Data for ST002471
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-cis-Retinoic acid | 45519.75 | 12688.45 | 19241.31 | 8609.75 | 210377.50 | 36096.85 | 10521.45 | 34753.00 | 20062.50 | 19981.50 | |
| 1-Methyladenosine | 3657.36 | 1409.00 | 2396.44 | 2929.25 | 3149.00 | 4726.14 | 2167.36 | 377.50 | 3683.50 | 6054.50 | |
| 1-Methylguanine | 922128.40 | 4795150.25 | 875706.24 | 3751045.00 | 570393.00 | 1088889.93 | 1122295.90 | 550993.50 | 1512307.00 | 22114.50 | |
| 1-Methylguanosine | 8008.50 | 29731.83 | 6806.06 | 6082.50 | 13657.00 | 4340.64 | 7349.91 | 8374.50 | 6741.00 | 4937.00 | |
| 1-Methylhistamine | 623240.25 | 1831047.58 | 675169.00 | 592455.75 | 1661698.00 | 1510407.14 | 1771648.73 | 2540925.00 | 816757.50 | 336204.50 | |
| 1-Methyl nicotinamide | 2667.25 | 32806.52 | 8303.92 | 12168.25 | 72271.00 | 9613.45 | 9699.44 | 8048.00 | 18420.50 | 3019.00 | |
| 2-Aminobenzoic acid | 12501.17 | 18774.61 | 22101.80 | 7784.00 | - | 19627.17 | 14734.83 | 460.50 | - | 490.50 | |
| 3-Dehydroxycarnitine | 3548365.08 | 2424694.08 | 4329197.78 | 3965622.75 | 10967600.50 | 7521838.07 | 6731281.82 | 5276677.50 | 2771996.00 | 1329768.00 | |
| 3-Guanidinopropanoic acid | 2216.75 | 1969.52 | 3189.56 | 2015.50 | 1402.50 | 2157.86 | 4493.36 | 811.50 | 2299.50 | 1324.00 | |
| 3-hydroxynorvaline | 2295.00 | 2592.26 | 3791.33 | 4964.25 | 8304.00 | 5813.36 | 4861.27 | 2427.00 | 2332.50 | 1038.00 | |
| 3-Methoxytyramine | 2561.92 | 7836.38 | 7781.33 | 10662.00 | 56844.00 | 9636.43 | 37168.55 | 194.00 | 1972.50 | 428.50 | |
| 3-Methylhistidine | 20451.50 | 16666.57 | 33090.17 | 19808.00 | 28578.00 | 18335.36 | 47184.55 | 56030.50 | 28763.00 | 3436.50 | |
| 3-Methylxanthine | 53815.92 | 27712.21 | 88669.11 | 62637.50 | 117873.00 | 90273.93 | 45797.91 | 43239.50 | 58555.50 | 18991.50 | |
| 3-(N-Acetyl-L-cystein-S-yl) acetaminophen | 3341.50 | 115669.00 | 10417.82 | 1675.00 | 307.50 | 9021.29 | 47384.73 | 2886.00 | 2227.50 | 51153.00 | |
| 4-Acetamidobutanoic acid | 15691.67 | 13086.21 | 27152.72 | 12794.00 | 79568.00 | 21583.43 | 16975.18 | 11276.50 | 25542.50 | 10932.00 | |
| 4-Guanidinobutanoic acid | 7079.50 | 8110.38 | 14721.89 | 5509.25 | 25293.00 | 8735.86 | 12721.82 | 4539.50 | 28318.50 | 3083.50 | |
| 4-Pyridoxic acid | 85091.58 | 34272.79 | 145143.22 | 204374.25 | 98887.00 | 178526.00 | 119382.00 | 65302.50 | 162955.00 | 38888.50 | |
| 5-(2-Hydroxyethyl)-4-methylthiazole | 26438.83 | 13048.96 | 26587.44 | 23753.25 | 30756.00 | 47385.43 | 10454.45 | 595.00 | 11239.50 | 41397.50 | |
| 5-Acetylamino-6-amino-3-methyluracil | 5162.55 | 5041.00 | 6554.19 | 5094.50 | 6267.00 | 5357.57 | 3477.90 | 492.50 | 16672.50 | 3627.50 | |
| 5-Amino-levulinic acid | 1218336.58 | 8296024.12 | 2852725.44 | 7542505.00 | 3403001.50 | 5851131.93 | 5257961.82 | 4197087.00 | 1576654.50 | 2206332.50 | |
| 5-Hydroxyindoleacetic acid | 21161.09 | 4877.05 | 27439.94 | 31133.25 | 57490.50 | 17553.36 | 18825.55 | 22393.50 | 12862.00 | 12539.00 | |
| 5-Hydroxymethyl-4-methyluracil | 1214.83 | 815.09 | 864.83 | 220.00 | 2539.00 | 619.58 | 532.10 | 1930.50 | 209.50 | 585.00 | |
| 5-hydroxytryptophan | 4052.17 | 9824.00 | 2055.61 | 3787.75 | 456.50 | 3250.86 | 5028.73 | 4020.00 | 328.00 | 4568.50 | |
| 5-Methylcytosine | 782.58 | 1008.52 | 1519.35 | 899.25 | 4046.50 | 3889.86 | 2518.36 | 3163.50 | 119.00 | 225.00 | |
| 7-Methyladenine | 1100.00 | 585.50 | 1071.69 | 1250.00 | 637.00 | 1342.08 | 516.70 | 17.00 | 2088.50 | 134.50 | |
| 7-Methylguanine | 183148.33 | 177398.46 | 252256.61 | 277813.75 | 431699.50 | 254685.93 | 213145.27 | 156102.00 | 140775.00 | 48185.50 | |
| 7-Methylxanthine | 26797.00 | 15808.62 | 27722.73 | 50206.50 | 8009.00 | 36944.14 | 19728.82 | 14949.50 | 5933.00 | 985.50 | |
| Acetaminophen | 3180.92 | 48525.33 | 31319.72 | 1587.25 | 1286.50 | 6071.86 | 25252.09 | 1465.00 | 7422.50 | 8189.00 | |
| Acetylcholine | 227476.00 | 60768.48 | 212414.83 | 135143.75 | 57416.50 | 161149.50 | 122365.27 | 36372.00 | 396120.50 | 22922.00 | |
| Acisoga | 39952.58 | 51612.09 | 23903.61 | 37876.75 | 795444.50 | 19454.29 | 42416.27 | 40079.00 | 16277.00 | 13322.50 | |
| Adenosine | 533875.50 | 18949.33 | 23556.78 | 18217.75 | 59014.50 | 28049.50 | 16078.55 | 16102.50 | 4094.50 | 2436.50 | |
| Agmatine | 23682.00 | 53683.22 | 235324.00 | 1596.25 | 8528.50 | 3663.79 | 17791.45 | 21164.50 | 1559.50 | 1891.00 | |
| Ala-Ala | 36434.42 | 40731.75 | 28453.61 | 25758.25 | 33368.50 | 15236.07 | 30848.91 | 24760.00 | 17827.50 | 11147.00 | |
| Ala-Arg | 19436.67 | 9287.35 | 2767.67 | 5536.50 | 2741.00 | 2001.71 | 2907.09 | 12002.50 | 1136.50 | 2537.00 | |
| Ala-Gln | 10206.22 | 19199.31 | 3318.62 | 6954.50 | 3572.00 | 1309.50 | 2354.43 | 4487.50 | - | 342.00 | |
| Ala-Glu | 44408.08 | 58491.74 | 26121.56 | 28856.25 | 15902.50 | 10821.50 | 17136.64 | 24560.50 | 1573.00 | 19486.00 | |
| Ala-His | 59202.78 | 54592.31 | 2340.30 | 6324.50 | 535.00 | 1704.29 | 6647.11 | 7343.00 | 13.00 | 3692.00 | |
| Ala-Ile | 93126.42 | 121867.62 | 44361.83 | 43733.00 | 70827.50 | 16700.50 | 44174.18 | 52410.50 | 12535.50 | 22514.00 | |
| Ala-Lys | 33310.75 | 53523.78 | 15125.33 | 25222.25 | 18280.50 | 4637.71 | 15057.09 | 24658.00 | 1485.00 | 3205.50 | |
| Ala-Met | 15125.00 | 5928.46 | 4109.72 | 3778.00 | 2718.00 | 2753.25 | 1616.30 | 4093.50 | 1420.00 | 615.50 | |
| Alanine | 87353.17 | 172332.58 | 81243.22 | 61659.00 | 79485.50 | 73198.14 | 112703.45 | 45835.00 | 83976.00 | 130404.00 | |
| Ala-Phe | 7534.00 | 5534.55 | 9717.28 | 15644.75 | 25797.50 | 11580.43 | 11032.18 | 7289.50 | 14862.50 | 290.50 | |
| Ala-Thr/Thr-Ala | 12092.91 | 16576.57 | 3837.44 | 5760.00 | 9274.50 | 1319.38 | 4229.82 | 5178.00 | 453.00 | 1773.00 | |
| alpha-N-Phenylacetylglutamine | 15159.67 | 155961.00 | 43845.06 | 147859.75 | 1877100.00 | 198334.71 | 221346.91 | 632166.50 | 2129.50 | 7724.50 | |
| alpha-Tocopherol | 235763.67 | 154926.35 | 225931.17 | 146344.75 | 104216.00 | 205551.64 | 164692.27 | 123782.50 | 193215.00 | 370738.00 | |
