Data for ST001048
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 1-Aminocyclopropanecarboxylate | 23462.43 | 71070.20 | - | 4197.50 | |
| 1-Methyladenosine_R1 | 3330809.87 | 2601175.87 | 4081601.98 | 3077706.75 | |
| 1-Methyladenosine_R2 | 3134601.69 | 2368711.32 | 3632288.26 | 2960232.29 | |
| 1-Methyl-L-Histidine | 18477934.76 | 30662364.70 | 11341525.24 | 22937840.41 | |
| 1-Methylnicotinamide | 74317.88 | 70108.28 | 55988.48 | 63653.83 | |
| 1-Methyluric Acid | 459642.59 | 1943443.97 | 3354748.74 | 459866.27 | |
| 2-Aminophenol_R1 | 146699.45 | 1073736.86 | 2050285.68 | 143183.75 | |
| 2-Aminophenol_R2 | 278066.11 | 1043098.47 | 2008454.87 | 136365.48 | |
| 2-Deoxy-D-Glucose_R1 | 228426.74 | 293715.86 | 416211.37 | 199570.69 | |
| 2-Deoxy-D-Glucose_R2 | 172200.13 | 206205.29 | 303373.59 | 177703.67 | |
| 2-Hydroxypyridine_R1 | 13857.50 | 23220.10 | 20911.28 | 9541.87 | |
| 2-Hydroxypyridine_R2 | 16881.76 | 25563.09 | 25738.31 | 11958.25 | |
| 2-Oxobutanoate | 4106.39 | 4557.72 | 9093.52 | 4487.46 | |
| 2-Quinolinecarboxylate | 10595.52 | 17719.50 | 15404.47 | 9638.14 | |
| 3-(2-Hydroxyphenyl)Propanoate_R1 | 32863.00 | 41281.63 | 28808.10 | 34734.34 | |
| 3-(2-Hydroxyphenyl)Propanoate_R2 | 35206.21 | 40865.13 | 31951.76 | 31021.82 | |
| 3,4-Dihydroxybenzoate | 5850.02 | 3857.68 | 2770.99 | 3379.26 | |
| 3-(4-Hydroxyphenyl)Pyruvate | 86253.09 | 64392.37 | 40760.61 | 57403.89 | |
| 3-(4-Hydroxyphenyl)Pyruvate / Caffeate | 50292.66 | 30636.07 | 14377.73 | 16833.24 | |
| 3-Amino-4-Hydroxybenzoate_R1 | 199440.22 | 173256.83 | 270395.02 | 195713.89 | |
| 3-Amino-4-Hydroxybenzoate_R2 | 154233.88 | 142958.40 | 220778.64 | 152271.97 | |
| 3-Amino-5-Hydroxybenzoate_R1 | 90146.14 | 64503.96 | 30333.59 | 16256.27 | |
| 3-Amino-5-Hydroxybenzoate_R2 | 75706.05 | 57053.06 | 29396.57 | 13873.60 | |
| 3-Hydroxy-3-Methylglutaryl-Coa | 5888.62 | 6634.61 | 6823.47 | 6749.04 | |
| 3-Hydroxyanthranilic acid_R1 | 163697.49 | 85776.58 | 148462.68 | 170311.20 | |
| 3-Hydroxyanthranilic acid_R2 | 199510.59 | - | 126941.42 | 154962.81 | |
| 3-Methoxytyramine_R1 | 168479.37 | 34734.38 | - | 38016.48 | |
| 3-Methoxytyramine_R2 | 210378.63 | 30845.99 | - | 32431.81 | |
| 3-Methoxytyrosine | 28523.73 | 16483.07 | 11901.67 | 22431.50 | |
| 3-methylhistamine_R1 | 44762.82 | 38573.11 | 55379.25 | 46873.91 | |
| 3-methylhistamine_R2 | 44494.92 | 38552.89 | 55146.39 | 46727.67 | |
| 3-Nitro-L-Tyrosine_R1 | 1605242.13 | 1581227.97 | 1685083.47 | 1632225.96 | |
| 3-Nitro-L-Tyrosine_R2 | 1515972.75 | 1494892.35 | 1776482.29 | 1517567.29 | |
| 4-Acetamidobutanoate_R1 | 532363.51 | 625426.37 | 540124.53 | 539541.94 | |
