.67 | |
| 7-keto-stearic acid | 1.00 | 6768.00 | 1424.00 | 1654.50 | 1.00 | 1.00 | 1332.83 | 1.00 | |
| 8-Epiiridotrial glucoside | 16504.25 | 7511.33 | 17209.50 | 10973.75 | 14333.40 | 2091.20 | 11987.83 | 7332.00 | |
| 8-Epiiridotrial glucoside - 1.5395757 | 26305.50 | 34637.00 | 30357.00 | 31432.50 | 24125.80 | 29688.40 | 23663.67 | 26395.33 | |
| 8-HETE | 310610.25 | 215748.33 | 39384.50 | 390559.25 | 179662.40 | 177817.00 | 70985.33 | 859814.83 | |
| 8-Hydroxy-3,5,7,3^,4^,5^-hexamethoxyflavone | 11702.50 | 64995.67 | 31582.00 | 9293.25 | 1.00 | 51282.40 | 9146.17 | 1.00 | |
| 8(S)-HETrE | 33912.50 | 1088.00 | 2486.00 | 34546.25 | 23238.40 | 10797.20 | 9913.67 | 19560.67 | |
| (±)9,10-DiHOME | 77608.75 | 1.00 | 127462.00 | 127581.25 | 334266.80 | 14634.80 | 79185.33 | 56398.83 | |
| 9,10-dihydroxy stearic acid | 16725.25 | 18951.67 | 20778.00 | 25704.25 | 19139.40 | 18518.00 | 14625.17 | 17288.67 | |
| 9-dodecynoic acid | 1.00 | 6699.33 | 3501.00 | 1.00 | 1.00 | 7999.40 | 2213.17 | 1.00 | |
| 9-hydroperoxy-12,13-epoxy-10-octadecenoic acid | 28269.75 | 1.00 | 94676.25 | 91024.50 | 136580.00 | 9434.80 | 105355.67 | 46478.50 | |
| 9-hydroperoxy-12,13-epoxy-10-octadecenoic acid - 1.2004614 | 30472.25 | 1.00 | 106500.25 | 56821.50 | 121792.40 | 1530.00 | 25650.83 | 11948.33 | |
| 9-oxo-nonanoic acid | 23059.75 | 10118.33 | 66648.50 | 57199.50 | 48243.40 | 15386.00 | 36379.67 | 15571.83 | |
| 9S,10S,11R-trihydroxy-12Z-octadecenoic acid | 136411.75 | 7621.67 | 133842.00 | 190930.25 | 121875.20 | 33938.00 | 69860.50 | 44849.50 | |
| 9S,12S,13S-trihydroxy-10E-octadecenoic acid - 1.3309315 | 171832.25 | 8701.00 | 149931.25 | 152713.25 | 123771.80 | 20800.60 | 81741.50 | 27529.17 | |
| (9S,13S)-1a,1b-dihomo-jasmonic acid | 13824.50 | 962.00 | 15252.75 | 1853.25 | 34973.40 | 585.20 | 1260.50 | 3334.00 | |
| 9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic acid | 9401.00 | 4668.00 | 7091.75 | 16516.50 | 5002.00 | 18269.20 | 10296.83 | 15319.17 | |
| 9Z,11E,13-Tetradecatrienal | 1.00 | 2183.67 | 1970.25 | 3374.25 | 2488.40 | 2125.40 | 1222.50 | 729.50 | |
| Abu-His-OH | 1.00 | 18473.00 | 7160.50 | 1.00 | 1.00 | 17762.40 | 6629.67 | 1.00 | |
| Acetoacetic acid | 1.00 | 30293.00 | 14311.75 | 6821.75 | 8366.60 | 23866.60 | 1.00 | 15178.83 | |
| Adipic acid | 39768.75 | 105384.67 | 88395.75 | 24453.25 | 30017.60 | 109282.80 | 63735.00 | 10365.00 | |
| AG-18 | 4864.25 | 5168.33 | 2089.25 | 14398.75 | 3584.00 | 17619.40 | 5579.33 | 8699.00 | |
| alhpa-tocopheronolactone | 6490.00 | 3313.67 | 1.00 | 234290.00 | 1129.20 | 4615.60 | 2192.67 | 5242.17 | |
| Allantoin | 773685.50 | 877199.00 | 609542.00 | 833092.25 | 517359.40 | 782014.00 | 611608.50 | 538808.50 | |
| Alloxydim | 77512.50 | 107085.67 | 35291.25 | 44298.75 | 47744.80 | 101032.40 | 73945.67 | 79676.83 | |
| all-trans-heptaprenyl diphosphate | 1.00 | 33247.00 | 5933.50 | 1.00 | 1.00 | 15042.00 | 1.00 | 3404.17 | |
| Allysine | 24764.00 | 20908.33 | 16135.75 | 34724.75 | 9400.60 | 25810.60 | 4588.67 | 7856.83 | |
| Aminopterin | 49273.25 | 8886.00 | 8554.50 | 6212.75 | 6016.40 | 20601.00 | 38886.33 | 19095.17 | |
| Angiotensin III | 466.75 | 2473.33 | 553.00 | 1.00 | 405.60 | 633.80 | 455.67 | 450.67 | |
| Angustibalin | 40556.75 | 45381.00 | 37648.50 | 49274.25 | 38083.40 | 41183.00 | 37692.17 | 15211.83 | |
| Anhalamine | 154081.25 | 254695.00 | 73006.00 | 154821.00 | 241234.60 | 201453.60 | 113268.67 | 262072.33 | |
| Anhydroglycinol | 3798.75 | 15879.00 | 2653.25 | 19027.00 | 1.00 | 24347.20 | 3878.83 | 23932.17 | |
| Anhydrorhodovibrin | 4203.00 | 8227.67 | 3252.25 | 2808.50 | 2957.00 | 4897.40 | 5628.83 | 2742.67 | |
| Antirrhinoside | 29519.50 | 17883.33 | 29104.75 | 26834.25 | 41699.40 | 17476.60 | 23824.67 | 23895.17 | |
| Arachidonic Acid (peroxide free) | 555051.50 | 463507.00 | 102668.00 | 414785.75 | 253324.40 | 414305.40 | 228558.83 | 523049.00 | |
| Argiotoxin 659 | 7636.00 | 1.00 | 24610.75 | 15913.75 | 30209.20 | 2413.00 | 17631.83 | 4890.83 | |
| Arg Pro Thr | 34271.25 | 1419.67 | 44200.25 | 221398.25 | 39064.40 | 21383.00 | 37596.17 | 108922.83 | |
| Artabsin | 2079.75 | 1.00 | 6219.75 | 13123.75 | 13106.00 | 1.00 | 2187.17 | 2342.50 | |
| Ascorbate 2-sulfate | 379671.25 | 345513.00 | 287784.25 | 312628.75 | 369677.40 | 276254.80 | 339372.00 | 327545.83 | |
| Asiatic acid | 3976.50 | 1.00 | 3324.00 | 7617.75 | 4517.60 | 4344.60 | 5670.33 | 14097.00 | |
| Aspidin | 48839.00 | 50251.00 | 36879.25 | 38206.75 | 25652.80 | 46665.00 | 34752.17 | 40449.33 | |
| Aspulvinone H | 28274.00 | 32756.67 | 27487.25 | 33315.75 | 24988.80 | 33155.80 | 24320.00 | 30189.00 | |
| Auricularine | 10677.75 | 8264.67 | 6908.00 | 11174.25 | 1.00 | 9649.00 | 8430.33 | 7495.50 | |
| Barbiturate | 419.75 | 1132.67 | 1.00 | 14127.00 | 1.00 | 4899.60 | 1.00 | 1848.00 | |
| Bendiocarb | 5657.50 | 22191.00 | 6696.25 | 14604.75 | 15304.80 | 18161.80 | 12818.67 | 10277.50 | |
| Benfuresate | 10203.00 | 7247.67 | 7294.75 | 7648.25 | 7329.60 | 9507.80 | 9958.67 | 12161.50 | |
| Benzoic acid | 334467.00 | 979734.33 | 318666.50 | 494498.00 | 234586.00 | 884162.00 | 323436.00 | 307841.83 | |
| beta-hydroxylauric acid | 6788.50 | 4042.00 | 5320.25 | 24032.50 | 22703.80 | 5988.80 | 11219.00 | 24069.50 | |
