Data for ST002459
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
|---|---|---|---|---|---|---|---|---|
| 12,13-DiHOME | - | - | - | 36008.20 | 52287.09 | 26380.96 | 61661.12 | |
| 12,13-EpOME / 9,10-EpHOME | 21342.64 | 26229.84 | 14850.64 | 67460.37 | 77904.22 | 40026.07 | 50702.21 | |
| 18:0-18:2 PC (1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocho... | 140088.30 | 1142917.01 | 270877.72 | 38462748.96 | 31412405.62 | 41465270.51 | 38626611.31 | |
| 18:2 (Cis) PC (DLPC) (1,2-dilinoleoyl-sn-glycero-3-phosphoch... | 217377.64 | 968948.76 | 277993.44 | 24566931.03 | 17714450.73 | 27184316.30 | 23247675.34 | |
| 18:2 PE (1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine) | - | - | - | 1222822.76 | 1066832.36 | 2029631.04 | 1671478.61 | |
| 1-Arachidonoylglycerol | - | - | - | 34917.64 | 74748.10 | 27700.95 | 57634.61 | |
| 1-Linoleoylglycerol_2 | 85304.41 | 171416.46 | 100615.48 | 401348.65 | 572631.76 | 437900.55 | 414767.68 | |
| 25-Hydroxycholesterol | - | - | - | 207392.22 | 287723.05 | 21581.87 | 289827.08 | |
| 2-O-ethyl PAF C-16 | - | - | - | 537772.39 | 380749.23 | 358594.35 | 657355.14 | |
| 2-Thioxothiazolidine-4-carboxylic acid | - | - | - | - | 3466.82 | 4049.05 | - | |
| 2-Undecanone | 16382.88 | 17242.31 | 18513.37 | 23343.40 | 21092.92 | 20480.15 | 22537.34 | |
| 3,4-Dihydroxyphenylglycol | - | - | - | - | 6563.38 | - | 85437.97 | |
| 3,5-Diiodo-L-Thyronine | - | - | - | 25831.37 | 14069.54 | 10263.03 | 15484.80 | |
| 3-amino-4-hydroxybenzoate | - | - | - | 47669.26 | 35386.69 | 47102.03 | 41546.11 | |
| 3-Hydroxyanthranilic acid | - | - | - | 22378.54 | 18856.15 | 30792.46 | 25262.60 | |
| 3-Methyl-2-Oxindole | - | - | - | 100295.05 | 52791.71 | 158966.13 | 81898.16 | |
| 3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate) | - | - | - | 281048.40 | 115832.35 | 320956.81 | 180568.16 | |
| 4-Guanidinobutanoic acid | - | - | - | 31539.43 | 27556.09 | 36200.67 | 34098.11 | |
| 5^-Deoxyadenosine | - | - | - | 23362.46 | 14300.65 | 15075.67 | 21028.62 | |
| 9,10-DiHOME | 13750.96 | 20779.89 | 14969.56 | 35721.39 | 34019.81 | 30853.62 | 40010.37 | |
| 9S-HODE | - | - | - | 145121.15 | 244789.00 | 22133.13 | 182042.29 | |
| Acetaminophen | - | - | - | 228103.45 | 762827.12 | 1047418.50 | 1489427.51 | |
| Adrenic Acid | - | - | - | 21500.59 | 16757.30 | 36700.37 | 25902.25 | |
| Alpha- linolenic acid / Gamma-Linolenic acid | - | - | - | 24928.01 | 17878.59 | 38878.47 | 23817.09 | |
| Alpha-Tocotrienol | - | - | - | 286485.14 | 311814.35 | 30503.68 | 306819.31 | |
| Androstenedione | - | - | - | 15036.79 | 7655.02 | 12368.72 | 10041.32 | |
| Arachidonic Acid | - | - | - | 153515.46 | 106599.90 | 90810.70 | 215921.29 | |
| Arachidonoyl PAF C-16 | 28811.41 | 89220.94 | 43713.31 | 2508626.97 | 1812836.00 | 2920076.58 | 2356244.93 | |