| 4-Acetamidobutanoate_R2 | 437618.23 | 503574.34 | 450593.72 | 451940.87 | |
| 4-Aminobenzoate / Anthranilate | 9782.73 | 11715.19 | 14292.20 | 10903.71 | |
| 4-Guanidinobutanoate | 477307.26 | 28901.14 | 13213.10 | 21921.92 | |
| 4-Hydroxybenzaldehyde_R1 | 5126557.19 | 6990198.45 | 8252372.86 | 5743908.44 | |
| 4-Hydroxybenzaldehyde_R2 | 4881335.23 | 6554713.98 | 8038288.10 | 5458603.04 | |
| 4-Hydroxybenzoate | 7511.54 | 2294.62 | - | 4422.18 | |
| 4-Imidazoleacetate | 46781.20 | - | 14456.25 | 5398.65 | |
| 4-Pyridoxic acid | 378799.36 | 371100.91 | 336220.49 | 326441.48 | |
| 4-Pyrodixic acid / Xanthurenate | 364053.00 | 384144.26 | 341311.12 | 339720.15 | |
| 5-aminolevulinic acid | 128418.72 | 47015.38 | 57972.03 | 137579.22 | |
| 5-Hydroxylysine | 5912.58 | 2317.00 | - | 2851.68 | |
| 5-Hydroxytryptophan | 10033.45 | 7295.20 | 11349.53 | 10800.08 | |
| 5-Methylcytosine_R1 | 190701.31 | 121860.73 | 230941.52 | 182267.90 | |
| 5-Methylcytosine_R2 | 235583.32 | 169288.66 | 274934.60 | 230462.34 | |
| 6-Hydroxynicotinate_R1 | 28365.32 | 86059.42 | 41832.99 | 21144.29 | |
| 6-Hydroxynicotinate_R2 | 60924.17 | 120058.65 | 126429.76 | 48798.81 | |
| Acetaminophen | 177213.76 | 683886.10 | 684463.13 | 9855.63 | |
| Adenine_R1 | 186482.32 | 81703.16 | 232161.53 | 194251.27 | |
| Adenine_R2 | 205071.95 | 93408.68 | 261126.50 | 205627.26 | |
| Adenosine 2^,3^-Cyclic Phosphate | 36298.14 | 6780.02 | - | - | |
| Adenosine_R1 | 991269.64 | 407023.81 | 1177079.09 | 980328.95 | |
| Adenosine_R2 | 938476.98 | 353978.86 | 1105407.28 | 924408.87 | |
| Adrenaline(Epinephrine)_R1 | 16338.07 | 16637.60 | 13769.61 | 16348.88 | |
| Adrenaline(Epinephrine)_R2 | 14769.47 | 18632.50 | 13673.43 | 16310.25 | |
| Alanine / D-Alanine | 16339.43 | 12456.59 | 14302.72 | 13871.31 | |
| Allantoin_R1 | 62086.50 | 39831.82 | 43799.24 | 46047.28 | |
| Allantoin_R2 | 50716.76 | 38157.35 | 39267.35 | 36854.99 | |
| Aminoadipate | 182186.42 | 168532.54 | 239848.41 | 131501.31 | |
| Aminocaproate_R1 | 836755.92 | 543089.40 | 810276.91 | 826194.06 | |
| Aminocaproate_R2 | 819576.37 | 526498.79 | 827386.37 | 828693.84 | |
| Aniline-2-Sulfonate | 5787.18 | 2259.87 | 3172.11 | - | |
| Anserine_R1 | 241641.47 | 48536.59 | 49789.38 | 81985.26 | |
| Anserine_R2 | 241340.60 | 45412.50 | 48988.91 | 72391.38 | |
| Asparagine_R1 | 444542.42 | 108875.91 | 381464.37 | 431001.63 | |
| Asparagine_R2 | 412322.26 | 99012.89 | 362647.20 | 398795.27 | |
| Asymmetrical dimethylarginine_R1 | 3760785.57 | 3156177.21 | 3700592.70 | 3669991.73 | |
| Asymmetrical dimethylarginine_R2 | 3563049.07 | 2956810.69 | 3597470.93 | 3537977.58 | |