| Aminoisobutyric acid | 2633865.50 | 4138878.92 | 1334805.92 | 2106575.75 | 1145915.00 | 1536165.64 | 6030338.00 | 2994625.50 | 460131.00 | 2983416.50 | |
| Anserine | 4591.11 | 6773.62 | 32329.94 | 6203.75 | 18257.00 | 6025.46 | 53698.50 | 13732.00 | 3411.00 | 945.00 | |
| Arginine | 715738.25 | 1605935.71 | 374609.78 | 389385.25 | 1048585.00 | 260126.86 | 501802.55 | 360213.50 | 348779.50 | 500303.50 | |
| Arg-Leu | 87590.33 | 24044.42 | 4091.88 | 14748.50 | 6699.00 | 1148.36 | 5560.90 | 11488.00 | 257.00 | 1891.00 | |
| Arg-Met | 18728.12 | 28654.69 | 120.60 | 859.67 | 28.00 | 214.00 | 4496.14 | 2281.00 | - | - | |
| Arg-Phe | 298329.14 | 528656.43 | 344.75 | 2143.67 | 500429.00 | 8037.00 | 206013.38 | 1501.00 | - | - | |
| Arg-Pro | 30666.83 | 61095.57 | 27145.11 | 17511.50 | 37880.00 | 15459.00 | 33087.36 | 23490.00 | 7001.00 | 8038.00 | |
| Asn-Ala | 3936.25 | 10069.29 | 4097.22 | 2191.75 | 8865.00 | 1309.77 | 7827.80 | 6121.50 | 349.50 | 2843.50 | |
| Asn-Arg | 17727.80 | 13604.44 | 2596.70 | 6613.00 | 5176.00 | 1627.86 | 4495.33 | 1398.00 | 58.00 | 152.00 | |
| Asn-Phe | 584.09 | 634.22 | 222.15 | 195.67 | 271.50 | 61.58 | 169.11 | - | - | - | |
| Asn-Val | 16834.73 | 37923.41 | 9099.06 | 5691.67 | 20841.50 | 5181.43 | 12325.27 | 7653.00 | 1701.00 | 12557.00 | |
| Asparagine | 23235.08 | 147656.22 | 21283.50 | 9901.00 | 30060.50 | 27118.43 | 49122.73 | 46185.50 | 23661.50 | 26085.00 | |
| Aspartic acid | 45372.92 | 109861.30 | 43997.00 | 31139.75 | 56222.50 | 36522.71 | 60208.45 | 68869.00 | 83759.00 | 88482.00 | |
| Asp-Val | 12407.25 | 32285.33 | 12135.50 | 6196.00 | 15936.50 | 7423.86 | 12761.09 | 6534.50 | 56044.00 | 14165.50 | |
| Atenolol | 37568.42 | 9593.90 | 32407.65 | 43373.50 | 11824.50 | 41637.29 | 152887.00 | 26995.50 | 15213.50 | 3660.00 | |
| beta-Alanine | 4253924.33 | 6850300.75 | 3804940.44 | 2683646.00 | 5966708.00 | 4254536.64 | 6385430.00 | 3418160.50 | 1705375.00 | 2719348.00 | |
| Betaine | 501665.33 | 973904.75 | 417237.44 | 355249.50 | 594925.00 | 392792.79 | 473460.82 | 464810.50 | 212807.00 | 910417.50 | |
| Bilirubin | 625086.00 | 187719.36 | 554915.78 | 523693.00 | 88862.00 | 795867.64 | 1354616.00 | 1414903.00 | 472615.50 | - | |
| Biliverdin | 311763.00 | 617799.14 | 251956.56 | 138344.25 | 202853.00 | 343305.86 | 503700.09 | 278351.50 | 118002.50 | 323658.50 | |
| Biotin | 45286.75 | 60658.62 | 127652.39 | 45047.75 | 68792.50 | 37173.86 | 66041.09 | 6704.50 | 25053.00 | 21118.50 | |
| C16 Sphinganine | 29363.17 | 19184.39 | 22000.00 | 15030.00 | 37884.00 | 30879.57 | 16237.82 | 8808.00 | 28977.50 | 34660.00 | |
| C16 Sphingosine | 12940.17 | 13848.62 | 6678.44 | 6615.75 | 23463.50 | 19799.79 | 6608.27 | 2917.00 | 10909.50 | 15770.50 | |
| C17 Sphinganine | 14697152.00 | 23260534.67 | 13440729.22 | 14144709.50 | 20214764.00 | 13798988.36 | 13983530.27 | 12187720.00 | 8772658.00 | 15592282.00 | |
| C20 Sphinganine | 99311.42 | 115105.30 | 97966.06 | 76275.50 | 85692.50 | 124359.93 | 85370.82 | 67039.50 | 86167.50 | 79492.50 | |
| C20 Sphingosine | 68672.42 | 42578.26 | 73013.39 | 49662.00 | 24416.50 | 63280.29 | 53751.18 | 21971.50 | 140652.00 | 33410.00 | |
| C22 Sphingosine | 1650.75 | 1154.43 | 1478.06 | 30.50 | 22.50 | 600.79 | 194.27 | 4614.50 | 3225.00 | 5326.00 | |
| Cadaverine | 140077.33 | 202040.87 | 107894.89 | 113805.25 | 190883.00 | 108723.71 | 123352.09 | 15764.50 | 1464.00 | 4135.50 | |
| Caffeine | 2018.00 | 793.75 | 878.94 | 1053.25 | 1059.50 | 813.62 | 1269.82 | 444.00 | 358.00 | 520.50 | |
| CAR 10:1 | 6421.75 | 46262.38 | 8725.56 | 483.00 | 22272.00 | 24648.00 | 38883.29 | 13837.50 | - | 4104.00 | |
| CAR 10:2 | 13287.50 | 7637.47 | 2258.67 | 1976.00 | 5817.00 | 18128.70 | 10336.67 | 10078.00 | 5650.00 | 4928.00 | |
| CAR 12:0 | 352.25 | 721.94 | 44.29 | 29.00 | 64.00 | 1035.62 | 1537.67 | 2007.50 | - | - | |
| CAR 12:1 | 3775.00 | 4051.56 | 989.40 | 263.50 | 348.00 | 21520.75 | 18148.75 | 17501.50 | - | 3209.00 | |
| CAR 13:0 | 5248.25 | 9585.39 | 1194.11 | 395.50 | 192.00 | 15110.38 | 16976.50 | 43159.00 | 24.00 | 2180.00 | |
| CAR 14:0 | 6515.18 | 18011.24 | 4401.94 | 5659.00 | 7317.50 | 11255.23 | 16868.00 | 11617.50 | 477.00 | 428.00 | |
| CAR 14:1 | 2131.08 | 3806.00 | 1174.22 | 868.50 | 1279.50 | 4980.29 | 16322.55 | 8547.00 | 490.00 | 250.00 | |
| CAR 14:2 | 783.75 | 904.36 | 291.06 | 207.50 | 393.00 | 881.50 | 1550.18 | 978.50 | 149.00 | 54.00 | |
| CAR 16:0 | 36437.50 | 71785.13 | 23461.33 | 39422.25 | 42624.50 | 41477.21 | 40101.09 | 38424.50 | 2519.00 | 17269.00 | |
| CAR 18:0 | 65903.00 | 62678.57 | 37143.89 | 32008.50 | 43305.00 | 46645.93 | 47619.45 | 31470.50 | 36045.50 | 43012.50 | |
| CAR 18:1 | 27697.50 | 46378.55 | 19315.24 | 15233.25 | 22887.00 | 22091.50 | 30624.18 | 22872.50 | 4927.50 | 7863.50 | |
| CAR 18:2 | 7133.10 | 14680.16 | 4639.60 | 5654.50 | 2846.50 | 5550.92 | 8793.90 | 6453.00 | 813.50 | 211.00 | |
| CAR 2:0 | 101426.83 | 645511.46 | 37129.44 | 17382.00 | 60219.00 | 24373.43 | 1093813.45 | 894843.00 | 1381.00 | 7466.50 | |
| CAR 20:0 | 16553.27 | 12533.48 | 7929.71 | 5866.25 | 18362.50 | 12096.50 | 14424.18 | 4031.00 | 31606.00 | 12241.00 | |
| CAR 20:4 | 301331.92 | 118661.44 | 389606.31 | 292704.75 | 753866.00 | 320984.29 | 332421.82 | 42279.00 | 264825.00 | 35689.00 | |
| CAR 3:0 | 3092.56 | 69469.07 | 1766.88 | 1948.00 | 4166.00 | 2619.69 | 46512.27 | 55352.50 | 96.00 | - | |
| CAR 4:0 | 7730.33 | 100880.89 | 21213.07 | 2095.00 | 41208.50 | 24566.54 | 375560.73 | 229282.00 | 68.50 | 136.00 | |
| CAR 4:0;OH | 6560.83 | 16048.26 | 21738.67 | 859.50 | 5103.00 | 110589.75 | 31154.88 | 24914.00 | - | 709.00 | |
| CAR 5:0 | 3666.70 | 47293.35 | 23423.36 | 345.50 | 27292.00 | 27641.67 | 101636.18 | 31300.00 | - | 4306.00 | |
| CAR 5:1 | 46.17 | 1612.83 | 448.86 | 4.00 | 1589.00 | 1009.00 | 1575.12 | - | - | - | |
