Data for ST002459
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
|---|---|---|---|---|---|---|---|---|
| 10-Hydroxydecanoic acid | 4523.34 | 11405.50 | 8801.39 | 72000.12 | 77345.61 | 11564.49 | 73177.36 | |
| 11-beta-hydroxyandrosterone | - | - | - | 19123.40 | 6679.68 | 1948.32 | 7433.92 | |
| 12,13-DiHOME | - | - | - | 20113.69 | 19496.28 | 25868.89 | 23351.49 | |
| 12,13-EpOME / 9,10-EpOME | 22572.51 | 24511.59 | 30082.16 | 71137.32 | 127186.47 | 33751.74 | 94546.58 | |
| 13(S)-HODE | - | - | - | 200042.53 | 353613.02 | 17958.46 | 411381.12 | |
| 17beta-dihydroepiandrosterone sulphate | - | - | - | 15314.90 | 12594.56 | 23711.56 | 20341.38 | |
| 18:0-18:2 PC (1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocho... | 44471.51 | 159661.72 | 68449.76 | 6544201.63 | 6295579.02 | 6669762.07 | 6618226.29 | |
| 18:1-18:1 SM | - | 5421.89 | 2021.54 | 1082484.69 | 1230378.89 | 867781.52 | 1043569.31 | |
| 18:2 (Cis) PC (1,2-dilinoleoyl-sn-glycero-3-phosphocholine_D... | 4009.88 | - | - | 2457143.78 | 1385571.09 | 3448796.03 | 2362134.20 | |
| 18:2 PE (1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine) | - | - | - | 78714.72 | 104263.59 | 95177.80 | 177925.07 | |
| 1-Arachidonoylglycerol | - | - | - | 11076.48 | 8374.53 | 9917.80 | 12066.35 | |
| 1H,1H,2H,2H-Perfluorooctane sulfonate | 28013.46 | 24562.72 | 34738.28 | 9978.48 | 6270.55 | 7463.58 | 6975.86 | |
| 1-Hydroxy-2-Naphthoic acid | - | - | - | - | - | 9680.74 | 6225.82 | |
| 1-Linoleoylglycerol_2 | - | - | - | 27939.81 | 36989.64 | 23390.89 | 72615.05 | |
| 1-Oleoyl Lysophosphatidic Acid | 26188.95 | 30985.64 | 22376.50 | 282903.21 | 270631.89 | 92837.78 | 344119.85 | |
| 21-Hydroxypregnenolone | - | - | - | 8835.37 | 11629.93 | 1681.27 | 10577.47 | |
| 2,2^,4,4^-tetrahydroxybenzophenone | - | - | - | 7693.52 | 7479.44 | 16788.17 | 13487.63 | |
| 2,4,6-Trichlorophenol | - | - | - | - | 5802.43 | - | 9947.70 | |
| 2-Hydroxybutyric acid | 8397.02 | 13607.29 | 19884.23 | 155612.39 | 95818.22 | 139538.23 | 132861.24 | |
| 2-Undecanone | - | 7549.44 | 5393.75 | 15717.22 | 18137.65 | 7303.66 | 16962.31 | |
| 3,4-Dihydrox benzoic acid | 2087.35 | 5184.55 | 26296.88 | 17706.13 | 9541.21 | 22195.20 | 20052.70 | |
| 3,5,6-Trichloro-2-pyridinol | - | - | - | 5632.95 | 3551.42 | 4887.79 | 4108.98 | |
| 3-hydroxyanthranilic acid | - | - | - | 18207.33 | 32834.23 | 3040.50 | 22262.80 | |
| 3-Hydroxybenzoic acid | - | - | - | 13804.31 | 3362.39 | 2310.80 | 3434.24 | |
| 3-Hydroxybutyric acid | 13132.98 | 99312.98 | 66822.65 | 254767.11 | 237825.31 | 205850.15 | 244685.26 | |
| 3-Methoxy-4-Hydroxymandelic acid | - | - | - | - | 5581.09 | 6969.27 | 14487.77 | |
| 3-Methoxytyramine | 638557.55 | 533596.89 | 569810.75 | 674423.96 | 669301.65 | 673968.89 | 656008.42 | |
| 3-Methyl-2-Oxovaleric acid | - | - | - | 261211.24 | 102564.21 | 288156.65 | 167136.50 | |