| Betaine/L-Valine/Norvaline_R1 | 9212771.00 | 15863464.95 | 6578968.60 | 9151978.54 | |
| Betaine/L-Valine/Norvaline_R2 | 9330870.49 | 15920261.23 | 7118486.89 | 9325433.00 | |
| Biopterin_R1 | 133716.39 | 332208.29 | 159896.08 | 141774.93 | |
| Biopterin_R2 | 108833.14 | 275157.16 | 128701.02 | 112078.38 | |
| Caffeine_R1 | 122107.97 | 596320.57 | 1837801.46 | 79297.38 | |
| Caffeine_R2 | 112030.64 | 596543.12 | 1855306.83 | 77847.80 | |
| Carnitine_R1 | 10869641.88 | 14213714.21 | 283867.42 | 11304376.97 | |
| Carnitine_R2 | 9600068.76 | 12889507.28 | 15262763.55 | 10193015.40 | |
| Carnosine_R1 | 54529.40 | 8890.96 | 7506.96 | 33886.07 | |
| Carnosine_R2 | 53704.60 | 7095.43 | 6035.96 | 30889.27 | |
| Choline_R1 | 3054976.84 | 3030067.93 | - | 3077674.79 | |
| Choline_R2 | 2866255.90 | 2916940.05 | 3831530.36 | 2905922.16 | |
| cis-4-hydroxy-D-proline | 43206.34 | 19458.16 | 24189.14 | 10047.81 | |
| Citrulline_R1 | 961211.59 | 1146283.49 | 1103253.82 | 945682.23 | |
| Citrulline_R2 | 871680.65 | 1102321.27 | 1086202.51 | 861757.10 | |
| Cortisol | 17100.09 | 15031.85 | 16896.19 | 16388.30 | |
| Cortisol 21-Acetate | 7662.70 | 5610.22 | 15499.36 | 9300.58 | |
| Cortisone | 11375.92 | 17374.94 | 10971.49 | 12672.92 | |
| Cotinine | 20527.85 | 651124.61 | 2197559.93 | - | |
| Cotinine N-oxide | - | 283748.59 | 905224.32 | - | |
| Creatinine | 121092749.51 | 146623341.07 | 151367578.17 | 121204163.15 | |
| Cyclic AMP | 255762.30 | 73777.57 | 278986.72 | 258630.02 | |
| Cyclic AMP (Adenosine 3^,5^-cyclic monophosphate) | 261624.74 | 72744.22 | 285597.45 | 264657.28 | |
| Cyclic GMP_R1 | 70203.95 | 44562.20 | 63036.72 | 71100.51 | |
| Cyclic GMP_R2 | 61833.46 | 38137.50 | 55160.44 | 62520.41 | |
| Cystathionine | 4277.94 | 4392.54 | 5775.03 | 2839.61 | |
| Cytidine 2^,3^-Cyclic Phosphate_R1 | 11554.47 | 34875.68 | 2413.61 | - | |
| Cytidine 2^,3^-Cyclic Phosphate_R2 | 3412.68 | 28158.03 | 1285.05 | 1302.15 | |
| Cytidine_R1 | 98620.58 | 15812.94 | 45223.17 | 30858.95 | |
| Cytidine_R2 | 21292.97 | 10137.38 | 24866.20 | 19446.40 | |
| Cytosine | 252138.79 | 409421.95 | 477345.94 | 249672.31 | |
| Deoxycarnitine_R1 | 590131.97 | 1857330.95 | - | 514918.01 | |
| Deoxycarnitine_R2 | 474988.21 | 1627425.95 | 672740.07 | 467239.57 | |
| Deoxycytidine_R1 | 30080.89 | 25822.02 | 21370.64 | 25666.80 | |
| Deoxycytidine_R2 | 30513.47 | 18358.71 | 25292.00 | 28040.53 | |
| D-Glucuronolactone | 14100.49 | 4436.33 | 5076.60 | 13903.38 | |
| Diethanolamine | 27927.00 | 14538.93 | 21859.14 | 22356.96 | |
| Dihydrobiopterin_R1 | 949396.66 | 422775.12 | 1320375.58 | 915532.13 | |