| CAR 8:0 | 1471.75 | 15020.14 | 1139.60 | 115.50 | 23820.00 | 1305.50 | 20702.71 | 1055.00 | 41.00 | 88.00 | |
| CAR 9:0 | 12966.17 | 15559.32 | 4734.00 | 996.67 | 43781.00 | 46602.29 | 31815.83 | 9897.00 | 190.00 | 1141.00 | |
| CAR DC3:0;2Me | 4066.50 | 10271.95 | 8369.50 | 952.50 | 75917.00 | 103957.70 | 77872.12 | 35156.00 | 20390.00 | 5841.00 | |
| CAR DC5:0 | 3405.42 | 12256.18 | 5010.78 | 2172.00 | 61096.50 | 11578.36 | 5639.45 | 4205.00 | 3243.50 | 1511.00 | |
| CAR DC6:0 | 835.75 | 2978.27 | 632.50 | 197.50 | 205.50 | 297.75 | 231.78 | 19761.00 | 1293.50 | 9166.00 | |
| Carnitine | 370180.58 | 2037388.83 | 252017.94 | 176450.25 | 923149.00 | 359479.71 | 1390322.09 | 2471223.00 | 178279.50 | 972325.00 | |
| Carnosine | 63850.55 | 87395.14 | 5089.25 | 5097.50 | 2904.00 | 4436.36 | 22626.60 | 7213.50 | 338.00 | 40112.00 | |
| Cer 18:1;O2/14:0 | 31479.09 | 22734.32 | 15229.50 | 16271.25 | 19743.50 | 27992.36 | 13346.00 | 3701.00 | 9846.50 | 11362.50 | |
| Cer 18:1;O2/14:1 | 6811.00 | 4064.00 | 8627.80 | 13109.67 | 84.00 | 2126.80 | 9766.25 | - | 16009.00 | 5131.00 | |
| Cer 18:1;O2/15:0 | 28243.55 | 15239.95 | 12194.94 | 10462.00 | 9727.00 | 22700.85 | 12670.64 | 2593.00 | 17102.50 | 4675.50 | |
| Cer 18:1;O2/16:0 | 615154.67 | 524310.78 | 333795.00 | 380760.50 | 475868.00 | 509348.43 | 384804.27 | 230780.00 | 203360.00 | 357685.00 | |
| Cer 18:1;O2/16:1 | 109189.91 | 59615.08 | 43443.17 | 70508.75 | 53308.00 | 54177.86 | 51348.36 | 17445.50 | 29231.00 | 39160.50 | |
| Cer 18:1;O2/16:2 | 23168.10 | 12301.94 | 21108.00 | 23731.00 | 24477.00 | 14824.83 | 23759.22 | 3262.00 | 8432.00 | 754.00 | |
| Cer 18:1;O2/17:0 | 22646.73 | 16284.30 | 14639.24 | 9795.50 | 12193.50 | 23881.50 | 14953.27 | 1729.50 | 13839.50 | 5857.50 | |
| Cer 18:1;O2/17:1 | 6588.11 | 5165.12 | 2033.50 | 1467.33 | 557.00 | 3301.78 | 2071.00 | - | 5922.00 | - | |
| Cer 18:1;O2/18:0 | 104147.82 | 75103.43 | 107144.33 | 73393.75 | 54149.00 | 91598.71 | 100451.45 | 19321.00 | 95488.50 | 46850.50 | |
| Cer 18:1;O2/18:1 | 100580.55 | 76914.32 | 49640.00 | 34611.25 | 48510.00 | 58417.43 | 48211.91 | 13405.50 | 48600.50 | 57280.50 | |
| Cer 18:1;O2/18:2 | 29464.64 | 32765.32 | 15757.61 | 10946.50 | 26781.50 | 16720.79 | 17918.82 | 5462.50 | 13799.50 | 36447.00 | |
| Cer 18:1;O2/19:0 | 1514.00 | 2157.00 | 2217.38 | 650.67 | 1525.00 | 3602.15 | 1832.18 | - | 3023.50 | 164.00 | |
| Cer 18:1;O2/2:0 | 1412.45 | 2574.18 | 2408.07 | 667.00 | 1364.00 | 5213.27 | 4796.75 | 1599.00 | 1603.00 | 2323.00 | |
| Cer 18:1;O2/20:0 | 11412.73 | 14961.13 | 17474.11 | 13695.00 | 6633.50 | 16466.71 | 12950.18 | 1159.00 | 14873.50 | 5329.50 | |
| Cer 18:1;O2/20:1 | 12547.50 | 7349.91 | 6252.87 | 2762.75 | 2680.00 | 5749.07 | 4287.73 | - | 11226.00 | 3257.00 | |
| Cer 18:1;O2/20:2 | 15690.12 | 4818.28 | 7702.62 | 7918.25 | 8286.00 | 3207.58 | 2973.44 | 324.00 | 2633.50 | 976.50 | |
| Cer 18:1;O2/22:0 | 22846.75 | 33121.35 | 27871.72 | 31728.50 | 30125.00 | 32621.43 | 25597.18 | 5211.50 | 13893.50 | 16913.00 | |
| Cer 18:1;O2/22:2 | 9980.56 | 3941.68 | 4349.50 | 3531.67 | 822.00 | 6551.50 | 2124.71 | 165.00 | 4037.00 | 504.00 | |
| Cer 18:1;O2/24:0 | 59809.55 | 62516.65 | 24671.56 | 35805.50 | 62475.50 | 31291.57 | 40067.36 | 9232.00 | 11968.00 | 21725.50 | |
| Cer 18:1;O2/24:1 | 164849.25 | 164531.30 | 74790.67 | 110584.50 | 111132.00 | 132286.64 | 88850.73 | 77731.00 | 48428.00 | 76706.50 | |
| Cer 18:1;O2/4:0 | 13803.50 | 12470.50 | 5941.33 | 6527.75 | 25820.50 | 8056.07 | 12120.73 | 6685.00 | 3793.50 | 6321.50 | |
| Cerulenin | 4043.30 | 3894.43 | 2168.00 | 3127.50 | 1448.50 | 1889.50 | 1947.91 | 373.50 | 479.50 | 10834.00 | |
| Cholestenone | 200345.92 | 152522.39 | 574318.50 | 494846.00 | 19678.00 | 245926.29 | 292811.36 | 7227.50 | 623733.50 | 154497.00 | |
| Choline | 2991366.58 | 4876392.04 | 1381718.78 | 1497190.25 | 2204590.00 | 842563.29 | 2679316.18 | 2683796.00 | 471481.00 | 3529780.00 | |
| Choline phosphate | 5687864.50 | 1615954.10 | 816784.69 | 1427929.00 | 1520467.50 | 603626.36 | 2186253.91 | 2382790.50 | - | 1235050.00 | |
| Cinnamoylglycine | 10801.56 | 8248.50 | 8460.41 | 3460.50 | 42227.00 | 8222.00 | 5346.09 | 1569.00 | 4470.00 | 7315.50 | |
| Citrulline | 467026.33 | 921839.26 | 458703.11 | 322605.75 | 198345.00 | 432389.64 | 665637.36 | 304444.50 | 490597.50 | 786131.50 | |
| Creatine | 642153.25 | 997358.33 | 336823.28 | 261972.00 | 400619.00 | 441392.64 | 603036.45 | 1014481.00 | 3342.50 | 165364.50 | |
| Creatinine | 469879.42 | 1998687.92 | 496662.89 | 1277031.50 | 6126975.00 | 1382562.00 | 1194085.45 | 3449628.00 | 6207.00 | 70940.50 | |
| Cryptoxanthin | 75640.91 | 22922.00 | 97480.06 | 59035.25 | 46713.00 | 81595.21 | 79783.73 | 44567.00 | 73616.50 | 6221.50 | |
| Cytidine | 8237.09 | 3649.23 | 27712.61 | 63925.33 | 66929.50 | 25539.14 | 8423.73 | 836.50 | 3914.50 | 1060.50 | |
| Cytosine | 9105.67 | 4354.54 | 12278.61 | 8553.00 | 30613.00 | 24254.36 | 9463.91 | 1869.50 | 5936.00 | 1233.50 | |
| Daidzein | 50317.67 | 164864.78 | 90349.31 | 12801.00 | 3576.00 | 12377.77 | 16357.00 | 54808.50 | 10003.50 | 6226.50 | |
| D-alpha-tocopherylquinone | 6694.09 | 4505.36 | 6219.88 | 2862.50 | 5705.50 | 11147.86 | 4086.64 | 4308.00 | 5139.00 | 4298.50 | |
| Deoxyadenosine | 72367.25 | 16175.08 | 20898.33 | 13633.00 | 3523.50 | 11378.29 | 7666.18 | 3710.00 | 1171.50 | 2177.00 | |
| Deoxycytidine | 2144.09 | 2472.32 | 5267.17 | 6995.50 | 6480.00 | 4463.14 | 6657.10 | 899.50 | 2219.50 | 1575.00 | |
| DG 34:1 | 51941.42 | 21149.48 | 129105.89 | 195871.25 | 552594.50 | 118761.36 | 48472.73 | 261305.50 | 51930.50 | 21421.50 | |
| DG 34:2 | 16315.00 | 7547.25 | 43191.18 | 84120.50 | 301836.00 | 41434.14 | 12949.27 | 78569.50 | 20801.50 | 4910.50 | |
| DG 36:2 | 35726.17 | 45410.65 | 95723.83 | 580620.50 | 1183636.00 | 601333.57 | 33157.00 | 420957.00 | 10222.00 | 46186.50 | |
| DG 36:3 | 99937.27 | 58226.05 | 244238.94 | 1504629.75 | 1904811.50 | 393305.93 | 58507.00 | 619834.00 | 29656.50 | 48670.50 | |