| 4-Aminobenzoic acid / Anthranilic acid | - | - | - | 25355.12 | 32644.29 | 3704.50 | 35714.98 | |
| 4-Hydroxybenzoic acid | - | - | - | 9905.59 | 17743.91 | 6166.92 | 12947.19 | |
| 4-Hydroxybenzophenone | 7367.19 | 8824.68 | 10389.53 | 12715.50 | 15549.68 | 16070.31 | 13936.57 | |
| 4-(Methlynitrosamino)-1-(3-pyridyl)-1-butanol | - | - | - | 45085.28 | 61514.36 | 35745.22 | 36106.36 | |
| 4-methylcatechol | - | 2673.36 | 13480.87 | 5694.53 | 4924.96 | 1848.31 | 6880.74 | |
| 4-Nitrophenol | 39241.68 | 11886.88 | 22781.59 | 67890.71 | 46476.00 | 33972.22 | 113399.68 | |
| 5alpha-androstan-3alpha, 17beta-diol 3-glucosiduronate | - | - | - | 38023.64 | 77666.29 | 18509.66 | 54499.90 | |
| 5beta-Pregnane-3alpha,20alpha-diol glucuronide | - | - | - | 104732.10 | 55389.59 | 110054.56 | 81168.55 | |
| 5-Hydroxyindoleacetic acid | - | - | - | 10516.64 | 7709.59 | 5645.75 | 9409.75 | |
| 6-Carboxyhexanoic acid | - | - | - | 14793.69 | 10829.66 | 4985.06 | 17328.35 | |
| 9,10-DiHOME | - | - | - | 14907.02 | 17130.42 | 16713.33 | 17079.21 | |
| 9S-HODE | - | - | - | 324786.51 | 484544.09 | 27180.72 | 573565.09 | |
| 9S-HpODE/ 13S-HpODE | - | - | - | 15329.48 | 209854.47 | 10956.84 | 156795.07 | |
| Adipic acid / 3-Methylglutaric acid | 9183.46 | 7435.70 | 11689.32 | - | 15074.75 | 2312.96 | 24276.14 | |
| Adrenic Acid | - | - | - | 137852.64 | 86283.30 | 169876.60 | 264824.18 | |
| Alpha- linolenic acid / Gamma-Linolenic acid | - | - | - | 112580.45 | 60931.79 | 195895.10 | 119585.94 | |
| Alpha-Tocotrienol | - | - | - | 13948.05 | 22033.07 | 3297.54 | 70429.70 | |
| Androsterone glucuronide / Etiocholanolone glucuronide | - | - | - | 109894.01 | 45980.19 | 124629.34 | 84387.30 | |
| Arachidic acid | 9008.67 | 52214.07 | 19012.32 | 30094.92 | 54645.60 | 15033.74 | 23768.57 | |
| Arachidonic Acid | - | 2962.30 | - | 1732270.18 | 1210185.10 | 1058803.89 | 3368072.14 | |
| Arachidonoyl PAF C-16 | - | 18123.05 | 8739.17 | 673297.07 | 462388.51 | 908515.85 | 594711.96 | |
| Azelaic acid | 214329.95 | 132781.67 | 194003.63 | 975725.79 | 704840.59 | 153789.70 | 1109787.99 | |
| Behenic acid | 5175.29 | 124149.19 | 6132.27 | 61016.99 | 165738.85 | 5510.89 | 9747.64 | |
| Bilirubin | - | - | - | 209352.27 | 12071.23 | 867881.83 | 28746.66 | |
| Bisphenol A | - | - | - | - | - | - | 95342.76 | |
| Bisphenol F | - | - | - | 7155.79 | 15784.63 | 46258.07 | 33016.48 | |
| Bisphenol S | - | - | - | 69636.07 | 1785285.99 | 2210694.99 | 1180069.67 | |
| Butyl Paraben | 74511.57 | 66943.92 | 97621.08 | 86114.56 | 76803.26 | 102113.16 | 88717.63 | |
| C16 Sphingomyelin (d18:1/16:0) | 11175.37 | 31904.75 | 16397.52 | 8594057.70 | 8284476.09 | 6281277.86 | 7179318.42 | |
| Caprylic acid | 23083.81 | 33276.83 | 27705.60 | 484960.97 | 487715.63 | 50475.12 | 550903.92 | |