| Borreverine | 17973.00 | 16415.67 | 14700.00 | 22880.75 | 3231.60 | 18273.00 | 15571.83 | 18034.00 | |
| Botrydial | 91716.25 | 46571.67 | 60125.00 | 48367.75 | 56322.40 | 49278.60 | 46783.50 | 52563.00 | |
| Botrydial - 2.1188974 | 8106.50 | 15928.67 | 11717.75 | 9362.75 | 12724.40 | 8452.40 | 11280.83 | 1.00 | |
| Brucine | 4816.50 | 1.00 | 8596.25 | 10493.75 | 13389.60 | 1869.20 | 2561.83 | 2462.83 | |
| Bumetanide M1 | 360.75 | 1434.33 | 4717.25 | 863.75 | 2268.00 | 3805.00 | 1434.67 | 277.00 | |
| Butein 4^-arabinosyl-(1-4)-galactoside | 6397.75 | 12269.00 | 7312.75 | 6817.25 | 1607.40 | 14479.00 | 6938.67 | 2938.50 | |
| Callicarpone | 18786.75 | 4658.00 | 9607.50 | 30749.00 | 35371.00 | 4813.20 | 14440.17 | 12943.17 | |
| Capryloylglycine | 11848.00 | 13925.33 | 13206.50 | 7065.00 | 10800.00 | 11294.20 | 13671.00 | 9415.17 | |
| Capryloylglycine - 2.4119985 | 17571.00 | 10243.33 | 4842.50 | 16599.75 | 2758.20 | 9873.40 | 7004.17 | 11889.67 | |
| Carboxyprimaquine | 4112.00 | 4164.00 | 22187.25 | 10816.75 | 11279.60 | 1261.60 | 13329.33 | 6452.83 | |
| Carboxyprimaquine - 2.2894254 | 4409.00 | 7471.33 | 29280.00 | 11670.75 | 13900.40 | 3326.60 | 19902.33 | 2622.17 | |
| Carnosol | 6439.50 | 12945.67 | 5983.75 | 18235.50 | 3027.40 | 13709.20 | 6167.17 | 9115.50 | |
| Caryoptin | 1516.50 | 3578.33 | 2618.75 | 2732.25 | 5035.00 | 1199.40 | 968.00 | 10205.33 | |
| Cefaclor | 7793.25 | 3225.33 | 10411.50 | 713.50 | 1.00 | 4116.60 | 6036.67 | 1.00 | |
| Chaulmoogric acid | 630715.00 | 366061.67 | 201249.00 | 409848.25 | 203280.20 | 336993.60 | 290846.00 | 519650.67 | |
| Chaulmoogric acid - 6.7127714 | 10919.75 | 12381.67 | 5494.50 | 10147.75 | 5865.00 | 15343.20 | 9458.33 | 8693.17 | |
| Chaulmoogric acid - 6.811256 | 21920.00 | 16678.33 | 8905.00 | 18563.50 | 11032.00 | 18270.20 | 13208.67 | 10400.83 | |
| cholesterol sulfate | 566035.25 | 443603.67 | 518418.00 | 616002.00 | 943046.80 | 495290.60 | 509793.83 | 555821.00 | |
| Chymostatin | 7469.50 | 1944.00 | 808.50 | 5368.25 | 1384.60 | 3741.20 | 4905.67 | 2778.33 | |
| Clobetasol propionate | 26270.75 | 1.00 | 30399.75 | 8925.50 | 27191.80 | 16206.40 | 25835.00 | 1846.83 | |
| Coenzyme Q4 | 1302.25 | 6857.00 | 4793.00 | 1.00 | 1.00 | 11781.80 | 1280.67 | 1.00 | |
| Compactin diol lactone | 3232.25 | 2399.33 | 14570.75 | 1.00 | 11551.20 | 7170.00 | 9176.33 | 4557.50 | |
| Convicine | 5120.00 | 11034.33 | 11387.00 | 8279.75 | 7492.80 | 7435.40 | 9898.83 | 9069.33 | |
| Cornudentanone | 22118.75 | 907.33 | 9746.25 | 9791.00 | 10870.00 | 5022.80 | 9063.33 | 2670.50 | |
| Creatinine | 33413.50 | 48150.33 | 33499.75 | 32378.50 | 21552.40 | 45808.00 | 28524.67 | 16104.00 | |
| Cucurbitacin S | 8411.25 | 1.00 | 38701.50 | 29237.75 | 50600.80 | 2190.80 | 15456.33 | 7957.67 | |
| Cymarin | 1.00 | 2974.67 | 1.00 | 1.00 | 1.00 | 4421.60 | 1.00 | 1102.67 | |
| Cytidine | 42409.50 | 23537.67 | 25073.50 | 37267.75 | 44265.60 | 23908.80 | 22521.00 | 32632.33 | |
| Cytidine - 9.126549 | 15694.25 | 13808.33 | 12557.50 | 14159.50 | 11339.40 | 15062.00 | 9555.67 | 7154.00 | |
| D-(+)-3-Phenyllactic acid | 1.00 | 18761.00 | 5706.00 | 4112.25 | 1.00 | 17513.60 | 3895.17 | 4051.33 | |
| Daimuron | 521.75 | 1.00 | 7211.00 | 2853.75 | 7863.00 | 351.00 | 2145.83 | 1566.50 | |
| D-Alanine | 18992.75 | 16026.33 | 9975.00 | 18961.50 | 11178.60 | 18386.40 | 21389.50 | 19514.17 | |
| DCI | 25269.75 | 5472.67 | 14451.00 | 19319.75 | 5445.60 | 14516.40 | 7904.50 | 13515.67 | |
| Debromohymenialdisine | 37544.00 | 31276.00 | 56887.50 | 44885.00 | 40544.60 | 41411.80 | 37973.83 | 23334.67 | |
| Decoside | 1.00 | 7681.67 | 1.00 | 1306.00 | 1.00 | 1.00 | 1.00 | 2326.17 | |
| Decursinol | 44067.50 | 75545.33 | 92017.50 | 74278.25 | 65541.20 | 67171.40 | 56138.17 | 19401.17 | |
| Demethyltexasin | 1.00 | 15103.67 | 1.00 | 11742.25 | 1.00 | 15253.00 | 609.67 | 24598.83 | |
| deschlorobenzoyl Indomethacin | 5926.50 | 1.00 | 6277.50 | 12960.25 | 9223.60 | 2078.40 | 9690.50 | 3771.00 | |
| desmethylnortriptyline glucuronide | 1369.00 | 2875.00 | 9746.00 | 6300.50 | 6698.20 | 7978.20 | 11390.00 | 5035.33 | |
| DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) | 1360.25 | 7703.33 | 1.00 | 7614.25 | 9890.20 | 19852.80 | 1684.50 | 7628.17 | |
| DG(15:0/22:4(7Z,10Z,13Z,16Z)/0:0) | 56831.50 | 70843.67 | 39035.25 | 53590.00 | 36700.80 | 65091.00 | 70870.00 | 71870.33 | |
| DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) | 209289.50 | 196179.67 | 147950.25 | 171186.00 | 212194.00 | 227275.00 | 324239.83 | 255438.50 | |
| DG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0) | 4840.75 | 2617.00 | 4609.25 | 6487.25 | 3968.80 | 5563.40 | 4203.17 | 8313.00 | |
| DG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) | 36665.25 | 41791.67 | 39829.25 | 57101.00 | 32982.60 | 42857.00 | 39889.17 | 67872.00 | |
| DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0) | 168141.75 | 150803.00 | 159282.50 | 292512.25 | 143371.40 | 167918.80 | 174401.33 | 357858.67 | |
| DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0) | 14223.75 | 13504.33 | 1589.75 | 7327.50 | 3668.40 | 11678.00 | 6237.50 | 3537.00 | |
| DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0) | 1617.50 | 1.00 | 777.75 | 5648.50 | 953.00 | 1098.20 | 862.17 | 8205.50 | |
| D-Glucose 6-sulfate | 3095.25 | 6400.67 | 2320.75 | 6360.00 | 4644.40 | 1948.00 | 2157.17 | 3748.83 | |
| D-Glutamine | 251361.50 | 370525.67 | 241409.25 | 259311.75 | 258264.20 | 294926.80 | 254132.17 | 298562.83 | |
| Diethyl adipate | 19295.75 | 15830.00 | 6772.25 | 17207.00 | 1972.60 | 12410.60 | 8073.67 | 9858.33 | |
| Diethyl adipate - 1.2166648 | 123286.00 | 41365.67 | 134764.50 | 138864.75 | 70349.80 | 49033.60 | 121455.67 | 118870.67 | |
| Dihydroclavaminic acid | 6073.25 | 1.00 | 8513.75 | 7962.50 | 11748.80 | 995.00 | 7083.33 | 4914.17 | |
| Dihydrojasmonic Acid, Methyl Ester | 15883.00 | 1.00 | 7159.50 | 7555.00 | 20767.60 | 3873.60 | 16155.50 | 8947.33 | |
| Dihydrojasmonic Acid, Methyl Ester - 1.2360836 | 874.25 | 1841.33 | 932.25 | 820.75 | 4091.20 | 3965.60 | 1257.17 | 1686.67 | |
| dihydrophaseic acid | 2149.00 | 5431.67 | 1916.75 | 16710.00 | 6560.20 | 1397.00 | 4512.17 | 5274.83 | |
| Dimethyl adipate | 33682.00 | 26748.33 | 28369.25 | 40409.00 | 26251.80 | 30444.80 | 23030.50 | 19563.83 | |
| Di-n-decyl phthalate | 17919.00 | 21126.67 | 4939.75 | 29822.00 | 18397.60 | 18499.60 | 12366.33 | 25063.83 | |
| Dinoseb | 76856.25 | 48996.00 | 23087.25 | 78770.75 | 63901.40 | 71536.40 | 61766.83 | 57721.83 | |
| DL-2-Aminoadipic acid | 936.00 | 5387.00 | 783.25 | 1957.50 | 1.00 | 1.00 | 1109.00 | 2549.00 | |
| DL-3-hydroxy caproic acid | 34886.75 | 1.00 | 7430.25 | 12665.25 | 25443.00 | 1.00 | 40499.67 | 12846.83 | |
| DL-9-hydroxy stearic acid | 9375.00 | 5207.33 | 6116.50 | 19881.25 | 3116.40 | 10186.60 | 8427.50 | 13624.67 | |
| DL-a-Hydroxybutyric acid | 64390.25 | 125421.67 | 79037.50 | 109164.50 | 56359.00 | 84341.00 | 61568.83 | 69417.50 | |
| D-Leucic acid | 14624.50 | 6412.67 | 7827.75 | 12830.25 | 14414.20 | 6600.00 | 12271.50 | 18124.33 | |
| DL-Serine | 17956.00 | 43108.67 | 42884.00 | 17268.25 | 40350.20 | 37310.60 | 40545.83 | 45216.50 | |
| DL-Tyrosine | 44677.50 | 34616.67 | 42791.75 | 53522.00 | 56380.00 | 82820.00 | 52815.67 | 52128.00 | |
| DL-Tyrosine - 6.185105 | 16400.00 | 88350.67 | 17905.25 | 53204.50 | 24601.80 | 14616.60 | 7850.67 | 13636.00 | |
| Docosanedioic acid | 5941.50 | 2883.00 | 1774.25 | 6352.00 | 3651.00 | 2967.00 | 1735.50 | 962.00 | |
| docusate | 1889.50 | 4645.33 | 1170.00 | 2791.25 | 1.00 | 1439.40 | 788.17 | 1.00 | |
| Dodecanedioic acid | 13887.25 | 27720.67 | 20203.25 | 23699.25 | 19000.80 | 33554.80 | 21170.50 | 16291.33 | |
| doxylamine | 1.00 | 1288.00 | 1.00 | 614.75 | 1.00 | 4328.20 | 1.00 | 856.17 | |
| D-Phenylalanine | 84698.25 | 138843.67 | 96418.25 | 137146.00 | 82814.20 | 123268.80 | 98405.00 | 86345.83 | |
| D-Proline | 2575.25 | 12337.67 | 5896.50 | 8593.25 | 2621.40 | 9435.40 | 4611.50 | 3209.00 | |
| Drazoxolon | 584.50 | 5854.67 | 836.50 | 2084.50 | 435.60 | 3443.40 | 697.83 | 1.00 | |
| D-Sorbitol | 44739.50 | 138494.67 | 57202.75 | 76520.50 | 129805.60 | 78773.20 | 67184.67 | 71478.67 | |
| D-Tryptophan | 25359.75 | 29254.33 | 21779.75 | 30268.25 | 7671.20 | 8290.80 | 13998.83 | 13113.33 | |
| Dulcitol | 12700.75 | 9480.33 | 2166.75 | 3128.75 | 1.00 | 12368.40 | 5969.67 | 10977.17 | |
| edetate | 9098.00 | 12793.67 | 5839.50 | 17436.50 | 6003.60 | 10067.40 | 4636.17 | 11936.33 | |
| Embelin | 105907.75 | 53886.67 | 65397.25 | 99733.75 | 38391.40 | 62206.60 | 38318.67 | 82937.83 | |
| Embelin - 2.1210034 | 92991.25 | 115323.33 | 78262.00 | 87878.25 | 83767.20 | 88184.00 | 74870.67 | 18370.17 | |
| epi-4^-hydroxyjasmonic acid | 16636.25 | 1225.00 | 84284.25 | 4332.75 | 169253.80 | 3611.40 | 24650.00 | 21813.00 | |
| Epibatidine | 92821.25 | 71054.67 | 83600.75 | 109866.00 | 115800.80 | 65151.40 | 76932.00 | 78746.67 | |
| Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate | 9859.25 | 57563.00 | 41329.25 | 276769.50 | 6568.00 | 31159.20 | 39706.00 | 38048.00 | |
| Erythromycin C | 1.00 | 1.00 | 6288.75 | 6821.75 | 862.60 | 1.00 | 1.00 | 1.00 | |
| Ethyl 3-(N-butylacetamido)propionate | 46278.50 | 50906.00 | 49403.00 | 31117.75 | 39419.20 | 41341.20 | 45646.00 | 39847.33 | |
| Ethyl (R)-3-hydroxyhexanoate | 13608.00 | 4508.67 | 8077.00 | 22012.50 | 18732.40 | 6322.40 | 5666.67 | 14352.67 | |
| Etioporphyrin III | 11576.25 | 5695.33 | 7457.25 | 15014.50 | 1.00 | 11197.00 | 9543.50 | 10253.00 | |
| Evodiamine | 8435.25 | 3723.67 | 2422.00 | 9913.00 | 1.00 | 5161.20 | 5505.50 | 531.17 | |
| Falaconitine | 1.00 | 1.00 | 15589.75 | 12751.00 | 28189.60 | 1.00 | 5918.50 | 1.00 | |
| Fampridine | 6648.75 | 17906.67 | 24016.00 | 26496.50 | 40748.20 | 18528.80 | 25839.00 | 14885.67 | |
| Fampridine - 2.7416701 | 17455.75 | 26152.67 | 34867.25 | 10961.75 | 18212.00 | 22833.00 | 27882.67 | 17854.83 | |
| Faropenem | 44036.25 | 87301.00 | 158891.50 | 37419.00 | 1.00 | 65935.00 | 137423.50 | 50535.67 | |
| Fenothiocarb | 1914.50 | 823.00 | 2160.75 | 4279.25 | 1630.40 | 679.00 | 1.00 | 491.17 | |
| Ferimzone | 43126.00 | 26393.67 | 36638.75 | 32422.75 | 36306.60 | 25694.00 | 33187.00 | 49194.00 | |
| Fexofenadine | 71527.75 | 67970.33 | 9794.75 | 39721.00 | 19868.80 | 67895.60 | 23821.67 | 53836.17 | |