| Azelate | 67286.98 | 113386.37 | 74492.93 | 143861.70 | 127739.67 | 56258.31 | 176843.57 | |
| Benzophenone-3 (Oxybenzone) | 44357.41 | 43383.59 | 48748.08 | 37110.59 | 39479.22 | 40502.79 | 37465.69 | |
| Benzyl paraben | 34126.99 | 39622.30 | 36709.04 | 31899.66 | 34312.34 | 33804.30 | 32305.77 | |
| Bilirubin | - | - | - | 12021.44 | 8436.01 | 10740.36 | 8252.83 | |
| Bis(2-ethylhexyl)phthalate | 392802.51 | 3776527.57 | 369414.53 | 682526.98 | 1288649.74 | 401097.44 | 219451.57 | |
| Bisphenol F | - | - | - | 196738.43 | 118927.78 | 205112.07 | 242496.52 | |
| C16 Sphingomyelin (d18:1/16:0) | - | 221173.05 | 31751.91 | 19856554.28 | 18592456.58 | 17321794.79 | 15869317.38 | |
| Caffeine | - | - | - | 1789195.17 | 1263109.06 | 2899020.65 | 1532541.22 | |
| Ceramide d18:1/16:0 | - | - | - | 92763.35 | 62808.37 | 231010.69 | 95996.93 | |
| Ceramide d18:1/18:1 (9z) | - | - | - | 8980.73 | 12304.64 | 10313.65 | 11862.88 | |
| Chenodeoxycholate | - | - | - | 70050.69 | 61802.31 | 140036.56 | 81999.74 | |
| Cholate | 8295.93 | 14823.79 | 12023.07 | 16941.98 | 17138.42 | 18291.38 | 20933.92 | |
| Cholesterol | 18441.48 | 51481.48 | 25802.58 | 9948737.97 | 10356583.94 | 12566702.85 | 10742214.67 | |
| cis-Vaccenic Acid / Elaidate/ Oleic acid / Petroselinic acid | - | - | - | 33577.42 | 32495.46 | 85741.38 | 37417.49 | |
| Coenzyme Q10 | - | - | - | 90797.77 | 70741.48 | 123522.95 | 98292.25 | |
| Corticosterone | - | 13745.51 | - | 23072.40 | 16753.15 | 22539.90 | 24517.57 | |
| Cortisol | - | - | - | 417907.14 | 234512.49 | 814567.58 | 446624.38 | |
| Cortisol 21-acetate | 35746.40 | 44431.87 | 40760.28 | 50763.88 | 35532.51 | 24972.14 | 28233.82 | |
| Cortisone | - | - | - | 95598.25 | 65129.33 | 176907.26 | 120729.48 | |
| Cotinine | - | - | - | - | 197569.18 | 355719.59 | 286462.68 | |
| cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate) | 26007.26 | 10913.91 | 32340.74 | 49655.64 | 32683.33 | 75860.21 | 53257.90 | |
| Deoxycholate | - | - | - | 69717.40 | 65333.37 | 135031.97 | 80522.73 | |
| Deoxycorticosterone acetate | 24717.28 | 33414.61 | 26682.65 | 42010.74 | 35625.57 | 33672.64 | 56576.30 | |
| Desmosterol | - | 52811.35 | - | 2248156.47 | 3320545.47 | 30593.34 | 2530843.57 | |
| Didecanoyl-Glycerophosphocholine | - | - | - | 133428.07 | 103255.93 | 310424.22 | 116357.45 | |
| Dihomo-Gamma-Linolenic acid | - | - | - | 41596.81 | 40782.81 | 28546.98 | 44840.67 | |
| Dipalmitoylglycerol | 44958.27 | 41693.29 | 45887.57 | 8847.60 | 14509.09 | 4508.06 | 8234.59 | |
| Dipalmitoyl-phosphatidylcholine | - | - | - | 1404871.73 | 2843085.90 | 428568.67 | 1866058.09 | |
| Dipalmitoyl-Phosphoethanolamine | - | - | - | 55453.48 | 77537.10 | 37977.46 | 68376.00 | |