| Ceramide d18:1/16:0 | - | - | - | 82890.58 | 127622.79 | 108274.69 | 156137.13 | |
| Ceramide d18:1/18:1 (9z) | - | - | - | 31101.03 | 37326.79 | 42818.34 | 34660.29 | |
| Chenodeoxycholic acid | 22757.04 | 21283.76 | 26771.67 | 95632.86 | 58231.52 | 115496.20 | 86919.49 | |
| Cholesterol | - | - | - | 4910.39 | 8311.33 | 4911.57 | 9763.48 | |
| Cholesterol Sulfate | 67831.84 | 75928.14 | 137386.48 | 4139812.62 | 3290634.65 | 6804488.92 | 5087702.60 | |
| Cholic acid | 3649710.32 | 3359084.80 | 3859873.77 | 5047646.92 | 4025981.55 | 3970149.61 | 3732571.17 | |
| Cis-Resveratrol | - | 106057.43 | 11564.07 | 31478.52 | 95318.23 | 16009.41 | 21010.14 | |
| cis-Vaccenic Acid / Elaidate/ Oleic acid / Petroselinic acid | 47879.13 | 43128.12 | 58892.37 | 2481818.18 | 1540249.17 | 4055714.56 | 3072384.95 | |
| Corticosterone / Cortexolone | - | - | - | 13429.21 | 9290.98 | 8952.11 | 14174.10 | |
| Cortisol | - | - | - | 92349.08 | 53374.46 | 179306.39 | 102371.41 | |
| Cortisone | - | - | - | 32987.98 | 31275.76 | 68766.49 | 49013.13 | |
| Cortolone | - | - | - | 28103.64 | 17007.40 | 19217.55 | 21972.61 | |
| cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl) phthalate... | - | - | - | 53416.26 | 362407.05 | 1287138.72 | 83017.21 | |
| cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) | - | - | - | 19379.32 | 18842.55 | 13488.11 | 3563.38 | |
| Dehydroepiandrosterone Sulfate | 3400.64 | 28884.01 | 4549.46 | 4083401.25 | 2432873.17 | 8119349.01 | 5108099.53 | |
| Deoxycholic acid | - | - | - | 213180.72 | 93528.38 | 271828.31 | 168774.42 | |
| Dibenzyl phosphate (DBZP) | - | - | - | - | - | 14854.22 | 6730.37 | |
| Dibutyl phosphate (DBUP) | - | - | - | - | 13156.51 | 9642.60 | 48936.38 | |
| Didecanoyl-Glycerophosphocholine | - | - | - | 138534.62 | 93288.35 | 215392.86 | 164987.23 | |
| Diethylphosphate (DEP) | 27864.26 | 27646.93 | 19078.34 | 117038.37 | 82934.56 | 113783.15 | 92296.88 | |
| Diethylthiophosphate (DETP) | - | - | - | 2109.45 | 1217.35 | 3136.23 | 2518.74 | |
| Dihomo-Gamma-Linolenic acid | - | - | - | 125601.43 | 93006.54 | 146153.73 | 218236.48 | |
| Dimethylphosphate (DMP) | - | - | - | 38807.67 | 41285.16 | 31230.63 | 39502.74 | |
| Dipalmitoyl-Phosphoethanolamine | - | - | - | 11455.94 | 30611.73 | 12369.18 | 30488.14 | |
| Di-p-cresylphosphate | - | - | - | - | 15370.64 | - | 12056.83 | |
| Docosahexaenoic acid | - | - | - | 692820.44 | 371744.07 | 1277793.38 | 990353.84 | |
| Docosahexaenoyl PAF C-16 | - | - | - | 55411.29 | 52860.39 | 60786.80 | 58589.54 | |
| Docosapentaenoic Acid | - | - | - | 134866.97 | 80589.22 | 160380.24 | 217210.33 | |
| Dodecanedioic acid | 31194.07 | 46902.73 | 75068.96 | 183233.25 | 122701.97 | 73447.59 | 193282.91 | |
| Eicosapentaenoic acid | 5712.12 | 7332.18 | 6233.78 | 109595.07 | 76324.52 | 101959.00 | 190385.11 | |