| Fexofenadine - 5.6491313 | 215751.25 | 76501.67 | 13324.75 | 93296.25 | 37813.80 | 67716.20 | 29585.33 | 92041.50 | |
| Forchlorfenuron | 1128.50 | 5553.67 | 1180.25 | 941.00 | 547.80 | 5011.60 | 782.83 | 1168.50 | |
| Formimidoyl-fortimicin A | 24055.75 | 1572.00 | 47519.25 | 20148.75 | 79129.60 | 20548.00 | 41667.67 | 3383.33 | |
| Furfural diethyl acetal | 5536.00 | 1.00 | 47936.75 | 41256.50 | 28486.00 | 1346.80 | 11658.17 | 5913.17 | |
| Furmecyclox | 24671.25 | 24716.67 | 20489.00 | 47397.00 | 24722.20 | 26702.20 | 21570.33 | 25819.83 | |
| Fusarin C | 6040.00 | 811.33 | 1.00 | 3803.50 | 2381.40 | 1.00 | 539.33 | 4737.67 | |
| Gal?1-3[Neu5Ac?2,6]GalNAc?-Thr | 4693.75 | 6000.33 | 1.00 | 1195.00 | 1.00 | 5551.80 | 679.33 | 4176.50 | |
| Ganglioside GA2 (d18:1/16:0) | 20416.00 | 11221.67 | 13273.25 | 16121.25 | 11996.40 | 11991.60 | 12364.83 | 10518.83 | |
| Ganglioside GA2 (d18:1/9Z-18:1) | 57100.50 | 16261.33 | 33180.00 | 29951.50 | 87835.60 | 39193.20 | 53488.67 | 58121.83 | |
| Ginkgolic Acid | 42825.50 | 9712.67 | 1.00 | 28448.25 | 14621.40 | 11748.40 | 7633.00 | 40802.67 | |
| Glu Ser | 52111.50 | 34191.33 | 29386.50 | 18980.25 | 24791.20 | 35666.80 | 3640.83 | 2081.50 | |
| Glutaric acid | 9005.75 | 52642.67 | 34640.25 | 62374.00 | 30069.40 | 49659.60 | 25447.50 | 32512.50 | |
| Goniothalenol - 2.1228929 | 82883.50 | 83268.67 | 77288.25 | 104600.50 | 19073.00 | 51594.60 | 155058.83 | 44076.33 | |
| Guanosine | 1.00 | 1.00 | 9758.50 | 6758.00 | 6081.60 | 4990.20 | 12817.33 | 10228.00 | |
| GW 409544 | 11175.00 | 5941.00 | 1.00 | 1948.00 | 3670.80 | 5589.00 | 1724.17 | 4782.00 | |
| Gymnodimine | 22578.25 | 17566.33 | 16166.25 | 22128.50 | 16229.00 | 22570.20 | 16579.17 | 16325.83 | |
| Gymnodimine - 6.775499 | 142350.75 | 92195.67 | 89622.00 | 150079.25 | 106109.20 | 99762.20 | 97938.17 | 88430.83 | |
| Halfordinol | 1.00 | 12092.00 | 514.75 | 2128.75 | 1.00 | 11450.00 | 566.33 | 1.00 | |
| Hellebrigenin 3-acetate | 44613.50 | 46310.00 | 44591.00 | 54939.50 | 45514.00 | 47525.40 | 41072.50 | 51841.00 | |
| Hexadecanedioic acid | 29202.25 | 10652.00 | 10388.25 | 11112.50 | 36811.60 | 10711.20 | 10413.00 | 13880.83 | |
| Hippuric acid | 138615.00 | 20034.33 | 3529353.25 | 187970.75 | 1.00 | 79000.40 | 6900000.67 | 3652.33 | |
| His His Glu | 54073.00 | 49474.67 | 14598.25 | 25495.75 | 18023.60 | 53259.60 | 1.00 | 27322.83 | |
| His-Phe-OH | 1538.25 | 871.67 | 4484.50 | 1.00 | 1473.60 | 768.60 | 2288.50 | 4660.83 | |
| Homocysteinesulfinic acid | 89910.50 | 100026.67 | 64430.00 | 97351.25 | 67667.40 | 92512.80 | 71109.50 | 93707.33 | |
| Homoserine lactone | 32581.50 | 36789.33 | 26962.00 | 10502.25 | 27477.20 | 35056.40 | 35665.00 | 34364.00 | |
| Homoveratric acid | 1564.50 | 12392.67 | 1.00 | 1.00 | 4209.20 | 9906.40 | 1852.67 | 766.33 | |
| HR1917 | 1825.75 | 5240.33 | 892.00 | 1.00 | 401.40 | 5412.20 | 2252.00 | 1.00 | |
| Hydroquinone | 33650.75 | 100109.33 | 52163.75 | 67326.25 | 1.00 | 108155.40 | 47558.33 | 15829.33 | |
| Hydroquinone - 0.8294034 | 6797.00 | 17306.00 | 7269.75 | 8191.50 | 1.00 | 19100.60 | 5063.00 | 7393.00 | |
| ?-Hydroxyisovaleric acid | 60815.25 | 76496.33 | 11431.50 | 26756.50 | 1.00 | 56556.40 | 43108.17 | 8507.17 | |
| ?-Hydroxypyruvic acid | 6033.00 | 5166.67 | 2321.75 | 1.00 | 2679.40 | 5043.20 | 10905.00 | 1.00 | |
| Hymenoflorin | 10225.50 | 18319.33 | 14356.75 | 15547.25 | 2643.40 | 17678.60 | 22519.67 | 24048.33 | |
| Hymenoxon | 7296.25 | 6921.00 | 12810.25 | 6326.50 | 29375.00 | 8016.20 | 8355.33 | 2969.67 | |
| IAA-94 | 2262.50 | 1.00 | 2409.00 | 4126.25 | 852.80 | 1609.40 | 554.33 | 507.33 | |
| Icaritin 3-rhamnoside | 1.00 | 1.00 | 1059.50 | 3380.50 | 4004.60 | 1.00 | 549.17 | 2505.83 | |
| Ile Arg Ile | 24020.50 | 27212.00 | 3687.00 | 6054.75 | 9493.40 | 23238.40 | 11629.33 | 7990.17 | |
| Indole | 2396.00 | 17419.00 | 1.00 | 4489.25 | 5073.20 | 8851.40 | 3769.17 | 1.00 | |
| Indole-3-carboxaldehyde | 1252113.00 | 3008043.00 | 1244783.00 | 991131.25 | 881849.40 | 2757841.80 | 1363721.17 | 906865.83 | |
| Indole - 5.8447213 | 26932.50 | 48509.33 | 20799.75 | 35616.25 | 22328.40 | 44709.60 | 27676.67 | 33386.50 | |
| Ingenol 3,20-dibenzoate | 19572.25 | 10249.00 | 10741.25 | 13957.50 | 12398.40 | 10748.80 | 5928.33 | 9823.83 | |
| Isodomedin - 1.2324258 | 53245.50 | 134149.33 | 46817.50 | 101419.25 | 47059.80 | 113062.40 | 80256.33 | 85799.33 | |
| Isovaleric acid | 3161.50 | 14531.00 | 18039.75 | 958.25 | 1456.00 | 20015.80 | 10439.00 | 1.00 | |
| Isovalerylsarcosine | 111001.25 | 39592.67 | 80413.00 | 366720.50 | 58899.60 | 52373.40 | 56472.17 | 175366.83 | |
| Istamycin A3 | 19133.50 | 1.00 | 11226.25 | 5697.75 | 9122.80 | 5064.20 | 9024.83 | 802.50 | |
| Jasmonic acid | 47962.00 | 5187.67 | 108760.50 | 109958.75 | 119755.20 | 14436.60 | 44369.33 | 10428.83 | |
| Jasmonic acid - 1.1212678 | 29474.25 | 1.00 | 40997.50 | 39764.25 | 65651.60 | 5194.00 | 21679.17 | 15978.00 | |
| Kanamycin | 25167.25 | 10415.00 | 22916.75 | 17525.25 | 21866.00 | 17046.80 | 23409.33 | 21214.33 | |
| KAPA | 26346.25 | 28324.67 | 22652.25 | 20003.25 | 21636.40 | 26809.40 | 27628.00 | 19600.67 | |
| KAPA - 2.9342902 | 3677.25 | 1.00 | 1.00 | 32220.75 | 1.00 | 3732.20 | 1.00 | 13547.33 | |