| Docosahexaenoate | 18986.06 | 73545.40 | 17821.96 | 142639.50 | 115857.04 | 193877.43 | 148483.51 | |
| Docosahexaenoyl PAF C-16 | - | - | - | 577315.58 | 543935.44 | 1182183.49 | 819261.84 | |
| Docosapentaenoic Acid | - | - | - | 11629.36 | 9819.17 | 23219.12 | 11106.96 | |
| Dodecanoylcarnitine (Lauroylcarnitine) | 48993.54 | 53584.28 | 46492.36 | 273534.86 | 212414.52 | 397968.58 | 313080.27 | |
| Eicosapentaenoate | - | - | - | - | - | 51628.74 | - | |
| Eicosapentaenoyl PAF C-16 | 12902.04 | 47655.35 | 12215.37 | 958179.76 | 575584.49 | 1311339.48 | 836958.58 | |
| Epinephrine | - | - | - | 1299115.40 | 1008544.64 | 1524846.35 | 1247618.74 | |
| Erucate | 55956.52 | 84454.42 | 61687.48 | 43836.86 | 47139.83 | 89191.15 | 36555.68 | |
| Gluconate | 40352.61 | 19342.06 | 28326.10 | - | 45003.84 | - | - | |
| Glycerol-myristate | 41544.55 | 29212.66 | 29923.24 | 7858.35 | 37912.64 | 30583.46 | 27457.58 | |
| Glyceryl trimyristate | - | - | - | 1060729.05 | 1980524.57 | 15432.48 | 1553088.77 | |
| Glycochenodeoxycholate | - | - | - | 454239.25 | 276753.92 | 703958.24 | 477757.64 | |
| Glycocholate | - | - | - | 173482.59 | 127260.20 | 292252.17 | 210717.02 | |
| Heptanoate | - | - | - | 8828.61 | 17499.86 | 7424.56 | 8135.39 | |
| Heptyl paraben | - | - | - | - | - | 15859.28 | - | |
| Hippurate | - | - | - | 64980.10 | 29909.07 | 63486.24 | 39693.99 | |
| Hyocholic Acid | - | - | - | - | - | 43642.85 | - | |
| Hyodeoxycholic acid | - | - | - | 42150.28 | 29803.32 | 27172.20 | 31368.45 | |
| Indole-3-Acetate | - | - | - | 108733.31 | 48434.62 | 169386.13 | 89534.10 | |
| Indoleacetaldehyde | - | - | - | 72190.68 | 33235.97 | 86505.01 | 58182.39 | |
| Kynurenate | - | - | - | 12735.84 | 9065.50 | 12292.18 | 11317.23 | |
| Laurate | - | - | - | 8263.80 | 11187.80 | 7472.49 | 13349.57 | |
| L-carnitine | 106388.17 | 132850.16 | 317591.71 | 2950820.40 | 2762734.02 | 3781869.61 | 3018457.99 | |
| L-Glutamic acid / O-Acetylserine | 13516.53 | 16246.76 | 15824.20 | 157493.28 | 186156.61 | 117700.96 | 174348.25 | |
| Linoleic acid | 99149.59 | 82935.93 | 91367.47 | 82502.55 | 71724.64 | 145838.13 | 83968.26 | |
| L-thyroxine (Levothyroxine), T4 | - | - | - | 159433.78 | 66002.02 | 332916.53 | 127214.36 | |
| LysoPC(16:0) | 132757.41 | 824863.22 | 196656.76 | 58240492.65 | 49522488.80 | 65782754.66 | 62373026.16 | |
| LysoPC(22:0) | - | - | - | 53943.50 | 43385.14 | 52691.47 | 56994.21 | |
| LysoPC(24:0) | - | - | - | 111001.10 | 86259.71 | 151197.73 | 119640.33 | |
| LysoPC(26:0) | - | - | - | 19905.48 | 8158.14 | 23121.08 | 15741.24 | |
| MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate) | - | - | - | 64614.73 | 52259.73 | 97488.40 | 59787.30 | |
| MEHHP (Mono-2-ethyl-5-hydroxyhexyl phthalate) | - | - | - | 81968.15 | 168837.14 | 28362.84 | 140995.77 | |