| Dihydrobiopterin_R2 | 842014.40 | 362711.87 | 1143457.14 | 808125.36 | |
| Dihydrouracil_R1 | 11937.07 | 13249.18 | 11051.04 | 11379.93 | |
| Dihydrouracil_R2 | 11056.70 | 12268.77 | 8385.50 | 10645.44 | |
| Dimethylglycine_R1 | 858842.24 | 867017.05 | 830751.55 | 851995.59 | |
| Dimethylglycine_R2 | 846042.59 | 861565.56 | 817971.05 | 870295.71 | |
| D,L Glucosamine (A) / D,L Galactosamine (A) / D-Mannosamine | 71566.34 | 50369.72 | 72175.66 | 58002.05 | |
| D,L Glucosamine (B) / D,L Galactosamine (B) | 22583.25 | 10948.32 | 13684.84 | 13138.48 | |
| D/L Glucosamine / D/L Galactosamine | 46574.11 | 24979.21 | 29156.91 | 34198.82 | |
| D/L Glucosamine / D/L Galactosamine / D-Mannosamine | 90950.49 | 72994.31 | 89662.87 | 75263.85 | |
| D/L N-Acetylglucosamine (A)_R1 | 343704.57 | 98641.82 | 256796.42 | 346810.12 | |
| D/L N-Acetylglucosamine (A)_R2 | 64466.11 | - | 10688.69 | 66795.08 | |
| D/L N-Acetylglucosamine / D/L N-Acetylgalactosamine / D/L N-... | 431320.06 | 88246.68 | 189550.61 | 444296.14 | |
| D-Mannosamine_R1 | 108572.18 | 69589.28 | 88476.90 | 73660.05 | |
| D-Mannosamine_R2 | 22113.43 | 10317.11 | 14639.50 | 14967.86 | |
| D-Ornithine | 2597.35 | 1840.70 | 1046.61 | 959.16 | |
| Ectoine_R1 | 482932.34 | 531568.79 | 423160.83 | 422268.87 | |
| Ectoine_R2 | 442229.83 | 521362.39 | 419351.49 | 412657.62 | |
| Galactitol_R1 | 455806.15 | 555368.11 | 807478.81 | 459865.13 | |
| Galactitol_R2 | 162962.76 | 209731.88 | 261230.09 | 162080.91 | |
| Galacturonate | 43193.90 | 56791.19 | 68625.15 | 44034.39 | |
| Gamma-aminobutyrate / Aminoisobutanoate / 2-Aminoisobutyrate | 621223.07 | 765386.26 | 284557.85 | 725800.38 | |
| Gluconate | 6659.81 | 6663.04 | 5568.28 | 3348.65 | |
| Glucose | - | 81709.53 | 44163.76 | - | |
| Glutarylcarnitine_R1 | 1015147.16 | 1311200.40 | 108526.55 | 925686.32 | |
| Glutarylcarnitine_R2 | 1017513.44 | 1360857.88 | 1899937.03 | 954815.20 | |
| Glycine_R1 | 131416.70 | 130168.45 | 101740.78 | 133255.26 | |
| Glycine_R2 | 124296.29 | 126090.35 | 96475.92 | 127241.26 | |
| Glycochenodeoxycholate_R1 | 66986.57 | 85288.61 | 56351.50 | 67880.25 | |
| Glycochenodeoxycholate_R2 | 51368.58 | 63918.94 | 34026.93 | 50359.06 | |
| Glycocholate | 43309.01 | 38936.74 | 43314.17 | 38964.42 | |
| Guanidinoacetate_R1 | 12565360.56 | 12535359.94 | 9393608.51 | 12698049.50 | |
| Guanidinoacetate_R2 | 11885133.09 | 11841043.82 | 8750420.81 | 12121202.16 | |
| Guanidinosuccinate_R1 | 714515.44 | 621948.02 | 491152.41 | 580899.70 | |
| Guanidinosuccinate_R2 | 680590.96 | 593937.95 | 470570.74 | 553875.31 | |
| Guanine_R1 | 229748.82 | 44335.25 | 196655.73 | 226881.59 | |