| Kikkanol D | 14351.75 | 5701.33 | 19389.00 | 23524.50 | 10021.40 | 8822.20 | 14142.67 | 29488.00 | |
| Lactaldehyde | 31215.00 | 63430.67 | 38247.75 | 59898.75 | 27228.40 | 41822.80 | 32324.33 | 33611.00 | |
| Lactaldehyde - 2.1190975 | 10412.50 | 14167.00 | 2192.00 | 12317.25 | 6818.80 | 18426.60 | 6867.33 | 5081.17 | |
| Lactic acid | 1102967.25 | 562892.33 | 1.00 | 750532.25 | 1.00 | 1246380.20 | 150630.50 | 218101.67 | |
| L-Ascorbic acid | 25932.25 | 23870.00 | 19003.25 | 22157.75 | 24530.20 | 19978.20 | 23799.67 | 21070.33 | |
| Lauryl hydrogen sulfate | 82423.75 | 166882.67 | 108793.00 | 143936.50 | 137735.40 | 343626.20 | 75095.83 | 94629.83 | |
| Lauryl hydrogen sulfate - 2.119083 | 46239.50 | 52700.33 | 42647.50 | 62307.50 | 40409.20 | 47036.20 | 45162.83 | 28737.00 | |
| Lesquerolic acid | 4140.50 | 1.00 | 9609.50 | 14296.50 | 17394.00 | 1493.40 | 4590.17 | 4393.00 | |
| L-Glutamic acid n-butyl ester | 4449.00 | 17732.67 | 3301.00 | 13943.75 | 1.00 | 14518.40 | 669.83 | 1.00 | |
| L-Homotyrosine | 12000.25 | 17378.67 | 24417.00 | 10130.25 | 5090.80 | 22262.80 | 11233.50 | 15653.83 | |
| ?-Linolenic Acid | 74129.50 | 47062.00 | 3799.25 | 44575.75 | 37661.60 | 39008.00 | 20607.83 | 60348.67 | |
| L-Isoleucine | 41600.00 | 56085.00 | 34728.25 | 55422.25 | 46850.80 | 51356.00 | 34040.83 | 42092.83 | |
| L-Leucine | 77567.25 | 118826.67 | 66336.00 | 118777.00 | 86306.20 | 96222.00 | 55339.17 | 70320.83 | |
| L-Methionine | 13506.25 | 49087.33 | 29991.25 | 21993.25 | 9298.20 | 41534.80 | 27094.00 | 20820.50 | |
| lokundjoside | 4783.75 | 7052.67 | 7107.50 | 1.00 | 1.00 | 12522.60 | 10405.67 | 4597.00 | |
| Losartan | 2918.25 | 10937.00 | 5223.50 | 4500.00 | 617.60 | 8689.00 | 2311.50 | 6674.33 | |
| Luciduline | 5568.00 | 5737.67 | 6077.25 | 8942.25 | 5410.40 | 5920.20 | 5800.50 | 6349.33 | |
| LysoPE(0:0/18:0) | 65103.00 | 50336.00 | 52516.25 | 64493.00 | 42869.40 | 55892.20 | 57097.33 | 56725.17 | |
| LysoPE(0:0/18:0) - 6.735483 | 68167.25 | 49386.33 | 51075.25 | 62517.75 | 41850.00 | 48674.40 | 50160.83 | 44551.17 | |
| LysoPE(0:0/18:0) - 6.834247 | 784647.25 | 611116.33 | 632781.75 | 760766.75 | 513330.20 | 639762.20 | 630751.83 | 569768.50 | |
| LysoPE(0:0/18:1(11Z)) | 54210.25 | 34527.67 | 23335.25 | 40606.25 | 31064.00 | 39633.60 | 25922.67 | 22445.33 | |
| LysoPE(0:0/18:2(9Z,12Z)) | 171350.50 | 82004.67 | 36497.50 | 83062.00 | 69236.20 | 79441.00 | 39037.33 | 50944.33 | |
| LysoPE(0:0/20:0) | 339405.25 | 262736.33 | 266702.50 | 309483.50 | 324845.80 | 286840.20 | 229285.33 | 240592.33 | |
| LysoPE(0:0/20:2(11Z,14Z)) | 65341.25 | 74590.33 | 40632.25 | 53635.25 | 39527.60 | 88898.20 | 53407.00 | 50177.33 | |
| m-Cresol | 15301.75 | 22193.67 | 17730.75 | 36996.50 | 15888.80 | 16728.80 | 13467.17 | 4782.83 | |
| meso-Tartaric acid | 12658.50 | 6743.33 | 8902.75 | 11930.25 | 11009.00 | 12879.20 | 5356.33 | 19549.00 | |
| Methanesulfonic acid | 28836.25 | 22741.00 | 21958.50 | 23522.75 | 23480.20 | 23978.00 | 11476.00 | 6311.17 | |
| Methitural | 55934.25 | 81254.67 | 94082.75 | 71676.75 | 60228.20 | 72312.00 | 70951.50 | 54831.67 | |
| methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2... | 9448.50 | 10901.00 | 8035.75 | 16763.75 | 16166.00 | 17116.00 | 3857.33 | 11667.50 | |
| Methylglyoxal | 63938.00 | 1.00 | 89475.25 | 53266.50 | 87794.20 | 26152.00 | 72834.17 | 49049.33 | |
| Methyl jasmonate | 40380.75 | 20463.67 | 44795.50 | 30779.25 | 73115.80 | 11743.60 | 34267.83 | 20503.50 | |
| Methyl N-(a-methylbutyryl)glycine | 71894.75 | 35784.67 | 98532.75 | 101943.25 | 85829.40 | 77644.00 | 75095.33 | 51215.67 | |
| Metsulfovax | 12645.25 | 87723.00 | 34257.50 | 41941.50 | 48537.20 | 53387.00 | 40898.00 | 40438.33 | |
| MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0) | 14507.50 | 21564.33 | 12012.00 | 24516.00 | 13299.00 | 20436.80 | 16003.00 | 17410.67 | |
| Mibolerone | 236534.50 | 150519.00 | 23776.75 | 89841.50 | 16771.80 | 116684.80 | 59358.33 | 125835.00 | |
| MID42332:(22R)-1?,22,25-trihydroxy-26,27-dimethyl-23,24-tetr... | 17279.50 | 79873.00 | 25186.25 | 16538.50 | 1.00 | 80436.80 | 18543.50 | 10565.50 | |
| MID42391:26,27-diethyl-1?,25-dihydroxy-20,21-didehydro-23-ox... | 7368.50 | 5401.67 | 1.00 | 4622.25 | 1933.40 | 1541.40 | 1.00 | 2350.00 | |
| Minosaminomycin | 1.00 | 1.00 | 4737.25 | 7646.25 | 1.00 | 15574.00 | 3250.33 | 3826.17 | |
| Monomethyl sulfate | 11400.75 | 5543.33 | 12601.00 | 20083.00 | 6736.60 | 10166.20 | 13401.00 | 14435.50 | |
| N2-Acetyl-L-aminoadipate | 7481.25 | 14530.67 | 2631.25 | 3940.50 | 1417.40 | 12625.40 | 6034.67 | 1.00 | |
| N4-Phosphoagmatine | 10212.25 | 5128.00 | 12572.75 | 8184.25 | 4019.00 | 8391.80 | 7583.83 | 3729.17 | |
| N-acetyl-2-carboxy Benzenesulfonamide | 16928.50 | 17450.67 | 13293.75 | 10590.75 | 1.00 | 14364.40 | 9893.00 | 365.83 | |
| N-Acetyl-DL-methionine | 16103.00 | 32445.00 | 7368.25 | 11142.00 | 1.00 | 37260.00 | 7097.33 | 6778.00 | |
| N-Acetyl-D-tryptophan | 38427.25 | 84163.67 | 34486.00 | 41248.75 | 17886.80 | 109365.60 | 37033.33 | 52236.83 | |
| N-Acetylgalactosaminate | 549.50 | 1678.67 | 1.00 | 1.00 | 1658.40 | 4574.80 | 1264.00 | 1160.67 | |