| DG 36:4 | 208845.27 | 60743.39 | 370240.72 | 946431.00 | 1022446.50 | 316046.07 | 85377.18 | 299007.00 | 66017.50 | 28630.50 | |
| DG 38:5 | 14244.08 | 18572.17 | 4438.47 | 22692.75 | 2775.50 | 3772.21 | 9298.27 | 2214.00 | 264.00 | 3291.00 | |
| Didanosine | 26871.82 | 6425.64 | 28008.00 | 45897.33 | 1921.50 | 23271.21 | 20970.88 | 844.00 | 22197.50 | 5695.00 | |
| Diethanolamine | 3684.50 | 4212.58 | 2995.39 | 1834.25 | 2200.00 | 2569.93 | 2405.00 | 3579.00 | 2508.50 | 3800.00 | |
| Dihydrocholesterol | 13454.70 | 9839.60 | 21859.14 | 30450.00 | 1519.00 | 12300.00 | 12338.91 | - | 44542.00 | 2899.00 | |
| Dimethylarginine | 14090480.50 | 69804382.25 | 14319865.06 | 7973539.50 | 30048225.00 | 9429780.33 | 24272961.55 | 27083126.50 | 943913.00 | 12934685.00 | |
| Dimethylglycine | 2030.58 | 2865.75 | 1298.11 | 1649.00 | 5596.50 | 1457.14 | 2118.82 | 1267.00 | 1261.00 | 1531.50 | |
| D-N-Acetylgalactosamine | 1494048.58 | 1381879.58 | 854356.61 | 1361758.75 | 422698.50 | 876765.79 | 1225057.27 | 1543403.00 | 990208.50 | 1987511.00 | |
| DOPA | 6350.20 | 1804.57 | 7898.56 | 9533.33 | 244.00 | 5062.25 | 2852.56 | - | 2908.00 | 1967.00 | |
| D-Urobilinogen | 544092.58 | 66610.96 | 156686.53 | 141013.50 | 49808.00 | 171830.38 | 72672.09 | 443237.50 | 257516.00 | 519.00 | |
| Ectoine | 1271.83 | 2127.83 | 1869.00 | 3249.25 | 4925.00 | 1383.86 | 2471.91 | 6442.00 | 875.50 | 333.50 | |
| (E,E)-Trichostachine_a | 8953.08 | 2674.13 | 8692.78 | 2825.50 | 2351.50 | 6051.79 | 2697.91 | 19061.50 | 508.50 | 1276.50 | |
| (E,E)-Trichostachine_b | 7335.55 | 5690.96 | 12885.88 | 2786.75 | 1178.00 | 7787.25 | 2364.30 | 16555.50 | 343.00 | 847.50 | |
| gamma-Aminobutyric acid | 9656367.42 | 9948380.46 | 15602647.17 | 12690631.25 | 22886922.50 | 25343595.71 | 49236641.82 | 9288844.50 | 957039.50 | 5199029.50 | |
| Genistein | 18936.00 | 86356.50 | 46193.41 | 40595.33 | 18463.00 | 36445.69 | 63163.60 | 36868.00 | 31106.50 | 4208.50 | |
| Gln-Ile | 112020.33 | 50862.83 | 22659.11 | 41538.50 | 97753.00 | 11965.93 | 37497.45 | 34571.00 | 5652.00 | 31568.00 | |
| Glu-Gln | 19757.67 | 37477.35 | 32310.28 | 11106.25 | 39759.00 | 16568.50 | 37469.82 | 38167.00 | 10421.50 | 9922.50 | |
| Glu-Ile | 60377.58 | 117868.08 | 56452.33 | 44435.25 | 74828.50 | 30430.50 | 57096.18 | 36778.00 | 19720.00 | 62360.00 | |
| Glutamic acid | 452322.00 | 859194.00 | 529437.50 | 370534.75 | 311203.50 | 481044.21 | 748365.27 | 307590.50 | 520727.50 | 681137.50 | |
| Glutamine | 180871.33 | 676507.67 | 204167.11 | 86464.75 | 192485.50 | 154258.43 | 269418.82 | 146306.00 | 103104.50 | 135086.00 | |
| Gly-Arg | 25074.42 | 22205.70 | 11422.06 | 12043.50 | 4452.00 | 6731.14 | 7489.45 | 27562.50 | 3451.50 | 2889.00 | |
| glycidyl linoleate | 42170.75 | 23121.78 | 70909.94 | 255758.25 | 223932.00 | 75008.79 | 42581.64 | 111934.50 | 25591.00 | 14564.50 | |
| Glycine | 6617.08 | 15586.43 | 7564.50 | 4409.75 | 5612.00 | 7910.93 | 8364.64 | 5451.00 | 9271.00 | 10042.00 | |
| Glycitein | 5001.22 | 641.80 | 2814.71 | 3678.50 | 184.00 | 6062.40 | 1960.22 | 3008.00 | 6540.00 | 971.00 | |
| Glycocholic acid | 15842.00 | 1178930.13 | 1293495.41 | 2051.25 | 3691.00 | 20771.86 | 4823.09 | 14264.00 | 12166.50 | 3009.00 | |
| Glycodeoxycholic acid | 17849.50 | 177976.33 | 88580.13 | 2936.50 | 2259.00 | 12264.92 | 1060.00 | 296.50 | 19954.00 | 6102.00 | |
| Gly-Pro | 30673.92 | 87912.22 | 47368.17 | 23001.75 | 42895.00 | 33415.50 | 56437.45 | 27974.50 | 54544.50 | 27376.00 | |
| Gly-Ser | 16654.00 | 18726.05 | 6539.13 | 6920.67 | 18546.00 | 1364.75 | 3599.80 | 8290.50 | 90.00 | 5058.00 | |
| Gly-Val | 22854.58 | 52062.00 | 21196.72 | 11102.75 | 35350.00 | 17224.50 | 24914.91 | 13645.50 | 13992.50 | 15300.50 | |
| Guanidoacetic acid | 6065.44 | 9317.86 | 1792.21 | 913.50 | 17301.00 | 1777.00 | 2246.11 | 5443.00 | 687.00 | 1046.50 | |
| guanine | 51875283.33 | 211694815.42 | 43182951.11 | 43883215.00 | 105458926.50 | 37166538.00 | 47876739.91 | 25926783.50 | 7664613.00 | 27529249.50 | |
| Guanosine | 111986.08 | 90513.12 | 63371.44 | 22604.75 | 639656.00 | 100219.54 | 73616.18 | 68887.50 | 17786.50 | 42640.50 | |
| hemin | 1644542.92 | 3586364.30 | 127393.17 | 408427.00 | 151953.00 | 873815.29 | 1948863.82 | 780008.00 | 15687.00 | 8967903.50 | |
| His-Ile | 85912.11 | 81962.86 | 31719.78 | 12948.50 | 26746.00 | 3349.00 | 19881.80 | 8816.50 | - | 13513.50 | |
| His-Phe | 13765.50 | 36513.80 | 1384.42 | 5527.00 | 2281.50 | 3460.86 | 8724.80 | 3619.50 | 90.00 | 10875.00 | |
| His-Pro | 39805.42 | 100861.09 | 23703.50 | 19515.50 | 19528.50 | 18373.36 | 37739.45 | 16626.50 | 10196.00 | 10343.50 | |
| Histamine | 59805.83 | 158444.57 | 49992.61 | 53148.00 | 44795.50 | 289217.79 | 122910.45 | 72773.00 | 17349.00 | 60341.00 | |
| Histidine | 132274.50 | 675062.62 | 99175.56 | 71152.00 | 35921.00 | 66186.93 | 351203.00 | 103894.50 | 75437.50 | 71733.50 | |
| His-Val | 50797.33 | 56451.96 | 8736.78 | 10895.50 | 7728.50 | 6408.64 | 19227.73 | 7545.00 | 3229.00 | 10821.50 | |
| Homocitrulline | 2739.75 | 1284.35 | 3705.13 | 1457.50 | 8565.00 | 2187.18 | 1498.30 | 1280.00 | 4150.50 | 433.00 | |
| Hydroxyproline | 3530.25 | 18561.71 | 8661.78 | 23365.50 | 10020.00 | 18048.43 | 16444.00 | 12332.50 | 4688.00 | 6648.50 | |
| Hypoxanthine | 3051100.83 | 4266113.12 | 2725726.67 | 3088256.75 | 2262804.50 | 3027781.64 | 2513569.45 | 1782220.00 | 2465724.00 | 3068443.50 | |
| Ile-Asn | 37634.33 | 45896.35 | 16856.11 | 22605.50 | 36676.50 | 11073.50 | 21048.36 | 19244.50 | 5242.50 | 14089.00 | |
| Ile-Gln | 53275.56 | 50247.09 | 11343.94 | 11126.67 | 29592.00 | 2176.09 | 5805.90 | 9803.00 | 642.50 | 3279.00 | |
| Ile-Lys | 35859.58 | 36917.33 | 12247.89 | 19948.25 | 11534.00 | 6533.50 | 9846.27 | 20279.00 | 2103.50 | 9468.00 | |
| Ile-Met | 5490.00 | 5528.68 | 1276.47 | 1953.00 | 6427.50 | 755.57 | 966.91 | 3331.00 | 215.00 | 1528.00 | |