| Methyl 4-aminobutyrate | 447357.14 | 121052.12 | 289097.46 | 3498894.72 | 3197159.68 | 3111724.00 | 3610467.65 | |
| Methyl galactoside | 17628.11 | 11044.30 | 17334.36 | 6080.33 | 11613.82 | 32511.17 | 11378.73 | |
| Methylthioadenosine | - | - | - | 124545.27 | 145672.29 | 20643.08 | 169787.41 | |
| MHNCH (Cyclohexane-1,2-dicarboxylic mono hydroxyisononyl est... | - | - | - | - | - | - | 9642.74 | |
| MiBP (Mono-isobutyl phthalate) | - | - | - | - | 207986.34 | 494031.99 | - | |
| mono-isodecyl phthalate | - | - | - | - | 1887291.40 | - | - | |
| mono-n-butylphthalate (BzBP, DnBP) | - | - | - | 417739.14 | 154438.14 | 483546.58 | 233834.34 | |
| MOP (Mono-n-octyl phthalate) / Mono-(2-ethylhexyl) terephtha... | 592236.77 | 572129.05 | 576103.67 | 820161.13 | 820157.90 | 922264.52 | 787732.30 | |
| N-Acetylalanine | - | - | - | - | 11158.03 | 357315.84 | - | |
| N-Acetylglucosamine | - | - | 30828.57 | 38910.89 | 4779.59 | 2721.54 | 4615.78 | |
| N-Acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine | - | - | - | 31851.87 | 22854.88 | 33021.97 | 24499.51 | |
| N-alpha-Acetyllysine | 12864.46 | 12645.69 | 20955.52 | 39199.79 | 39679.05 | 38232.18 | 45961.99 | |
| Naproxen | - | - | - | 276413.91 | 525016.83 | 878649.27 | 537118.04 | |
| O-Acetyl-L-carnitine | 5600.49 | 7519.81 | 22455.90 | 3432734.60 | 3574650.19 | 3509964.64 | 2188818.92 | |
| O-Butyryl-L-carnitine | - | - | - | 161204.17 | 15717.52 | 22843.04 | 19096.34 | |
| O-Dodecanoyl-L-Carnitine | 40726.71 | 40892.98 | 35635.97 | 262804.57 | 213153.09 | 396541.70 | 313881.68 | |
| O-Glutaryl-L-Carnitine | 1952.15 | 32735.78 | - | 70361.14 | 58508.24 | 40106.14 | 66695.24 | |
| OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate) | - | - | - | 18220.04 | 12277.00 | 8973.54 | 17370.46 | |
| O-Isovaleryl-L-carnitine | - | - | - | 173835.68 | 104675.30 | 165182.22 | 148855.10 | |
| Oleamide | - | 26373.42 | 73366.15 | 87373.54 | 57264.05 | 70727.67 | 191896.66 | |
| Oleoyl-glycerol | 268525.22 | 226737.45 | 197057.17 | 322784.63 | 423512.08 | 595886.11 | 268862.47 | |
| Omega-Hydroxydodecanoate | 817275.09 | 821771.72 | 730927.67 | 831481.13 | 820311.10 | 888456.94 | 747730.99 | |
| O-Myristoyl-L-carnitine | - | - | - | 90735.73 | 107375.47 | 43620.86 | 126583.19 | |
| O-Octadecanoyl-L-Carnitine | - | - | - | 470833.54 | 721217.99 | 78625.31 | 824662.97 | |
| O-Octanoyl-L-carnitine | 22143.84 | 19653.04 | 22255.00 | 801839.46 | 407544.67 | 1259616.22 | 731361.01 | |
| O-Palmitoyl-L-carnitine | - | 24957.74 | 7766.31 | 3121196.41 | 4377017.20 | 829943.32 | 5448953.68 | |
| Ophthalmate | - | - | - | 44245.49 | 88831.96 | 2156.81 | 71467.10 | |
| O-Propionyl-L-carnitine | - | - | - | 40507.92 | 43613.42 | 17945.61 | 43971.96 | |