| N-Acetyl-leu-leu-leu-tyr-amide | 12182.75 | 1100.00 | 35075.00 | 3808.75 | 57495.40 | 8556.40 | 27974.83 | 2991.17 | |
| N-Acetyl-L-phenylalanine | 31581.75 | 62238.33 | 27411.50 | 53363.25 | 19893.40 | 58232.60 | 35064.33 | 21842.67 | |
| Nanchangmycin | 2356.75 | 3267.67 | 1.00 | 1.00 | 1.00 | 5784.20 | 1.00 | 2285.00 | |
| Naringin | 3088.00 | 8896.67 | 6109.50 | 9657.50 | 1972.40 | 10072.80 | 6149.67 | 2883.67 | |
| Nemertelline | 7793.75 | 2037.33 | 2319.25 | 1796.50 | 747.20 | 907.00 | 5432.50 | 6754.33 | |
| N-Formylmethionine | 2315.00 | 4371.67 | 1101.00 | 7905.00 | 1140.20 | 8320.60 | 2098.17 | 869.83 | |
| Nicotinamide N-oxide | 18097.25 | 23142.67 | 33229.50 | 36743.50 | 58354.80 | 26296.80 | 34879.67 | 17474.50 | |
| Nigakilactone B | 34912.00 | 2998.67 | 4286.25 | 7043.25 | 13375.40 | 3712.00 | 26218.17 | 5715.00 | |
| Nitrofurazone | 21053.25 | 13906.33 | 12668.50 | 15250.50 | 21634.00 | 17772.20 | 14217.83 | 8534.67 | |
| N-linoleoyl taurine | 951.00 | 680.67 | 1.00 | 6052.75 | 1717.20 | 3923.00 | 441.00 | 2602.67 | |
| N,N-Dihydroxy-L-tyrosine | 1807.00 | 2214.00 | 1.00 | 4978.75 | 1473.80 | 3992.60 | 1782.83 | 3077.67 | |
| Nocardicin D | 11197.75 | 1.00 | 9816.00 | 15450.25 | 12241.20 | 5029.00 | 8498.17 | 976.17 | |
| N-octanoyl-L-Homoserine lactone | 8663.00 | 1.00 | 1971.75 | 11876.25 | 4917.00 | 3388.40 | 6291.00 | 9427.17 | |
| Norwogonin | 3660.50 | 20771.00 | 1.00 | 36151.25 | 1.00 | 29004.40 | 4891.17 | 58927.00 | |
| NVP-BEZ235 | 7673.25 | 1.00 | 1.00 | 4296.50 | 3342.80 | 1.00 | 346.33 | 5592.00 | |
| o-Coumaric acid | 3062.50 | 38606.33 | 13904.25 | 12537.50 | 1.00 | 33731.60 | 11776.50 | 6527.00 | |
| Oleandolide | 62631.25 | 15180.00 | 146625.25 | 254657.00 | 108157.80 | 44009.40 | 89432.83 | 279564.00 | |
| Olprinone | 8789.00 | 17359.67 | 4872.75 | 15879.25 | 4542.40 | 17079.40 | 3914.83 | 4209.00 | |
| Orotic acid | 5340.75 | 12791.00 | 6929.25 | 6433.00 | 4526.80 | 11933.60 | 5351.00 | 6304.17 | |
| Oxidized Watasenia luciferin | 23357.25 | 30784.00 | 4191.00 | 13556.75 | 22605.80 | 47241.20 | 47204.17 | 19168.83 | |
| Oxolinic Acid | 1491.00 | 15225.33 | 5897.25 | 5062.75 | 1705.60 | 15062.20 | 4945.17 | 4428.67 | |
| Oxolinic Acid - 6.190845 | 1.00 | 6374.00 | 1.00 | 2591.75 | 1.00 | 410.20 | 1076.17 | 1.00 | |
| PA(20:2(11Z,14Z)/0:0) | 13463.25 | 7155.00 | 13231.75 | 10131.00 | 9517.20 | 8763.00 | 12754.50 | 14404.17 | |
| Palmitic acid | 167126.50 | 78166.33 | 96871.50 | 133889.75 | 102194.00 | 100605.80 | 91347.17 | 141919.83 | |
| Palmitic acid - 6.8347077 | 36410.25 | 32650.33 | 32485.00 | 36863.00 | 26844.40 | 31343.80 | 31709.00 | 27294.33 | |
| Palmitoyl glucuronide | 14859.50 | 9712.00 | 17224.75 | 10574.75 | 14363.00 | 15243.20 | 15023.83 | 14528.33 | |
| Pantoic acid | 1407.25 | 3639.33 | 7668.75 | 5574.00 | 1009.40 | 1.00 | 831.00 | 2828.50 | |
| Pantothenic Acid | 156642.00 | 189572.67 | 120860.00 | 182051.25 | 102786.80 | 179182.60 | 130224.00 | 95347.17 | |
| p-Benzosemiquinone | 1.00 | 3420.67 | 1810.75 | 1473.00 | 1.00 | 3881.80 | 590.67 | 1.00 | |
| PD 169316 | 967.00 | 1.00 | 11258.50 | 6224.50 | 38304.60 | 1.00 | 7361.17 | 2463.17 | |
| PE(16:0/0:0) | 86622.25 | 70609.67 | 69756.00 | 82925.25 | 43901.40 | 75426.80 | 74621.00 | 63969.17 | |
| PE(20:2(11Z,14Z)/18:2(9Z,12Z)) | 49147.50 | 78971.67 | 16472.25 | 32538.75 | 25693.60 | 57121.00 | 41849.50 | 70772.67 | |
| PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)) | 112782.50 | 223580.33 | 28511.25 | 79126.00 | 29284.20 | 198643.00 | 95880.17 | 153002.17 | |
| PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) | 33581.00 | 28489.67 | 644.00 | 15270.25 | 12654.20 | 24244.00 | 23198.33 | 22970.50 | |
| PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) | 30619.25 | 49978.00 | 5914.50 | 10778.00 | 6663.80 | 40041.40 | 26828.67 | 52758.50 | |
| PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) | 14237.25 | 31552.33 | 2409.75 | 10805.00 | 2900.20 | 29589.00 | 15924.83 | 21610.83 | |
| PE(20:3(8Z,11Z,14Z)/P-18:0) | 5088.00 | 6530.00 | 2185.50 | 1.00 | 5441.00 | 7241.20 | 1176.50 | 3135.50 | |
| PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z)) | 25119.75 | 48920.67 | 5724.00 | 5686.50 | 10592.20 | 26033.00 | 14533.33 | 16065.00 | |
| PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) | 19228.00 | 30319.33 | 2454.75 | 1.00 | 7788.80 | 8213.80 | 9700.00 | 11829.50 | |
| Penicilloic G acid | 1.00 | 17837.33 | 1030.25 | 4441.25 | 1.00 | 10761.20 | 1900.17 | 1894.00 | |
| PE(O-20:0/22:0) | 2388.00 | 2858.00 | 5544.00 | 6115.75 | 3368.40 | 7163.20 | 4195.17 | 3626.67 | |
| PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 1.00 | 3390.33 | 1.00 | 735.50 | 780.20 | 4753.80 | 1.00 | 327.50 | |
| Perfluorooctanesulfonic acid | 606391.50 | 483248.67 | 321479.50 | 372674.50 | 60726.60 | 425563.80 | 446930.17 | 295937.17 | |
| Petroselinic acid | 567867.50 | 236804.67 | 234871.25 | 391915.25 | 490737.20 | 240183.80 | 208865.50 | 502189.00 | |
| PGE3 1,15-lactone | 5665.00 | 1952.67 | 3456.75 | 3862.25 | 13269.80 | 2446.40 | 12779.00 | 3687.17 | |
| PGF2? | 21410.50 | 1522.00 | 11806.75 | 36680.50 | 28027.00 | 4293.60 | 9239.17 | 12731.00 | |
| Phe Lys His | 1.00 | 2103.33 | 1.00 | 10216.25 | 1.00 | 5602.40 | 1.00 | 9258.17 | |