| Guanine_R2 | 79973.38 | 79576.73 | 56594.07 | 66690.43 | |
| Guanosine_R1 | 31008.46 | 22862.17 | 35022.49 | 32151.50 | |
| Guanosine_R2 | 26770.91 | 20052.40 | 31633.63 | 27626.93 | |
| Hippurate_R1 | 4024601.63 | 5363271.02 | 6179668.10 | 4487212.81 | |
| Hippurate_R2 | 3802880.95 | 5088189.08 | 5826906.96 | 4235590.77 | |
| Histamine_R1 | 5814.24 | 6761.82 | 4602.10 | 5073.49 | |
| Histamine_R2 | 5416.32 | 6959.18 | 4151.71 | 5295.46 | |
| Hydroxykynurenine_R1 | 44097.96 | 23478.15 | 42203.68 | 44678.12 | |
| Hydroxykynurenine_R2 | 46077.62 | 23988.98 | 43787.38 | 46652.29 | |
| Hypoxanthine/2-Deoxyinosine_R1 | 6572369.93 | 3650318.21 | 3675006.45 | 6546301.61 | |
| Hypoxanthine/2-Deoxyinosine_R2 | 6344893.38 | 3589718.41 | 3607755.40 | 6388962.96 | |
| Indole-3-Acetamide | 13603.01 | 4559.78 | 9702.26 | 8782.94 | |
| Indole-3-Acetate | 20322.06 | 28142.58 | 23342.81 | 18759.52 | |
| Indole-3-Acetate (B) | 23761.45 | 22080.31 | 21968.46 | 16528.60 | |
| Inosine | 41283.82 | 45061.21 | 34536.70 | 43474.20 | |
| Inosine Monophosphate | - | 14104.74 | 4795.79 | - | |
| Kynurenic acid_R1 | 2923884.95 | 2636639.84 | 2349616.40 | 2914026.77 | |
| Kynurenic acid_R2 | 2680269.96 | 2478722.08 | 2204568.09 | 2672886.67 | |
| Kynurenine_R1 | 156985.13 | 148185.92 | 155916.58 | 134660.99 | |
| Kynurenine_R2 | 138330.06 | 133981.76 | 149144.91 | 120942.31 | |
| Lactose | 123899.56 | 121017.97 | 104197.68 | 130865.85 | |
| L-Arginine_R1 | 64728.10 | 17069.13 | 51417.60 | 49422.15 | |
| L-Arginine_R2 | 64673.46 | 17792.88 | 52011.81 | 49988.34 | |
| Lauroylcarnitine | 10903.84 | 4154.82 | - | 9009.74 | |
| L-Cysteine_R1 | 24909.19 | 5805.02 | 13819.15 | 7564.07 | |
| L-Cysteine_R2 | 29918.97 | 9238.58 | 20246.20 | 9922.13 | |
| L-Cystine_R1 | 55208.09 | 56247.93 | 46619.16 | 50619.91 | |
| L-Cystine_R2 | 44630.31 | 56397.92 | 41476.96 | 42310.77 | |
| L-Glutamic Acid / N-Methyl-D-aspartic acid | 70617.88 | 1263748.56 | 101913.25 | 71768.55 | |
| L-Histidine_R1 | 12480469.02 | 6838830.97 | 6863037.87 | 14182111.59 | |
| L-Histidine_R2 | 11851869.88 | 6525234.94 | 6565981.44 | 13554936.10 | |
| Lipoamide | 1934.94 | 1051.20 | - | - | |
| L-Isoleucine / Norleucine | 283199.75 | 57453.25 | 392349.18 | 311550.34 | |
| L-Leucine | 440151.98 | 137468.03 | 649850.50 | 281921.67 | |
| L-Lysine_R1 | 34064.54 | 18936.54 | 22646.37 | 22643.26 | |
| L-Lysine_R2 | 33174.79 | 18417.68 | 22351.12 | 22698.98 | |
| L-Methionine_R1 | 296944.97 | - | 243945.72 | 206376.76 | |
| L-Methionine_R2 | 213101.04 | 7662.51 | 249385.48 | 204551.60 | |
| L-Phenylalanine_R1 | 813906.17 | 330177.88 | 591353.90 | 542501.53 | |