| Ile-Pro | 361067.83 | 778771.30 | 320313.50 | 253635.50 | 454512.50 | 254227.79 | 457182.91 | 161757.50 | 277641.00 | 145864.00 | |
| Ile-Ser | 62109.00 | 113294.96 | 33326.33 | 26511.75 | 113792.50 | 20328.07 | 37130.91 | 33188.00 | 11467.50 | 36164.00 | |
| Ile-Ser/Ser-Leu/Leu-Ser/Thr-Val | 27934.92 | 54414.82 | 7408.83 | 11024.67 | 23063.00 | 4673.00 | 11628.09 | 11485.50 | 806.50 | 8172.50 | |
| Ile-Thr | 35721.25 | 47379.17 | 23421.89 | 25685.50 | 61716.50 | 10919.43 | 22010.00 | 23534.00 | 6800.00 | 19043.00 | |
| Ile-Trp | 47171.67 | 72203.38 | 16553.83 | 22817.00 | 58068.00 | 5577.21 | 15029.00 | 16216.00 | 1961.00 | 4856.50 | |
| Ile-Val | 248621.08 | 349233.71 | 103303.00 | 122388.75 | 295459.50 | 50891.64 | 116521.64 | 131147.50 | 28573.00 | 66632.50 | |
| Imidazoleacetic acid | 4926.92 | 6435.74 | 5343.56 | 6030.25 | 6882.00 | 7166.57 | 9013.82 | 2149.50 | 3891.00 | 1078.50 | |
| Imidazolepropionic acid | 256454510.92 | 185689376.00 | 242397631.06 | 297226833.25 | 340633367.50 | 352444577.57 | 366790814.91 | 337093894.00 | 124995723.00 | 57414431.50 | |
| Indolin-2-one | 3132.67 | 2575.41 | 2525.56 | 2904.25 | 651.00 | 7754.11 | 3170.11 | 195.00 | 530.50 | 501.50 | |
| Inosine | 51803.17 | 79355.25 | 56753.17 | 29213.25 | 166687.50 | 49988.00 | 49902.82 | 100986.00 | 13288.00 | 31001.50 | |
| Isoleucine | 193783106.50 | 426619899.96 | 240558756.00 | 129247130.00 | 237565562.00 | 217149823.00 | 228027014.91 | 104122738.00 | 320623990.00 | 180526859.00 | |
| isoquinoline-1,5-diol | 24519.45 | 26264.17 | 48335.67 | 62810.25 | 44134.00 | 80591.29 | 47738.45 | 37771.50 | 37981.00 | 11040.00 | |
| Kestose/Maltotriose | 15890.73 | 305475.18 | 42630.28 | 47655.33 | 12751.50 | 36868.00 | 25580.36 | 32149.50 | 22462.50 | 10684.00 | |
| Kynurenic acid | 26387.00 | 19665.83 | 40720.39 | 43847.50 | 25111.50 | 29207.00 | 26919.64 | 20081.50 | 47972.00 | 15798.50 | |
| Lenticin | 16293.33 | 23973.73 | 8852.50 | 15196.00 | 39317.50 | 8011.86 | 11218.50 | 6691.00 | 12211.00 | 17891.50 | |
| Leucine | 368486769.58 | 1195872163.58 | 353217055.22 | 223812482.00 | 458421689.00 | 326656421.93 | 469555412.73 | 246356702.00 | 378940495.00 | 440430344.50 | |
| Leu-Leu | 262578.67 | 263206.61 | 87912.28 | 123074.00 | 268963.00 | 40576.43 | 97655.64 | 120465.50 | 23899.00 | 54357.50 | |
| Leu-Phe | 30145.17 | 29461.87 | 6075.56 | 10856.00 | 36994.50 | 2988.07 | 6692.00 | 12350.00 | 1242.00 | 8346.00 | |
| Leu-Tyr | 14452.50 | 11450.13 | 5356.17 | 6840.50 | 16763.00 | 4320.21 | 3936.91 | 9363.50 | 2623.50 | 2227.00 | |
| L-Histidinol | 6211.83 | 1215.04 | 2020.39 | 5869.00 | 5117.50 | 2228.79 | 2660.73 | 8308.50 | 334.50 | 28.50 | |
| Linoleoyl-EA | 151414.83 | 379949.13 | 386895.28 | 173207.00 | 314889.50 | 599573.64 | 525910.09 | 681387.50 | 57794.50 | 413811.50 | |
| Loperamide | 347.50 | 52382.80 | 3624.00 | - | - | 2479.50 | 562.00 | 231.00 | 7271.00 | 677.00 | |
| LPC 14:0 | 2005.33 | 4650.95 | 71.00 | 705.00 | 341.00 | 484.11 | 536.78 | 3259.50 | - | 585.00 | |
| LPC 15:0 | 6373.70 | 9557.06 | 356.38 | 2122.00 | - | 979.38 | 2340.00 | 3148.50 | 168.00 | 1606.00 | |
| LPC 16:0 | 1676613.25 | 3173025.09 | 141982.61 | 790848.25 | 416641.00 | 279808.86 | 796247.18 | 917591.00 | 36508.50 | 630712.50 | |
| LPC 16:1 | 5355.50 | 8087.72 | 769.00 | 2834.00 | 1112.00 | 2705.75 | 2470.38 | 9162.50 | 63.00 | 741.00 | |
| LPC 18:1 | 304598.91 | 403086.43 | 39137.18 | 315808.75 | 69553.50 | 110161.38 | 136122.80 | 394042.00 | 6533.50 | 40782.50 | |
| LPC 18:2 | 44320.00 | 136297.61 | 18800.50 | 132387.00 | 21892.50 | 58373.43 | 25380.82 | 223885.50 | 8100.00 | 7228.50 | |
| LPC 18:3 | 380071.20 | 694771.50 | 30159.73 | 219810.50 | 38297.00 | 24277.77 | 121799.22 | 94557.00 | 2713.00 | 92672.50 | |
| LPC 20:1 | 16814.09 | 48828.00 | 2043.70 | 13945.00 | 3744.00 | 2429.62 | 12546.90 | 15549.50 | - | 6509.00 | |
| LPC 20:2 | 14005.89 | 29201.40 | 848.17 | 10320.00 | 83.00 | 959.14 | 7827.10 | 13412.50 | - | 1879.00 | |
| LPC 20:3 | 2433.09 | 6498.04 | 599.79 | 1863.33 | 387.00 | 889.23 | 853.00 | 7768.50 | - | 14619.50 | |
| LPC 20:4 | 276129.00 | 103518.94 | 2761.50 | 47587.00 | - | 5504.00 | 21789.00 | 3502.00 | - | 276.00 | |
| LPC O-16:0 | 238702.18 | 684136.22 | 24248.56 | 114159.33 | 54814.00 | 39097.83 | 155238.18 | 152488.00 | - | 88389.50 | |
| LPC O-18:0 | 201089.27 | 456211.61 | 22811.93 | 144132.33 | 83302.00 | 36041.25 | 116257.91 | 87695.50 | - | 124307.00 | |
| LPC P-16:0 or LPC O-16:1 | 54457.18 | 142265.82 | 6497.57 | 34257.33 | 15137.00 | 14317.42 | 48603.40 | 44272.00 | - | 14234.00 | |
| LPC(P-18:0)/LPC(O-18:1)_B | 24967.90 | 71050.90 | 4215.30 | 20501.67 | 21670.00 | 8035.44 | 26775.00 | 24954.00 | - | 19986.50 | |
| LPC P-18:0 or LPC O-18:1 | 199104.82 | 372932.82 | 18651.56 | 137651.00 | 9543.50 | 16982.00 | 123502.10 | 104037.50 | - | 49191.50 | |
| LPE 14:0 | 8667.45 | 7495.42 | 5613.18 | 4711.00 | 9723.00 | 5731.36 | 10097.56 | 10626.50 | 963.00 | 3760.00 | |
| LPE 15:0 | 71963.91 | 51476.14 | 49589.89 | 74804.00 | 69661.00 | 41989.83 | 91198.50 | 117823.00 | 8148.00 | 49011.00 | |
| LPE 16:0 | 226431.75 | 310264.21 | 179043.89 | 260962.25 | 321492.50 | 195904.50 | 247156.60 | 445099.00 | 30168.00 | 103117.50 | |
| LPE 16:1 | 2577.56 | 4099.25 | 489.00 | 999.00 | 7190.00 | 311.25 | 1632.75 | 5394.00 | - | 184.00 | |
| LPE 17:0 | 12451.27 | 17100.79 | 8022.65 | 10942.50 | 7814.00 | 7865.15 | 8867.60 | 22725.50 | 553.50 | 3994.00 | |
| LPE 18:0 | 346971.00 | 817844.92 | 41342.56 | 197327.50 | 100037.50 | 45686.86 | 265404.10 | 297399.00 | 2658.50 | 179163.00 | |
| LPE 18:1 | 51136.82 | 73467.42 | 14814.28 | 74435.75 | 24111.00 | 24558.62 | 40458.40 | 106413.50 | 1125.50 | 12935.00 | |
| LPE 18:2 | 7325.91 | 31459.48 | 3378.67 | 39018.25 | 3789.00 | 8986.79 | 5019.00 | 48363.00 | 638.00 | 1769.00 | |
| LPE 18:3 | 14742.73 | 19392.96 | 8385.76 | 8961.50 | 23366.00 | 8979.14 | 13573.60 | 15493.00 | 332.50 | 5133.50 | |