| oxo-MiNP (7-Oxo-(Mono-methyl-octyl) phthalate) | 28487.04 | 4147.80 | 57786.05 | 63659.01 | 27393.35 | 27683.07 | 54842.51 | |
| PAF C-16 | 50174.80 | 340590.62 | 98374.88 | 41834295.73 | 29933768.53 | 59640053.93 | 43273815.77 | |
| PAF C-18 / LysoPC(20:0) | - | - | - | 195810.94 | 124093.52 | 211383.48 | 249253.53 | |
| Palmitoyl-EA | 18182.63 | 41103.39 | 32554.28 | 64428.88 | 65177.21 | 54541.37 | 62714.14 | |
| Paraxanthine | - | - | - | 552930.78 | 468374.75 | 896907.61 | 682408.50 | |
| Phenylacetylglutamine | - | - | - | 347691.74 | 157273.81 | 389107.66 | 242308.42 | |
| P-Octopamine | - | - | - | 193765.60 | 182906.80 | 216719.99 | 188806.27 | |
| POV-PC | - | - | - | 1285438.57 | 2557001.51 | 170861.51 | 3013335.91 | |
| Progesterone | - | - | - | 24089.05 | 54615.91 | 159940.99 | 72161.98 | |
| Propyl paraben | 372074.16 | 1182231.94 | 381694.37 | 621640.61 | 835326.21 | 346302.63 | 318225.64 | |
| Pyridoxal | - | - | - | 75515.73 | 53733.13 | 92055.36 | 57694.42 | |
| Pyroglutamic acid | - | - | - | 27702.26 | 26216.86 | 37904.00 | 30517.68 | |
| Quinate | - | - | - | 18902.99 | 28917.36 | 4231.09 | 29921.44 | |
| R-Budesonide | 52908.72 | 55980.36 | 58385.99 | 68878.89 | 110765.18 | 42989.68 | 115033.39 | |
| Retinoate | - | - | - | 28441.68 | 20983.42 | 6009.44 | 36996.56 | |
| Riboflavin | - | - | - | 15894.46 | 13045.90 | 14309.71 | 28757.17 | |
| Sarcosine | - | - | - | 9265.92 | 12320.10 | 4106.02 | 11880.33 | |
| S-Budesonide | - | - | - | 6127.79 | 5494.17 | 4334.49 | 8605.84 | |
| Sphinganine | - | - | - | 10389.38 | 9732.18 | 14896.99 | 11587.04 | |
| Sphingomyelin | - | - | - | 455854.44 | 869171.85 | 304559.62 | 523181.20 | |
| Taurodeoxycholic acid | 33126.52 | 62454.73 | 50508.80 | 50845.31 | 42988.16 | 52358.11 | 47691.24 | |
| Theobromine | - | - | - | 377074.13 | 392448.55 | 573276.25 | 517285.32 | |
| Thioetheramide-PC | 9077.00 | 34690.40 | 13201.62 | 29564577.07 | 30125151.01 | 28669662.16 | 31189551.04 | |
| Thyroxine | - | - | - | 158836.23 | 65862.67 | 332995.15 | 126892.26 | |
| Trans-3-hydroxycotinine | - | - | - | - | 36098.07 | 46699.85 | 53983.71 | |
| Trans-Cinnamate | 282831.76 | 591676.19 | 374340.15 | 179150.37 | 172490.30 | 142276.57 | 180355.31 | |
| Trigonelline | - | 7646.94 | 7723.95 | 104576.31 | 92906.14 | 125715.76 | 114830.29 | |
| Trimethylamine-N-Oxide | 2204.47 | 1829.89 | 6608.05 | 8540.80 | 7341.55 | 10681.28 | 6470.00 | |
| Tryptamine | - | - | - | 301217.52 | 157968.41 | 378300.66 | 235890.00 | |
| Uracil 5-carboxylate | - | - | - | 17328.09 | 22834.37 | 14295.76 | 25828.27 | |
| Ursodeoxycholic acid | - | - | - | 1628210.66 | 1488083.71 | 1510403.36 | 1379323.28 |
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 |