| Eicosapentaenoyl PAF C-16 | - | 10666.23 | 5457.52 | 426208.24 | 241724.78 | 643606.42 | 372810.70 | |
| Epipregnanolone sulphate / Epiallopregnanolone sulfate | - | - | - | 42954.07 | 59235.15 | 145874.18 | 81896.37 | |
| Erucic acid | - | 4889.57 | 55316.87 | 40836.95 | 15985.61 | 14388.82 | 121947.03 | |
| Estriol 16alpha-(beta-D-glucuronide) | - | - | - | 6739.43 | 11688.52 | 2341.37 | 13634.71 | |
| Estrone sulfate | - | - | - | 14250.18 | 15298.34 | 33325.47 | 21105.94 | |
| Ethyl glucuronide | 8781.60 | 18329.02 | 55390.74 | 285635.42 | 218319.42 | 312478.22 | 278515.70 | |
| Ethyl Paraben | 4807.41 | 2815.59 | 3637.19 | 9042.18 | 10082.64 | 14377.77 | 11148.79 | |
| Ethyl sulfate | 594143.03 | 380487.09 | 599290.50 | - | 30114.74 | 3845.50 | 5551.78 | |
| Glycochenodeoxycholic acid | - | - | - | 1083850.85 | 390533.90 | 1272042.98 | 746731.70 | |
| Glycocholic acid | - | - | - | 253884.90 | 83305.33 | 252424.70 | 143501.31 | |
| Glycodeoxycholic Acid | - | - | - | 459460.94 | 168349.88 | 529303.43 | 323892.03 | |
| Glycolithocholic acid | - | - | - | 9920.50 | 3328.48 | 17356.88 | 10355.09 | |
| Glycoursodeoxycholic Acid | - | - | - | 159219.05 | 68030.93 | 206108.43 | 130056.03 | |
| Heptadecanoic acid | 3503.62 | 12508.27 | 4032.85 | 99979.87 | 125030.79 | 59657.63 | 105369.40 | |
| Hexadecanol | 2690.78 | 17046.88 | 3996.65 | 97636.08 | 120172.37 | 57928.71 | 101792.27 | |
| Hippuric acid | - | - | - | 62323.22 | 54328.88 | 99969.51 | 75917.04 | |
| Homogentisic acid | 1503.25 | 6204.62 | 20041.71 | 7197.21 | 4713.48 | 2786.10 | 8650.75 | |
| Hydroxyphenyllactic acid | - | - | - | 24239.51 | 12004.86 | 14311.26 | 15820.79 | |
| Hyocholic Acid | 3663.96 | 3958.26 | 5180.55 | 7418.19 | 5218.09 | 7117.16 | 5960.59 | |
| Hyodeoxycholic acid / Ursodeoxycholic acid | - | - | 3816.50 | 32721.37 | 15057.30 | 39533.09 | 28619.94 | |
| Indole-3-Acetic acid | - | - | - | 8655.39 | 5637.91 | 11898.05 | 7913.15 | |
| Indole-3-Carboxylic acid | - | - | - | 5491.99 | 8570.00 | 2532.86 | 6810.27 | |
| Indole-3-Ethanol | - | - | - | 4948.52 | 3829.86 | 3564.45 | 4262.40 | |
| Indoleacetaldehyde | - | - | - | 10519.98 | 18702.47 | 10284.91 | 22927.16 | |
| Indoxyl Sulfate | - | - | - | 199682.17 | 111808.78 | 348173.59 | 224534.02 | |
| Itaconic acid / 2-Methylmaleic acid | 2549.80 | 3448.44 | 7991.80 | 8307.01 | 6861.52 | 5390.35 | 8412.58 | |
| Lauric acid | - | 2859.47 | - | 28646.11 | 22201.47 | 30105.55 | 33453.19 | |
| Lignoceric Acid | 3409.03 | 34788.40 | 5372.27 | 39251.65 | 77162.65 | 11076.22 | 19130.26 | |
| Linoleic acid | 8745.11 | 9197.88 | 8775.74 | 1218482.09 | 741779.09 | 2149110.43 | 1226356.19 | |
| Lithocholic acid | - | - | - | 6814.77 | 5117.12 | 9149.10 | 5975.75 | |
| Lithocholyltaurine | - | - | - | 27000.83 | 16397.19 | 31961.50 | 27153.74 | |