| LPE 20:0 | 63775.00 | 61907.55 | 1344.00 | 35222.00 | 15927.00 | 8097.00 | 20494.67 | 13732.50 | 396.00 | 9163.00 | |
| LPE 20:1 | 8693.40 | 23209.26 | 1058.14 | 3836.50 | 3327.50 | 854.14 | 8126.50 | 7892.50 | - | 3676.00 | |
| LPE 20:3 | 20043.09 | 42466.81 | 2381.60 | 13604.33 | 4713.50 | 2673.44 | 13950.44 | 9352.50 | 4.00 | 8458.00 | |
| LPE P-18:0 or LPE O-18:1 | 624569.75 | 2288859.33 | 118031.39 | 456467.25 | 231140.00 | 149048.07 | 589888.64 | 614292.00 | 17522.50 | 481927.00 | |
| Lys-Gln | 21662.27 | 36256.00 | 7972.78 | 14850.67 | 4088.50 | 2581.23 | 6429.00 | 15393.50 | 250.00 | 6133.00 | |
| Lys-Gly | 25577.83 | 66685.75 | 13999.89 | 12911.50 | 44124.50 | 10430.50 | 31190.91 | 20274.00 | 2163.50 | 11405.50 | |
| Lys-Ile | 78367.75 | 99647.55 | 18291.22 | 29249.25 | 38755.00 | 6324.00 | 22588.00 | 20954.00 | 2458.50 | 9666.00 | |
| Lysine | 944101.33 | 2465256.25 | 928073.39 | 648948.25 | 651468.50 | 850192.21 | 1541969.27 | 958361.50 | 1289308.50 | 1681576.50 | |
| Lys-Pro | 69664.25 | 276603.17 | 84665.72 | 58354.50 | 83216.00 | 55024.79 | 130073.73 | 53716.50 | 47043.50 | 21029.50 | |
| Lys-Ser | 15407.67 | 33940.53 | 6669.29 | 13539.00 | 2979.00 | 2293.50 | 4922.62 | 10026.50 | 453.00 | 4286.00 | |
| Lys-Tyr | 19438.50 | 33658.00 | 10573.94 | 43191.00 | 23782.00 | 5403.62 | 23309.82 | 15621.00 | 933.50 | 12751.00 | |
| Lys-Val | 64106.58 | 142586.74 | 16851.56 | 22018.00 | 51342.50 | 16612.86 | 46069.36 | 16089.50 | 4701.50 | 16049.50 | |
| Mesalamine | 49609373.42 | 14559842.33 | 139718489.06 | 79761857.25 | 4371993.00 | 127550006.00 | 76604385.45 | 148560935.00 | 180937276.00 | 6287.00 | |
| Methionine | 248834.42 | 409886.50 | 310141.11 | 215492.25 | 225311.50 | 292805.21 | 351405.18 | 174382.00 | 384974.00 | 261726.00 | |
| Methionine sulfoxide | 82042.00 | 175351.09 | 57555.56 | 30744.25 | 49631.50 | 40019.36 | 63871.27 | 17528.50 | 86199.50 | 80041.50 | |
| Methylguanidine | 552510.00 | 452329.92 | 908780.89 | 498431.75 | 1225738.50 | 977447.29 | 1053939.64 | 425510.00 | 587604.00 | 378123.00 | |
| Methylimidazoleacetic acid | 268649.83 | 104278.62 | 634832.44 | 414829.75 | 147242.00 | 379698.21 | 274685.64 | 42999.00 | 213408.50 | 55586.00 | |
| Met-Lys/Lys-Met | 1395.30 | 3649.79 | 306.38 | 925.67 | 573.50 | 172.64 | 259.89 | 1079.00 | 37.00 | 49.00 | |
| Met-Val | 1814.42 | 1378.22 | 900.88 | 950.25 | 2470.50 | 410.31 | 777.60 | 2740.50 | 33.50 | 150.00 | |
| Monoethylglycinexylidide | 15278.00 | 51315.11 | 30147.71 | 20059.00 | 88869.50 | 50662.92 | 19980.80 | 13980.50 | 44703.00 | 5375.00 | |
| myristoleate | 4438.42 | 4489.43 | 3962.67 | 3597.00 | 5643.50 | 6113.43 | 2718.45 | 2630.00 | 2747.00 | 2368.50 | |
| N1-Acetylspermidine | 1132804.33 | 709568.74 | 836839.39 | 888128.50 | 1761076.50 | 1010345.36 | 803973.45 | 541807.00 | 431896.00 | 256055.50 | |
| N1-Methyl-2-pyridone-5-carboxamide | 18491.42 | 33447.04 | 75851.44 | 33916.50 | 35246.00 | 44117.14 | 20998.27 | 15546.50 | 28558.50 | 23251.50 | |
| N1,N12-Diacetylspermine | 321155.08 | 472047.52 | 222405.28 | 503411.25 | 815007.50 | 295946.14 | 349487.82 | 135156.50 | 16250.50 | 71404.00 | |
| N2,N2-Dimethylguanosine | 2590.90 | 130367.67 | 3818.18 | 462.50 | 108329.00 | 2064.85 | 9500.40 | 30863.50 | 1510.00 | 977.50 | |
| N6-Acetyllysine | 78055.58 | 120333.21 | 55731.00 | 89162.75 | 97950.50 | 53329.07 | 81920.09 | 48978.50 | 64143.50 | 65551.00 | |
| N6-Methyladenosine | 1684.08 | 837.47 | 2221.61 | 1692.25 | 1926.00 | 4012.83 | 895.50 | 3554.50 | 510.50 | 608.00 | |
| N(6)-Methyllysine | 8390.92 | 30678.61 | 7929.44 | 8845.00 | 11294.00 | 4167.64 | 14735.82 | 8998.00 | 4658.50 | 9756.50 | |
| N(6),N(6)-Dimethyl-lysine | 124987.25 | 245676.61 | 66272.78 | 70591.50 | 139091.00 | 42951.21 | 114782.91 | 105690.50 | 37656.50 | 86063.00 | |
| N-6-Trimethyllysine | 144979.17 | 280868.00 | 103976.61 | 127313.00 | 314620.00 | 188629.43 | 311470.00 | 796816.00 | 29488.50 | 71666.50 | |
| N-acetyl-5-Aminosalicylic acid | 1566338.75 | 311817.71 | 7071137.50 | 3395396.50 | 594313.00 | 8030714.64 | 3784169.09 | 2528176.00 | 11871962.50 | 2505.50 | |
| N-Acetylarginine | 19584.50 | 20799.05 | 27638.33 | 25034.25 | 49360.50 | 25182.21 | 19644.64 | 36497.50 | 41460.00 | 7552.50 | |
| N-Acetylaspartic acid | 2972.25 | 2299.95 | 2092.80 | 3953.50 | 1819.00 | 1889.69 | 3225.55 | 1449.50 | 754.00 | 269.00 | |
| N-Acetylcadaverine | 3242436.25 | 1693637.26 | 1762967.44 | 1986036.50 | 4876824.50 | 2728063.36 | 2400499.55 | 283791.00 | 299287.00 | 370196.50 | |
| N-Acetyl-D-galactosamine | 531402.00 | 528681.46 | 311960.44 | 485016.50 | 167648.00 | 319448.07 | 512623.55 | 652395.00 | 356424.50 | 747662.00 | |
| N-Acetylglutamic acid | 44745.75 | 18805.71 | 37205.44 | 59732.25 | 34409.00 | 41408.36 | 40500.00 | 12039.00 | 27466.00 | 26844.00 | |
| N-Acetylglutamine | 707.50 | 852.81 | 1121.38 | 912.67 | 7965.00 | 1811.29 | 979.80 | 2775.50 | 1617.00 | 295.00 | |
| N-Acetylhistamine | 106128.67 | 154349.92 | 161794.28 | 175511.25 | 165160.00 | 445768.43 | 178948.82 | 121625.50 | 146482.00 | 83028.00 | |
| N-Acetylhistidine | 82343.33 | 158790.71 | 76004.50 | 51960.00 | 25226.00 | 88704.50 | 108467.27 | 39445.50 | 110662.50 | 185217.00 | |
| N-Acetylisoputreanine | 38592.67 | 54678.78 | 49605.06 | 41642.75 | 148018.00 | 50920.57 | 51562.00 | 51775.00 | 26026.50 | 33928.50 | |
| N-Acetylleucine | 50511.75 | 28903.38 | 30683.11 | 33237.25 | 54768.50 | 45922.50 | 30326.82 | 10726.50 | 32589.50 | 18097.00 | |
| N-Acetylornithine | 21382.92 | 22289.64 | 12263.89 | 19965.50 | 29373.50 | 18578.50 | 19950.45 | 12157.50 | 14026.50 | 11639.00 | |
| N-Acetylputrescine | 819394.58 | 1108932.52 | 850478.78 | 542390.00 | 4329579.00 | 1111743.50 | 804901.55 | 934092.50 | 749272.50 | 563669.00 | |
| N-Acetylvaline | 111425.67 | 27635.67 | 64308.67 | 86546.75 | 168327.00 | 76295.14 | 53452.18 | 37666.00 | 54773.00 | 38121.00 | |