| Phenol | 32818.50 | 118419.00 | 29405.00 | 88448.25 | 39238.60 | 60375.00 | 36254.50 | 74682.67 | |
| Phenylacetic acid | 2482.25 | 4286.67 | 1.00 | 9450.75 | 1.00 | 8840.80 | 3200.33 | 6046.17 | |
| Phenylacetic acid - 2.5097709 | 1775.75 | 9626.00 | 1.00 | 4702.00 | 1198.20 | 11047.40 | 1.00 | 1.00 | |
| Phenyl sulfate | 200578.00 | 720884.67 | 317819.25 | 531196.25 | 229408.00 | 387567.80 | 214034.83 | 436547.67 | |
| PI(18:1(11Z)/16:1(9Z)) | 69209.50 | 84656.00 | 42459.75 | 37181.50 | 26913.00 | 58795.60 | 42523.83 | 57966.67 | |
| PI(18:1(9Z)/18:1(9Z)) | 80488.00 | 114657.00 | 54264.50 | 49180.75 | 48563.40 | 59465.40 | 44891.83 | 63287.00 | |
| PI(18:1(9Z)/18:2(9Z,12Z)) | 28284.25 | 35801.00 | 15743.50 | 10496.75 | 11601.20 | 32600.60 | 12215.50 | 3250.33 | |
| PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) | 46148.75 | 60896.33 | 6363.25 | 29150.75 | 975.60 | 53526.20 | 22319.33 | 51674.50 | |
| PI(20:3(5Z,8Z,11Z)/18:1(11Z)) | 404666.00 | 502939.00 | 169063.50 | 231483.25 | 186019.80 | 424596.60 | 336006.17 | 637895.17 | |
| PI(20:4(8Z,11Z,14Z,17Z)/16:0) | 77435.75 | 109032.33 | 23837.50 | 53642.75 | 19334.20 | 88268.20 | 51748.17 | 104768.00 | |
| PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 861.75 | 4862.33 | 1745.75 | 1263.25 | 1.00 | 1024.20 | 2431.50 | 402.67 | |
| PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) | 11895.50 | 18097.33 | 2765.75 | 4650.50 | 1189.60 | 17062.60 | 9406.17 | 14270.17 | |
| Polhovolide | 4988.25 | 3150.67 | 1.00 | 1.00 | 1.00 | 7624.80 | 1471.50 | 1032.17 | |
| Portulal | 22029.50 | 10613.33 | 17448.00 | 22511.00 | 59695.20 | 15255.00 | 26405.50 | 42334.50 | |
| Propionic acid | 99551.25 | 154941.33 | 68496.75 | 121849.00 | 83263.20 | 192794.20 | 56537.00 | 83890.50 | |
| Prostaglandin D1 Alcohol | 18738.50 | 1.00 | 43993.00 | 30477.75 | 10951.20 | 1.00 | 32109.67 | 17853.83 | |
| PS(12:0/22:0) | 29493.75 | 6597.33 | 11208.00 | 8855.75 | 8021.80 | 9077.20 | 56746.33 | 18281.17 | |
| PS(18:0/20:2(11Z,14Z)) | 603.25 | 1.00 | 12663.00 | 12547.00 | 3613.40 | 1.00 | 1.00 | 1242.17 | |
| PS(18:1(9Z)/16:1(9Z)) | 3463.50 | 7011.33 | 8133.75 | 4771.75 | 11288.20 | 3611.20 | 25558.33 | 14455.33 | |
| PS(19:0/0:0) | 148184.75 | 83518.67 | 77042.25 | 127832.75 | 70506.40 | 81303.00 | 91409.17 | 67763.17 | |
| PS(19:0/16:0) | 7868.00 | 10449.00 | 5271.25 | 16902.50 | 10158.00 | 6536.60 | 5318.50 | 2342.67 | |
| PS(19:0/16:1(9Z)) | 1342.25 | 1.00 | 14656.00 | 1.00 | 9804.40 | 956.20 | 5527.00 | 1629.00 | |
| PS(21:0/20:4(5Z,8Z,11Z,14Z)) | 39319.00 | 145517.00 | 19970.75 | 165320.75 | 82928.60 | 203743.80 | 14011.17 | 15200.67 | |
| Pyridafenthion | 22794.50 | 46732.67 | 20214.25 | 31232.75 | 17690.60 | 39931.80 | 21470.33 | 32570.33 | |
| Pyroglutamic acid | 27344.00 | 1.00 | 41001.50 | 39286.75 | 33638.00 | 45979.80 | 35623.33 | 44948.33 | |
| Pyroglutamic acid - 6.2167535 | 25203.00 | 70957.67 | 13173.25 | 16580.25 | 22839.20 | 15019.00 | 14364.83 | 9809.67 | |
| Ramipril | 3896.25 | 1184.67 | 1.00 | 939.00 | 769.80 | 3288.40 | 3328.33 | 1529.67 | |
| Rhizocticin A | 714.00 | 1.00 | 710.75 | 1303.25 | 547.20 | 2910.20 | 332.50 | 1781.17 | |
| Ribonic acid | 22723.50 | 18100.67 | 7238.75 | 26377.75 | 17986.40 | 28013.60 | 8373.00 | 37339.67 | |
| Ricinoleic acid | 222407.50 | 94120.67 | 190395.75 | 263646.75 | 274143.80 | 100865.80 | 132109.00 | 185610.50 | |
| Ripazepam | 1.00 | 2655.67 | 1.00 | 5554.75 | 757.60 | 3887.40 | 1676.83 | 6020.50 | |
| Rishitin | 25309.75 | 18532.00 | 12301.00 | 20181.50 | 18056.60 | 17599.40 | 14467.83 | 24517.00 | |
| S-(2,4-Dinitrophenyl)glutathione | 754.00 | 14806.67 | 3094.00 | 646.00 | 1.00 | 14185.00 | 1.00 | 1.00 | |
| Salannin | 3762.75 | 2368.67 | 1.00 | 1467.00 | 453.80 | 3403.20 | 436.50 | 927.67 | |
| Sarcosine | 20184.25 | 22568.67 | 18339.25 | 21015.25 | 23885.20 | 18788.60 | 15929.00 | 10771.50 | |
| S-(Carboxymethyl)-L-cysteine | 117830.50 | 25147.33 | 95125.00 | 121859.25 | 141513.60 | 39526.40 | 104903.50 | 84095.00 | |
| Scarlet Red | 45943.50 | 14043.67 | 10549.75 | 31911.00 | 29128.40 | 26931.00 | 29521.17 | 36770.17 | |
| Sedoheptulose | 55197.00 | 34984.67 | 42736.25 | 57943.25 | 59965.60 | 39113.60 | 30795.67 | 18696.17 | |
| Sinulobatin A | 60041.75 | 13551.33 | 10796.00 | 62620.75 | 44021.20 | 33671.60 | 59314.50 | 52812.83 | |
| Spirodilactone | 186927.50 | 56996.33 | 102943.00 | 159965.50 | 72327.60 | 108435.20 | 62786.83 | 76341.50 | |
| Spironolactone | 1.00 | 8301.00 | 1.00 | 4184.50 | 1.00 | 1363.60 | 1.00 | 528.83 | |
| Stearic acid | 123732.25 | 49081.67 | 75445.75 | 115608.25 | 97000.20 | 88111.00 | 69604.00 | 126837.33 | |
| Stearic acid - 6.7605224 | 22058.50 | 15941.33 | 17839.50 | 20033.25 | 18432.80 | 16988.60 | 16983.67 | 10985.50 | |
| Succinic acid | 353069.00 | 520067.67 | 219538.50 | 427619.75 | 283748.00 | 673978.80 | 206900.50 | 291560.83 | |
| Succinic acid - 2.118289 | 39729.00 | 79334.33 | 31016.75 | 55706.00 | 40752.40 | 82926.80 | 35647.17 | 23338.33 | |
| Succinic anhydride | 21474.25 | 1.00 | 14877.00 | 10339.00 | 1.00 | 13533.00 | 6304.83 | 14288.00 | |
| Succinic anhydride - 5.8640885 | 21027.00 | 1.00 | 1.00 | 5405.75 | 1.00 | 1.00 | 1.00 | 7758.17 | |