| L-Phenylalanine_R2 | 768302.42 | 315184.50 | 568118.29 | 520484.21 | |
| L-Proline_R1 | 422616.66 | 588664.90 | 890581.01 | 486839.87 | |
| L-Proline_R2 | 355981.09 | 203969.61 | 305696.47 | 354700.05 | |
| L-Serine_R1 | 628189.86 | 223760.32 | 516580.35 | 588403.27 | |
| L-Serine_R2 | 578417.63 | 212241.27 | 491208.43 | 551428.64 | |
| L-Threonine / Homoserine / Allothreonine_R1 | 1045143.50 | 1157144.19 | 1202349.22 | 1013216.95 | |
| L-Threonine / Homoserine / Allothreonine_R2 | 825029.31 | 851796.55 | 968035.41 | 779908.50 | |
| L-Tyrosine_R1 | 1982747.33 | 1211767.40 | 1890711.51 | 1974324.20 | |
| L-Tyrosine_R2 | 1920610.81 | 1227201.00 | 2017206.18 | 1930206.59 | |
| Lumichrome_R1 | 30377.88 | 18726.96 | 111686.52 | 30297.40 | |
| Lumichrome_R2 | 35254.49 | 17123.09 | 20523.07 | 31258.54 | |
| Malate | 7613.63 | 9156.04 | 7296.50 | 3676.63 | |
| Methylpicolinate | 15047.52 | 9705.20 | 9852.60 | 12611.20 | |
| Methylthioadenosine_R1 | 500770.36 | 44036.27 | 194567.03 | 363165.19 | |
| Methylthioadenosine_R2 | 477510.71 | 55764.14 | 178831.51 | 346496.35 | |
| Mevalolactone | - | 8473.42 | 14053.74 | 6520.10 | |
| N-Acetylasparagine_R1 | 176117.54 | 139939.17 | 111752.31 | 181966.77 | |
| N-Acetylasparagine_R2 | 162526.34 | 133617.91 | 99171.72 | 161567.87 | |
| N-Acetylaspartate_R1 | 199211.26 | 157323.67 | 175850.70 | 157121.49 | |
| N-Acetylaspartate_R2 | 135894.75 | 105541.61 | 121569.47 | 107413.12 | |
| N-Acetylcysteine | 15157.12 | 22111.39 | 46739.82 | 11527.13 | |
| N-Acetylglutamate_R1 | 168817.78 | 167285.23 | 199062.22 | 130973.68 | |
| N-Acetylglutamate_R2 | 127857.92 | 126467.66 | 148610.62 | 99918.97 | |
| N-Acetylmethionine_R1 | 70167.90 | 49484.53 | 15619.96 | 56910.90 | |
| N-Acetylmethionine_R2 | 61176.47 | 38430.70 | 31071.23 | 55765.39 | |
| N-Acetylneuraminate_R1 | 1653243.24 | 1408809.57 | 1799723.79 | 1673772.99 | |
| N-Acetylneuraminate_R2 | 698549.52 | 604939.54 | 766749.18 | 665578.43 | |
| N-Acetylphenylalanine | 35253.92 | 53417.73 | 56133.00 | 34019.61 | |
| N-Acetylproline_R1 | 157401.85 | 212668.77 | 158121.74 | 151554.19 | |
| N-Acetylproline_R2 | 100386.65 | 75944.28 | 69523.24 | 80386.29 | |
| N-Acetylputrescine_R1 | 824638.16 | 623606.82 | 809853.72 | 829653.04 | |
| N-Acetylputrescine_R2 | 800258.42 | 607805.50 | 788889.01 | 806405.46 | |
| N-Acetylserine_R1 | 162338.62 | 175694.58 | 215167.52 | 142134.41 | |
| N-Acetylserine_R2 | 174583.20 | 152603.36 | 207632.78 | 124575.03 | |
| N-Acetyltryptophan_R1 | 84791.09 | 56848.99 | 28344.44 | 87172.19 | |
| N-Acetyltryptophan_R2 | 101305.28 | 42157.38 | 30400.97 | 86924.28 | |