| Nicotinic acid | 970909.92 | 565814.17 | 1156277.00 | 1300243.75 | 1130074.50 | 1133278.79 | 1029677.55 | 478145.50 | 609400.50 | 538592.50 | |
| Nicotinuric acid | 83379.33 | 2859.67 | 28548.29 | 26898.50 | 21993.00 | 39786.23 | 34768.10 | 43282.00 | 28609.00 | - | |
| N-Lauroylglycine | 7057.50 | 18654.61 | 5550.27 | 7715.00 | 8645.50 | 9079.09 | 12852.60 | 2667.00 | 1283.00 | 3730.50 | |
| N-methylhistamine | 617011.25 | 1822058.42 | 668908.56 | 586577.00 | 1645210.00 | 1495757.36 | 1763726.09 | 2532203.50 | 1613365.00 | 328681.50 | |
| N-Methyl-proline | 384848.75 | 50948.04 | 299369.00 | 81562.00 | 79934.00 | 256394.71 | 375540.00 | 39287.00 | 754965.00 | 57418.00 | |
| N-Methylserotonin | 4442.33 | 2143.88 | 12310.46 | 14519.00 | 10335.00 | 7661.33 | 24085.00 | 156.00 | 431.50 | 72.00 | |
| N-Oleoyl glycine | 4398.75 | 7296.08 | 4609.41 | 2454.75 | 7441.50 | 12262.00 | 9312.30 | 12847.50 | 1886.00 | 5506.00 | |
| Norharmane | 1797.00 | 1115.78 | 1464.31 | 823.00 | 9053.00 | 1034.42 | 2066.56 | 370.00 | 459.50 | 2015.00 | |
| Nor-psi-tropine | 57183.08 | 36442.38 | 51367.61 | 15569.00 | 222465.00 | 45550.93 | 27286.82 | 45955.00 | 33800.50 | 11775.00 | |
| O-ethyl-homoserine | 3969.33 | 3903.33 | 4186.44 | 4133.25 | 3708.50 | 4135.57 | 3898.00 | 2102.00 | 5857.50 | 2172.50 | |
| Oleoyl-EA | 59956.92 | 101434.91 | 150313.72 | 65213.50 | 101926.00 | 189161.86 | 139356.18 | 149940.50 | 41203.50 | 125000.00 | |
| Ornithine | 27635.83 | 79755.70 | 28776.00 | 15796.75 | 23529.50 | 25567.86 | 43225.64 | 22655.00 | 35312.50 | 29753.50 | |
| Palmitoyl-EA | 22684.67 | 36835.13 | 38246.50 | 22189.50 | 30041.50 | 48705.93 | 37531.55 | 29706.00 | 16357.00 | 51410.00 | |
| Pantothenic acid | 1326460.25 | 956781.50 | 1983846.17 | 1626792.75 | 1491232.50 | 1900927.07 | 1703459.36 | 590276.00 | 2374127.00 | 663509.00 | |
| PC 32:0 | 166854.45 | 442995.61 | 21853.62 | 102497.00 | 78991.00 | 23296.17 | 116719.00 | 120483.00 | - | 138818.00 | |
| PC 34:1 | 197355.75 | 507609.52 | 32772.17 | 89349.00 | 41204.50 | 49657.21 | 156087.40 | 190852.50 | 10761.00 | 178426.50 | |
| PC 34:2 | 53817.00 | 142198.90 | 22971.89 | 19356.75 | 12271.00 | 91736.86 | 43108.18 | 62962.00 | 20840.00 | 73700.00 | |
| PC 34:3 | 56425.90 | 121966.45 | 6741.17 | 23169.00 | 13211.00 | 8631.67 | 33095.56 | 28333.50 | 684.00 | 44500.50 | |
| PC 36:2 | 639025.50 | 2149689.17 | 279890.00 | 534848.25 | 479944.50 | 682665.71 | 543030.45 | 1117724.50 | 123729.50 | 881086.00 | |
| PC 36:3 | 16125.27 | 36353.25 | 13887.88 | 16935.50 | 33634.00 | 29637.62 | 12970.78 | 23779.50 | 6984.00 | 17932.50 | |
| PC O-18:0 (C16-PAF) | 669273.08 | 1222028.91 | 51137.39 | 255236.50 | 168865.50 | 94672.29 | 326687.27 | 332709.00 | 7102.00 | 317399.00 | |
| PC O-32:0 | 88876.91 | 264848.74 | 17219.50 | 77722.67 | 62351.00 | 17543.17 | 70350.82 | 66457.50 | - | 50864.50 | |
| PC P-32:0 or PC O-32:1 | 13298.00 | 39676.14 | 4073.00 | 13493.50 | 2024.00 | 4099.60 | 11309.22 | 14553.50 | - | 8609.50 | |
| PC P-34:0 or PC O-34:1 | 80494.73 | 216782.26 | 12184.58 | 57398.00 | 27342.50 | 9818.82 | 74631.80 | 81786.00 | - | 57983.50 | |
| PC P-34:1 or PC O-34:2 | 18299.50 | 62388.89 | 2707.44 | 8786.25 | 44.50 | 3341.57 | 22893.75 | 35705.00 | - | 37458.00 | |
| PC P-34:2 or PC O-34:3 | 2313.00 | 14394.00 | 399.67 | 339.00 | - | 6680.00 | 2792.71 | 7063.00 | - | 2287.00 | |
| PC P-36:1 or PC O-36:2 | 17555.50 | 84428.59 | 3761.67 | 20854.50 | 97.00 | 2785.40 | 21262.50 | 30241.50 | - | 37717.00 | |
| PE 30:0 | 54430.00 | 15647.85 | 25210.12 | 22052.00 | 52853.50 | 13927.90 | 57551.62 | 13865.00 | 19351.00 | 49814.50 | |
| PE 34:2 | 16811.33 | 21953.38 | 3150.50 | 1937.00 | 5552.50 | 2270.14 | 11406.60 | 141.00 | 248.50 | 3563.00 | |
| PE P-34:1 or PE O-34:2 | 8762.43 | 66975.69 | 4519.75 | 1760.00 | 901.50 | 1036.67 | 17753.86 | 16092.50 | - | 19039.00 | |
| PE P-34:2 or PE O-34:3 | 2372.75 | 57995.43 | 8777.80 | - | - | 4667.75 | 8179.40 | 1674.00 | - | 3197.00 | |
| PE P-36:2 or PE O-36:3 | 2914.43 | 52073.22 | 9299.00 | 357.50 | - | 3666.00 | 12623.00 | 9562.00 | 733.00 | 16583.00 | |
| Phe-Glu | 11691.92 | 30095.12 | 6622.39 | 5725.75 | 12766.50 | 4483.14 | 10043.64 | 6721.00 | 2840.50 | 14733.00 | |
| Phe-Gly | 6404.50 | 16298.12 | 4257.06 | 3709.00 | 17661.50 | 1890.21 | 4591.73 | 5819.50 | 1124.00 | 12584.00 | |
| Phe-Ile | 181019.25 | 164799.09 | 22765.72 | 51886.00 | 91192.00 | 8348.36 | 32926.27 | 55222.50 | 4681.50 | 42058.00 | |
| Phe-Lys | 5486.25 | 5908.00 | 787.87 | 2127.25 | 350.00 | 1034.70 | 1028.33 | 2722.50 | 587.00 | 1615.00 | |
| Phe-Met | 1846.62 | 4455.31 | 940.43 | 1338.67 | 1069.00 | 431.80 | 564.67 | 1247.00 | 50.00 | 1677.00 | |
| Phenylalanine | 360754089.42 | 1253024305.00 | 352988955.17 | 242647428.50 | 320597627.50 | 336763519.79 | 505638468.36 | 268566540.00 | 371611236.50 | 447010705.50 | |
| Phenylalanine-d8 [iSTD] | 339583.92 | 533880.33 | 297059.22 | 279227.25 | 361303.00 | 302790.57 | 307485.45 | 274365.00 | 201218.00 | 330311.00 | |
| Phe-Phe | 25472.17 | 21718.05 | 2330.17 | 6452.25 | 9835.00 | 1742.00 | 5171.55 | 6760.00 | 1754.00 | 22296.00 | |
| Phe-Ser | 1383.33 | 2202.54 | 903.61 | 804.75 | 2667.00 | 720.79 | 863.36 | 1108.00 | 496.50 | 1464.00 | |
| Phe-Thr | 3984.33 | 8263.30 | 2125.56 | 1839.25 | 10860.50 | 1325.71 | 2329.91 | 2145.50 | 1775.50 | 4039.00 | |
| Phe-Trp | 16645.67 | 19044.00 | 2774.42 | 5078.50 | 39184.50 | 1322.71 | 4057.86 | 1939.50 | 8.00 | 335.50 | |
| Phe-Tyr | 11997.33 | 10805.33 | 1860.53 | 3610.75 | 9772.00 | 1253.33 | 2083.09 | 6439.50 | 1066.50 | 5175.00 | |
| Phytosphingosine | 313889.50 | 36638.00 | 77282.67 | 50970.75 | 128876.50 | 131735.21 | 82283.55 | 79606.00 | 89090.00 | 33837.50 | |
| Pipecolic acid | 92358.08 | 32254.17 | 98007.00 | 102171.25 | 38346.00 | 114752.64 | 79931.27 | 23202.00 | 116457.00 | 55664.50 | |
| Piperine | 84315.92 | 55383.43 | 481099.22 | 254961.75 | 95006.00 | 336708.64 | 164312.73 | 194318.50 | 27642.50 | 67858.50 | |