| Lovastatin Hydroxy Acid | 11679.39 | 9768.66 | 15381.93 | 22657.76 | 15988.99 | 16681.91 | 17149.53 | |
| LysoPC (14:0) | - | - | - | 491005.72 | 319793.11 | 730700.91 | 573001.56 | |
| LysoPC(16:0) | 24721.64 | 51431.66 | 28383.01 | 26615946.34 | 20409208.78 | 32538393.24 | 28848895.42 | |
| LysoPC (17:0) | - | - | - | 457914.33 | 325231.64 | 724635.82 | 536327.80 | |
| LysoPC(18:0) | 12081.82 | 31129.79 | 15778.96 | 11354205.47 | 8011298.31 | 15582529.99 | 12778630.06 | |
| LysoPC (18:1) | 3966.38 | 6042.39 | 5862.26 | 6514351.22 | 4214702.55 | 10928120.35 | 7193620.62 | |
| LysoPC(20:0) | - | - | - | 64612.30 | 41532.74 | 98965.02 | 119775.64 | |
| LysoPC(22:0) | - | - | - | 24049.02 | 19421.41 | 28947.36 | 33489.76 | |
| LysoPC(24:0) | - | - | - | 29283.90 | 33396.08 | 39879.91 | 32503.03 | |
| LysoPC(26:0) | - | - | - | 17968.07 | 23300.34 | 11739.37 | 22818.19 | |
| LysoPE (16:0) | - | 5110.53 | 5247.83 | 1909675.28 | 1711561.01 | 708246.75 | 2968114.56 | |
| LysoPE (18:0) | - | - | - | 1304843.80 | 936174.79 | 841318.58 | 1979521.07 | |
| LysoPE (18:1) | - | 5058.87 | - | 1842471.64 | 1844063.11 | 963335.81 | 2920368.32 | |
| Malic acid | 4847.44 | 20489.19 | 33988.80 | 39166.96 | 67806.86 | 13207.13 | 73758.10 | |
| Mandelic acid / 3-Hydroxyphenylacetic acid | - | - | - | 15798.37 | 9889.95 | 21976.79 | 12581.16 | |
| MBP (Mono-n-butyl phthalate) / MiBP (Mono-isobutyl phthalate... | 6441.10 | 6838.57 | 8212.89 | 20514.29 | 37286.50 | 7841.78 | 13694.57 | |
| m-Coumaric acid | - | - | - | 3735.81 | 9608.23 | 7739.40 | 27698.65 | |
| MCPP (Mono (3-carboxpropyl) phthalate) | - | - | - | 3567.95 | - | - | - | |
| MEHP (Mono-2-ethylhexyl phthalate) | 8886.27 | 11066.71 | 10641.32 | 13983.02 | 22382.79 | 10158.59 | 12756.47 | |
| MEP (Mono-ethyl phthalate) | - | - | - | 4743.74 | 5773.12 | 3584.96 | 4510.62 | |
| Methyl Paraben | - | - | - | 18315.02 | 18664.69 | 26677.26 | 24585.17 | |
| MiNP (Mono-isononyl phthalate) | 33969.57 | 50796.18 | 30296.54 | - | 6742.90 | 8452.31 | 5682.68 | |
| Mono-(2-ethylhexyl) terephthalate | 138420.18 | 118002.48 | 133226.14 | 175461.33 | 178577.59 | 174069.94 | 174741.28 | |
| Mono-isodecyl phthalate | - | - | - | - | 5778597.99 | 23356.18 | 5885.47 | |
| Myristic acid | 6183.52 | - | 4848.76 | 46562.02 | 38884.60 | 88867.04 | 40870.59 | |
| N-Acetylphenylalanine | - | - | - | 6133.10 | 6400.37 | 4273.83 | 7078.35 | |
| N-Acetyl-S-(4-hydroxy-2-buten-1-yl)-L-cysteine | 4530.89 | - | - | 22899.37 | 16299.54 | 24624.13 | 19091.34 | |
| Naproxen | - | - | - | 18528.99 | 417851.98 | 1624322.66 | 507210.10 | |
| Nervonic acid | - | - | - | 15288.68 | 14173.13 | 9980.12 | 17367.53 | |
| N-Formyl-L-Methionine | - | - | - | 12399.80 | 14178.79 | 8833.44 | 12131.42 | |
| N-Palmitoyl Taurine | - | - | - | 41742.82 | 37585.54 | 19866.53 | 91749.22 | |
| OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate) | 2881.58 | 31155.11 | 3235.11 | 10702.42 | 20699.01 | 5187.29 | 7866.33 | |
| Oleamide | - | - | - | 317414.68 | 378891.42 | 14127.23 | 638592.82 | |
| Oleoyl-glycerol | - | - | - | 28216.72 | 44598.57 | 28841.33 | 50027.18 | |
| Omega-Hydroxydodecanoic acid | - | 8097.00 | - | 11811.69 | 17596.00 | 5972.97 | 16113.13 | |
| O-Octadecanoyl L-Carnitine | - | - | - | 5965.86 | 8897.15 | 2353.28 | 10176.37 | |
| Oxoadipic acid | 6206.41 | 25261.06 | 185172.98 | 32820.73 | 36017.07 | 8034.56 | 72110.93 | |
| Oxoglutaric acid | 3841.09 | 9659.32 | 189349.13 | 1055985.02 | 711009.98 | 1030398.33 | 1054277.82 | |
| PAF C-16 | 5500.69 | 7363.23 | 4661.69 | 1611605.45 | 967689.63 | 2465385.76 | 1610379.14 | |
| PAF C-18 | - | - | - | 17208.20 | 12371.40 | 14271.70 | 19721.11 | |
| Palmitic acid | 136580.88 | 295439.14 | 235039.27 | 1210334.82 | 919073.79 | 1361678.15 | 1280708.96 | |
| Palmitoleic acid | 4508.23 | 4390.14 | 3119.42 | 316438.04 | 220955.98 | 501073.97 | 328702.68 | |
| Palmitoylcarnitine | - | - | - | 24171.18 | 34317.87 | 7905.14 | 43565.52 | |
| Palmitoyl-EA | - | - | - | 10242.97 | 9595.19 | 9081.16 | 15958.26 | |
| PC (18:2/0:0) | 4424.86 | 9589.68 | 5364.74 | 9625532.48 | 5847521.39 | 14723981.04 | 10440424.67 | |
| p-Cresol | - | - | - | 14279.00 | 12488.13 | 24628.25 | 19158.00 | |
| p-Cresol glucuronide | - | - | - | 4802.51 | 4901.00 | 8410.21 | 6345.80 | |
| p-Cresol sulfate | - | - | - | 1078806.84 | 838479.99 | 1972226.40 | 1476054.05 | |
| Pentachlorophenol | - | - | - | 11423.22 | 7463.03 | 17156.10 | 19624.91 | |
| Perfluorodecanoic acid | 14859.29 | 16141.04 | 14886.23 | 28260.66 | 28197.00 | 28003.10 | 29577.47 | |
| Perfluorododecanoic acid | 7583.08 | 6971.78 | 7420.45 | 8793.37 | 8875.78 | 8863.35 | 9491.91 | |
| Perfluoroheptanesulfonic acid | - | - | - | 1823.49 | 1496.96 | 2698.62 | 1933.18 | |
| Perfluoroheptanoic acid | 10491.15 | 24824.40 | 22095.20 | 93993.59 | 91272.15 | 86469.12 | 131736.12 | |
| Perfluorohexadecanoic acid | 7913.28 | 9338.70 | 9749.25 | 10299.68 | 13217.56 | 13080.93 | 12988.42 | |
| Perfluorohexanesulphonic acid (PFHxS) | 35122.34 | 31918.94 | 38454.89 | 46659.05 | 51383.22 | 63349.71 | 56670.10 | |
| Perfluorohexanoic acid | - | 7300.76 | - | 27006.64 | 26572.88 | 25338.05 | 36477.61 | |
| Perfluorononanoic acid | 42655.03 | 56208.20 | 55577.14 | 112407.30 | 114633.48 | 113740.90 | 121675.18 | |
| Perfluoro-n-pentanoic acid | - | - | - | 4829.61 | 5234.04 | 4469.07 | 4958.24 | |
| Perfluoro-n-tridecanoic acid | - | - | - | 3636.71 | 3414.64 | 3404.62 | 3823.72 | |
| Perfluorooctanesulfonic acid | 4019.79 | 4567.23 | 4231.26 | 25854.86 | 18385.37 | 49306.20 | 31765.25 | |
| Perfluorooctanesulfonic acid (PFOS) (branched) | - | - | - | 9407.45 | 6196.20 | 17541.78 | 11357.99 | |