| N-Alpha-Acetyllysine_R1 | 521480.14 | 490223.03 | 522447.13 | 493790.48 | |
| N-Alpha-Acetyllysine_R2 | 509908.73 | 474663.09 | 505114.53 | 477085.29 | |
| Nicotinamide | 52888.29 | - | 70634.90 | 50818.17 | |
| Nicotine-1-N-oxide | 33369.72 | 186715.19 | 916219.02 | - | |
| Nicotinic acid_R1 | 12726.14 | 156018.61 | - | 4040.43 | |
| Nicotinic acid_R2 | 19353.32 | 153228.01 | - | 2528.56 | |
| N-Methylglutamate_R1 | 129710.10 | 102877.19 | 55439.10 | 103540.04 | |
| N-Methylglutamate_R2 | 125259.31 | 97599.93 | 50289.13 | 95318.26 | |
| N-Methyltryptamine_R1 | 116366.65 | 219696.09 | 165968.84 | 106599.63 | |
| N-Methyltryptamine_R2 | 123337.80 | 222378.90 | 177471.62 | 107794.12 | |
| N,N,N-Trimethyllysine_R1 | 509072.19 | 709533.97 | 760468.08 | 516070.05 | |
| N,N,N-Trimethyllysine_R2 | 495722.93 | 696193.96 | 750600.37 | 506779.18 | |
| Norcotinine | 1376.87 | 4677.71 | 35924.90 | - | |
| O-Acetylcarnitine | 8361768.52 | 10430084.08 | 34065.17 | 9253856.79 | |
| Octopamine_R1 | 18440.35 | 16976.78 | 47467.02 | 9564.56 | |
| Octopamine_R2 | 17635.59 | 10521.07 | 16628.03 | 13405.75 | |
| Ophthalmate | 15907.00 | 10449.44 | - | 8519.89 | |
| Ornithine | 2601.12 | 1862.31 | 1115.89 | 861.69 | |
| Orotate | 9402.66 | 7102.59 | 6092.21 | 8928.08 | |
| Pantothenate_R1 | 1603418.25 | 1057549.35 | 784084.22 | 1660653.57 | |
| Pantothenate_R2 | 1433054.08 | 951534.00 | 721924.99 | 1496949.42 | |
| Paraxanthine | 2324050.37 | 4282420.53 | 7934399.79 | 2132786.01 | |
| Paraxanthine / Theobromine /Theophylline | 2269916.30 | 4381930.56 | 8111810.19 | 2189582.48 | |
| Phenol_R1 | 189090.58 | 252984.29 | 304625.39 | 213091.85 | |
| Phenol_R2 | 181536.15 | 247419.53 | 293760.79 | 203514.57 | |
| Phenylacetylglutamine_R1 | 22537861.91 | 26193687.21 | 23124181.53 | 23599034.37 | |
| Phenylacetylglutamine_R2 | 20148651.87 | 22486425.14 | 20124703.63 | 21044867.48 | |
| Phenylethanolamine | 90228.71 | 92893.25 | 104440.45 | 98522.46 | |
| Phenylglycine | 35587.29 | 47241.83 | 60542.18 | 14040.31 | |
| Pipecolate | 261550.64 | 425899.10 | 188110.77 | 332625.67 | |
| Pro-Gly_R1 | 959850.30 | 70055.90 | 133560.48 | 814076.73 | |
| Pro-Gly_R2 | 969503.22 | 118595.48 | 307552.47 | 893735.72 | |
| Pterin_R1 | 129849.84 | 86529.07 | 106459.24 | 145447.75 | |
| Pterin_R2 | 134166.46 | 82704.62 | 93962.58 | 138191.51 | |
| Pyroglutamate_R1 | 3466401.55 | 4346106.22 | 4100741.20 | 3548459.58 | |
| Pyroglutamate_R2 | 3358775.91 | 4331873.11 | 4051731.07 | 3454093.13 | |
| Raffinose_R1 | 16219.57 | 7147.07 | 7276.42 | 11304.05 | |
| Raffinose_R2 | 14956.82 | 6037.57 | 11921.02 | 11529.48 | |
| Riboflavin_R1 | 601669.80 | 205336.26 | 144018.47 | 586038.43 | |