| Sugetriol | 11485.25 | 8455.67 | 9860.50 | 18172.50 | 16309.00 | 15097.00 | 12157.83 | 10819.33 | |
| Sulfolithocholylglycine | 63311.50 | 17759.33 | 148496.00 | 492677.75 | 463907.00 | 12275.20 | 360285.50 | 99936.17 | |
| Sulfolithocholylglycine - 2.9932208 | 1.00 | 39109.00 | 1.00 | 875877.25 | 1.00 | 384692.40 | 1.00 | 2433.00 | |
| Sulfolithocholylglycine - 4.0221667 | 8193.50 | 9541.67 | 1.00 | 441967.00 | 16338.80 | 124579.40 | 109844.67 | 32388.00 | |
| Taurine | 1366117.25 | 1078052.33 | 1061128.00 | 1435450.25 | 1307675.80 | 1103662.80 | 1026213.50 | 1204945.67 | |
| Taurochenodeoxycholic acid | 10188.25 | 1.00 | 9075.25 | 5695.75 | 15496.20 | 23757.40 | 12027.50 | 13960.33 | |
| Taurochenodeoxycholic acid - 3.6667702 | 13941.00 | 16272.67 | 3424.00 | 183025.25 | 171356.40 | 203277.60 | 81085.50 | 41681.33 | |
| Taurohyocholic acid | 38355.50 | 42440.00 | 13003.25 | 1915382.00 | 1625840.40 | 1186224.80 | 337540.17 | 18769.50 | |
| Taurohyocholic acid - 4.0034986 | 8944.75 | 13812.67 | 373.50 | 301894.00 | 258649.60 | 190114.20 | 60552.17 | 22691.83 | |
| Taurohyocholic acid - 4.322024 | 12457.00 | 64260.00 | 6011.25 | 780010.25 | 265494.40 | 462816.20 | 162501.33 | 138514.17 | |
| Taurohyocholic acid - 4.592833 | 11435.25 | 13226.67 | 3575.25 | 1777131.75 | 220708.20 | 30554.00 | 11182.83 | 87026.00 | |
| Taurohyocholic acid - 4.759052 | 8447.25 | 9816.00 | 1.00 | 97800.50 | 55313.20 | 59459.00 | 14065.33 | 6139.33 | |
| Tauropine | 41905.25 | 60776.67 | 43719.75 | 57596.00 | 33953.80 | 52514.20 | 38950.83 | 22215.67 | |
| Teniposide | 18463.00 | 15232.00 | 18014.50 | 26631.50 | 13901.60 | 15696.80 | 13437.50 | 17688.33 | |
| Tetradecanedioic acid | 7621.75 | 8020.00 | 13779.75 | 22818.75 | 22003.20 | 12491.00 | 12721.83 | 15297.00 | |
| Tetradecanedioic acid - 1.2295798 | 72336.50 | 8385.67 | 53398.50 | 62727.00 | 22102.60 | 19969.80 | 40799.00 | 88709.33 | |
| Tetradecyl sulfate | 27190.75 | 74446.33 | 64996.50 | 79182.75 | 58054.80 | 97988.40 | 41537.50 | 46416.00 | |
| Tetrahydroneopterin | 1350.00 | 7911.00 | 1.00 | 3761.50 | 1.00 | 6115.60 | 851.17 | 929.67 | |
| Thr-Asp-OH | 923.75 | 2226.67 | 705.50 | 3452.00 | 1276.00 | 4417.60 | 2332.50 | 6505.83 | |
| Thr Gly Thr | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 3834.80 | 3041.67 | 16794.50 | |
| Thymidine | 109911.50 | 169105.33 | 192634.75 | 157488.75 | 127088.20 | 140289.80 | 163339.83 | 121415.00 | |
| Topotecan | 2637.50 | 1.00 | 3812.25 | 2266.75 | 2225.40 | 1000.20 | 9052.17 | 1.00 | |
| Totarol-19-Carboxylic Acid | 40228.00 | 10492.00 | 15429.75 | 20997.25 | 12166.80 | 13142.60 | 25923.17 | 5158.33 | |
| trans-9-palmitoleic acid | 73579.25 | 32238.00 | 27577.00 | 43973.75 | 41765.80 | 27629.40 | 37105.00 | 53030.50 | |
| Tricetin 7,3^-diglucuronide | 6046.50 | 2169.00 | 2616.75 | 18991.50 | 1.00 | 4373.80 | 308.33 | 5559.83 | |
| Tropicamide | 6137.50 | 12070.00 | 5482.50 | 10242.00 | 905.20 | 8550.40 | 5542.33 | 448.00 | |
| Trp Thr Tyr | 1242.00 | 1.00 | 1698.75 | 4467.75 | 3112.20 | 1081.40 | 1057.67 | 353.83 | |
| Tryptophan | 195303.50 | 330658.67 | 209445.25 | 264904.50 | 174966.60 | 303824.60 | 205235.50 | 242251.33 | |
| Tuberonic acid glucoside | 1.00 | 13119.67 | 25441.75 | 1.00 | 1.00 | 19526.40 | 13898.83 | 1.00 | |
| Uracil | 137088.75 | 77488.33 | 67608.75 | 92742.50 | 84401.80 | 104759.60 | 60355.67 | 68883.33 | |
| Uracil - 3.6865609 | 21074.50 | 33878.67 | 22157.25 | 29043.00 | 26049.20 | 35485.20 | 16353.83 | 21097.00 | |
| Uric acid | 17321.25 | 4328.67 | 1.00 | 1.00 | 2115.80 | 7413.00 | 1.00 | 5718.83 | |
| Uridine | 535237.25 | 299431.33 | 334583.50 | 368829.25 | 383800.40 | 305655.60 | 261712.17 | 302243.33 | |
| Uridine - 2.2936547 | 416077.50 | 533538.67 | 303897.75 | 644870.25 | 307461.80 | 472781.60 | 289447.67 | 477349.67 | |
| Urocanic acid | 5991.25 | 19252.00 | 24122.25 | 8096.75 | 10663.20 | 13331.60 | 25013.67 | 12078.33 | |
| Valine | 35103.00 | 64857.33 | 41751.00 | 62994.25 | 48425.60 | 34772.00 | 36350.67 | 39546.83 | |
| Valnemulin | 2627.25 | 13778.33 | 3105.00 | 2920.00 | 1.00 | 6740.80 | 542.50 | 5935.83 | |
| Vernolic acid | 887779.25 | 102372.33 | 685097.75 | 735220.00 | 1077929.60 | 206395.80 | 508070.17 | 370323.83 | |
| Vidarabine | 4389.50 | 1.00 | 1897.00 | 5056.50 | 4428.40 | 6015.80 | 9744.17 | 36623.50 | |
| Xanthine | 209953.75 | 1.00 | 894416.50 | 1276862.00 | 211943.00 | 331349.00 | 704408.50 | 516942.67 | |
| Xanthosine | 68286.00 | 12474.00 | 29550.25 | 37977.75 | 24063.80 | 31126.20 | 9840.83 | 17031.33 | |
| Xanthoxic acid | 1.00 | 17206.33 | 16565.75 | 27412.25 | 98177.40 | 28987.40 | 16029.50 | 13277.67 | |
| Xanthoxin | 66747.25 | 58744.67 | 82191.25 | 78387.75 | 83782.00 | 54993.00 | 66176.33 | 63966.67 | |
| Yellow AB | 1.00 | 1.00 | 1.00 | 1.00 | 10193.40 | 1.00 | 1.00 | 1.00 |
Factors:
| F1 | Group:CD | Genotype:Irlox |
| F2 | Group:Control | Genotype:IGFR lox |
| F3 | Group:Control | Genotype:Irlox |
| F4 | Group:Control | Genotype:IRlox IGFR lox |
| F5 | Group:HFD | Genotype:Irlox |
| F6 | Group:IGFRKO | Genotype:IGFR -/- |
| F7 | Group:IRKO | Genotype:IR -/- |
| F8 | Group:MIGIRKO | Genotype:IR -/- IGFR -/- |