| Perfluorooctanoic acid | 38464.25 | 60293.75 | 51912.78 | 161534.27 | 173483.75 | 172996.55 | 179990.72 | |
| Phenylacetic acid | - | - | - | 23291.97 | 12934.10 | 16083.20 | 17060.56 | |
| Phenylacetylglutamine | - | - | - | 91393.89 | 41775.69 | 90966.19 | 63276.55 | |
| Phenylglyoxylic acid | 5012.71 | 6087.73 | 9778.62 | 5696.32 | 3026.54 | 5481.64 | 4037.79 | |
| Phthalic acid | - | - | - | 6145.15 | 7479.49 | 7315.37 | 7502.56 | |
| P-Hydroxyphenylacetic acid / 2-Hydroxyphenylacetic acid | - | - | - | 13462.04 | 10370.22 | 20309.55 | 13367.32 | |
| POV-PC | - | - | - | 235812.20 | 332570.38 | 90682.80 | 401509.00 | |
| Pregnenolone Sulfate | - | - | - | 131721.48 | 78832.26 | 246739.58 | 166416.09 | |
| Protoporphyrin | - | - | - | 8359.21 | 9834.71 | 20321.88 | 9087.93 | |
| Salicylic acid | 79729.65 | 53970.49 | 33787.70 | 298291.14 | 192440.32 | 149955.28 | 334908.45 | |
| Salsolinol | 14119.56 | 12367.76 | 15013.93 | 22840.04 | 22109.17 | 21881.58 | 21687.79 | |
| S-Budesonide | 58486.27 | 58439.08 | 66066.46 | 105519.53 | 76813.75 | 83494.81 | 85105.48 | |
| Sebacic acid | 60713.48 | 66631.82 | 139373.43 | 305024.95 | 208071.27 | 94488.67 | 356075.03 | |
| S-Hexyl-Glutathione | - | - | - | 11609.36 | 6329.99 | - | 12307.41 | |
| Sphinganine-1-phosphate (d18:0) | - | - | - | 165279.90 | 156940.27 | 56225.68 | 153123.09 | |
| Sphingomyelin | - | - | - | 198429.53 | 292821.75 | 121219.01 | 184353.75 | |
| Sphingosine-1-phosphate (d18:1) | 7262.14 | 18176.37 | 8228.36 | 642235.49 | 485338.71 | 391058.92 | 571097.02 | |
| Stearic acid | 276192.21 | 381901.59 | 586862.17 | 1155372.58 | 786243.62 | 1177091.03 | 1362464.41 | |
| Suberic acid | 24196.02 | 26930.77 | 49315.68 | 101590.89 | 70456.49 | 32782.38 | 121437.64 | |
| Taurochenodeoxycholic Acid | - | - | - | 223925.13 | 96405.75 | 287605.19 | 181770.38 | |
| Taurocholic acid | - | - | - | 59220.59 | 33764.27 | 56160.81 | 51039.64 | |
| Taurodeoxycholic acid | - | - | - | 94382.73 | 50431.45 | 125688.14 | 90311.82 | |
| Taurohyodeoxycholic Acid / Tauroursodeoxycholic Acid | - | - | - | 20751.38 | 15285.41 | 19302.94 | 20380.44 | |
| Thioetheramide-PC | - | - | - | 376269.12 | 663513.46 | 115631.67 | 464484.73 | |
| Thyroxine | - | - | - | 23139.85 | 9941.18 | 41053.04 | 19198.46 | |
| trans,trans -Muconic acid | - | 1860.53 | 35807.61 | 2961.78 | 2636.09 | 1776.81 | 10285.26 | |
| Tricosanoic acid | - | 15958.41 | - | 9235.16 | 24971.39 | - | 3328.20 | |
| Xanthurenic acid | - | - | - | 34040.41 | 24622.06 | - | 23529.14 |
Factors:
| F1 | SampleType:matrix | Sampler:DBS |
| F2 | SampleType:matrix | Sampler:plasma |
| F3 | SampleType:matrix | Sampler:VAM |
| F4 | SampleType:PooledQC | Sampler:LQC |
| F5 | SampleType:sample | Sampler:DBS |
| F6 | SampleType:sample | Sampler:plasma |
| F7 | SampleType:sample | Sampler:VAM |