| Riboflavin_R2 | 584801.36 | 207992.33 | 144612.44 | 558285.92 | |
| S-Adenosylhomocysteine_R1 | 6557.05 | - | 11999.70 | 5744.69 | |
| S-Adenosylhomocysteine_R2 | 4153.97 | - | 8309.71 | 4035.54 | |
| Sarcosine | 357640.57 | 474468.63 | 87221.29 | 425468.13 | |
| S-Carboxymethylcysteine | 33178.91 | 51955.93 | 99188.89 | 33913.31 | |
| Sepiapterin_R1 | 16736.25 | 76165.43 | 19645.38 | 16611.62 | |
| Sepiapterin_R2 | 8375.33 | 62673.72 | 11488.93 | 8195.70 | |
| Succinate_R1 | 35754.61 | 26366.00 | 24847.97 | 36530.78 | |
| Succinate_R2 | 32772.95 | 23582.50 | 25527.17 | 33626.21 | |
| Sucrose | 186108.46 | 143202.06 | 153359.84 | 215313.45 | |
| Sucrose / Trehalose | 187804.22 | 138124.19 | 150261.47 | 231403.37 | |
| Taurine_R1 | 3100579.17 | 3840876.38 | 3376332.16 | 3241507.39 | |
| Taurine_R2 | 13878.16 | 14048.04 | 12956.92 | 14099.26 | |
| Thiopurine S-Methylether | 2184.91 | 1899.95 | 1933.19 | 1966.30 | |
| Thymine_R1 | 13390.42 | 13937.19 | 7698.71 | 12666.49 | |
| Thymine_R2 | 14215.75 | 13091.73 | 6694.85 | 12634.74 | |
| trans-3-hydroxycotinine | 13310.73 | 2069370.12 | 5452446.18 | - | |
| Trehalose | 173804.73 | 133154.44 | 144787.79 | 206463.21 | |
| Trigonelline_R1 | 6391461.24 | 18154127.08 | 35228735.05 | 5662248.66 | |
| Trigonelline_R2 | 6159526.11 | 17521220.07 | 33967128.33 | 5602330.52 | |
| Trimethylamine_R1 | 11857.07 | 11306.20 | 15320.76 | 11052.90 | |
| Trimethylamine_R2 | 10530.92 | 12687.11 | 13556.47 | 9524.14 | |
| Tryptamine | 354278.77 | 616971.31 | 15811.35 | 495927.10 | |
| Tryptophan | 231558.17 | 167256.17 | 151586.64 | 123608.93 | |
| Uracil_R1 | 66345.42 | 43342.65 | 38346.14 | 65400.87 | |
| Uracil_R2 | 64974.14 | 43697.05 | 37632.08 | 64950.53 | |
| Ureidopropionate_R1 | 167016.24 | 171411.89 | 168085.31 | 164550.56 | |
| Ureidopropionate_R2 | 79058.83 | 81015.61 | 78079.18 | 81136.02 | |
| Uric acid_R1 | 11751573.63 | 13894689.16 | 16642426.11 | 9346044.91 | |
| Uric acid_R2 | 11442745.54 | 13528436.17 | 16226493.82 | 8843767.44 | |
| Uridine Monophosphate | 11785.22 | 8208.68 | 15735.47 | 11659.73 | |
| Xanthine_R1 | 1994814.52 | 1276674.11 | 1365434.67 | 1949221.36 | |
| Xanthine_R2 | 1952838.54 | 1244478.03 | 1351002.57 | 1907836.45 | |
| Xanthosine_R1 | 159699.69 | 169243.27 | 145433.10 | 166917.52 | |
| Xanthosine_R2 | 131074.10 | 141169.10 | 124705.76 | 136269.05 | |
| Xanthurenate | 366186.59 | 385015.99 | 340708.94 | 342132.12 |
Factors:
| F1 | Analysis type:CHEAR 2016-1407 Study Sample |
| F2 | Analysis type:CHEAR Pooled Urine |
| F3 | Analysis type:NIST Smoker''s Urine |
| F4 | Analysis type:Study Pooled QC |