| Pro-Ala/Ala-Pro | 41555.83 | 155969.96 | 27873.67 | 6928.25 | 37417.00 | 14672.64 | 34825.00 | 7447.00 | 2286.00 | 8243.00 | |
| Pro-Gly | 5365.45 | 13009.74 | 6704.58 | 1606.50 | 9100.00 | 1400.55 | 3961.40 | 609.50 | 569.00 | 549.50 | |
| Pro-hydroxyPro | 3523.25 | 2538.06 | 8727.19 | 2606.75 | 8207.50 | 22856.25 | 26550.40 | 2633.50 | 13320.50 | - | |
| Proline | 960719.17 | 2573847.33 | 1286264.50 | 731684.75 | 453461.00 | 993861.21 | 1537356.18 | 785189.50 | 1512963.00 | 1979581.00 | |
| Proline betaine | 196499.50 | 116350.46 | 199384.56 | 81945.00 | 3238415.00 | 155835.79 | 175926.18 | 94561.50 | 68549.00 | 87686.50 | |
| Protoporphyrin | 595443.50 | 333217.09 | 295000.78 | 274777.25 | 1995044.50 | 552730.79 | 335920.09 | 84564.00 | 124195.00 | 151841.50 | |
| Pro-Val | 114395.25 | 273937.87 | 138847.94 | 121426.75 | 157842.50 | 117192.21 | 151417.64 | 73285.00 | 100867.00 | 44228.50 | |
| Pterin | 19500.50 | 7889.74 | 34520.56 | 32950.75 | 9133.50 | 40771.14 | 18409.50 | 10046.00 | 36144.00 | 8613.50 | |
| Putrescine | 36409.08 | 60872.92 | 35000.17 | 31887.50 | 118651.00 | 45282.14 | 48378.09 | 54573.00 | 8887.00 | 23100.50 | |
| Pyridoxamine | 95481.67 | 33162.67 | 126558.00 | 114049.00 | 93920.00 | 126931.21 | 68371.45 | 27236.50 | 172077.50 | 42480.00 | |
| Pyridoxine | 46767.92 | 17599.35 | 27952.11 | 71236.50 | 38430.50 | 65304.00 | 33875.73 | 14512.00 | 27210.00 | 6172.00 | |
| Retinol | 2705.42 | 2010.00 | 3648.11 | 2517.25 | 6081.50 | 3909.21 | 3719.00 | 5857.00 | 5966.50 | 2371.50 | |
| Ribothymidine | 4656518.50 | 1720156.18 | 3662038.00 | 5073498.00 | 2349723.00 | 3766136.57 | 2517285.36 | 775439.00 | 6446286.00 | 1446366.00 | |
| (R)-Salsolinol | 5044580.67 | 706813.57 | 2416324.56 | 2426603.75 | 491967.00 | 1592193.64 | 2553526.64 | 871356.50 | 2256481.50 | 731172.00 | |
| S-Adenosylmethionine | 6502.78 | 1622.87 | 2474.75 | 2178.75 | 324.00 | 2672.83 | 1470.12 | 6686.00 | - | - | |
| Ser-Arg | 9149.42 | 8981.00 | 1855.61 | 2524.25 | 1280.00 | 874.69 | 1911.44 | 11796.00 | 2094.00 | 91.00 | |
| Ser-Ile | 24315.08 | 36661.96 | 10101.56 | 11746.00 | 46727.50 | 3581.21 | 7724.18 | 13289.50 | 2269.50 | 12171.00 | |
| Serine | 17708.75 | 52220.39 | 17939.17 | 12901.75 | 16581.50 | 19207.00 | 24188.00 | 16189.50 | 22060.50 | 37159.00 | |
| Serotonin | 458.09 | 67.92 | 853.00 | 429.75 | 283.50 | 433.07 | 216.00 | 484.50 | 482.00 | 72.00 | |
| Ser-Pro/Pro-Ser | 50736.83 | 83487.61 | 33820.44 | 39718.50 | 74227.50 | 40433.86 | 47818.82 | 29389.00 | 24542.50 | 27680.50 | |
| Ser-Ser | 3750.92 | 6992.57 | 1153.75 | 2143.67 | 5348.50 | 416.50 | 969.55 | 3694.50 | 26.00 | 402.50 | |
| Ser-Thr | 25059.50 | 46611.27 | 7658.44 | 8940.25 | 25945.50 | 2267.64 | 7706.90 | 12882.00 | 610.00 | 7372.50 | |
| Ser-Trp | 655.80 | 1510.12 | 314.13 | 283.67 | 4260.00 | 63.22 | 203.56 | 494.50 | 36.00 | 428.00 | |
| Ser-Val | 47543.92 | 79230.29 | 17284.61 | 18945.75 | 68934.00 | 10573.79 | 27050.55 | 17289.50 | 4976.00 | 20965.50 | |
| SM 18:1;O2/14:0 | 7719.64 | 14243.81 | 1774.50 | 5344.00 | 7670.00 | 3620.18 | 5719.22 | 4549.00 | - | 6758.00 | |
| SM 18:1;O2/16:0 | 210986.58 | 417517.35 | 37792.06 | 122542.75 | 208674.00 | 78347.00 | 149529.09 | 123646.50 | 11896.00 | 159079.50 | |
| SM 18:1;O2/16:1 | 3761.60 | 10506.75 | 1727.67 | 3266.00 | 4153.00 | 2079.14 | 2957.22 | 2616.50 | - | 12034.00 | |
| SM 18:1;O2/18:3 | 145316.33 | 298598.61 | 29258.00 | 122618.00 | 152534.00 | 65005.83 | 115323.82 | 111400.50 | 10140.00 | 110015.50 | |
| S-Methylcysteine S-oxide | 72368.25 | 51569.83 | 87772.83 | 89657.50 | 77656.00 | 92460.64 | 73858.91 | 52010.50 | 67080.00 | 45385.50 | |
| sn-Glycero-3-phosphocholine | 22626.83 | 25546.74 | 4078.82 | 8454.25 | 3131.50 | 7705.93 | 5596.09 | 36297.00 | 397.50 | 15598.50 | |
| Solanidine | 1016028.75 | 681231.41 | 1090709.41 | 691572.00 | 654674.50 | 2527204.00 | 1526765.36 | 167377.00 | 416188.50 | 573702.50 | |
| Sphinganine | 653854.58 | 276564.22 | 473040.50 | 222019.00 | 346991.00 | 545221.36 | 328173.18 | 97616.50 | 737963.00 | 121556.50 | |
| Stearamide | 7685.67 | 8772.61 | 7944.72 | 6867.75 | 6828.00 | 6021.57 | 9975.27 | 36652.50 | 6107.50 | 89312.50 | |
| Stercobilin | 1495430.45 | 761120.88 | 1383098.06 | 2299114.00 | 3583.00 | 1713110.31 | 395862.64 | - | 115407.50 | 1751679.00 | |
| Symmetric dimethyl-arginine | 7920610.00 | 14584138.96 | 8775337.67 | 6135187.50 | 22172609.50 | 8752644.29 | 9588220.45 | 13478028.50 | 9887429.00 | 4058918.50 | |
| Targinine | 20969.75 | 61025.48 | 24107.50 | 16124.75 | 21242.50 | 15783.64 | 33868.09 | 30735.50 | 15481.00 | 21470.50 | |
| Taurine | 593545.17 | 1655550.48 | 767279.61 | 714339.50 | 568029.00 | 748856.57 | 1332995.64 | 832466.50 | 19610.00 | 712689.50 | |
| Tetradecylamine | 41319.75 | 36160.92 | 40163.50 | 26078.75 | 20740.00 | 23016.71 | 44660.73 | 47524.00 | 44172.00 | 74944.00 | |
| Theobromine | 23594.67 | 14675.70 | 22437.67 | 27769.75 | 44948.50 | 32454.86 | 24232.18 | 14506.00 | 11408.00 | 11180.50 | |
| Thiamine | 235645.08 | 84783.83 | 297337.71 | 244006.00 | 280751.50 | 1706040.79 | 185957.73 | 57004.00 | 374803.50 | 73131.00 | |
| Thr-Arg | 15462.83 | 9031.33 | 4202.06 | 3339.00 | 4804.50 | 2336.67 | 4477.10 | 8364.00 | 2228.50 | 129.00 | |
| Threonine | 87673.92 | 213997.17 | 99330.39 | 65820.50 | 63508.00 | 96791.14 | 115029.00 | 64190.00 | 120235.50 | 147870.00 | |
| threosphingosine | 1161884.00 | 429530.57 | 414148.33 | 407400.50 | 470750.00 | 592385.64 | 452828.55 | 242647.50 | 711882.00 | 501468.50 | |
| Thr-Gln | 20218.17 | 27604.08 | 6341.06 | 4782.25 | 16600.00 | 3456.86 | 5000.45 | 10149.50 | 2426.50 | 9272.00 | |
| Thr-Glu | 9871.00 | 28587.87 | 7530.89 | 4410.50 | 7680.00 | 3282.33 | 7678.09 | 4426.00 | 809.00 | 3988.50 | |
| Thr-Ile | 66836.50 | 115833.71 | 26322.78 | 22473.00 | 103420.50 | 11385.21 | 26868.64 | 30481.00 | 6531.00 | 20533.00 | |
| Thr-Phe | 8361.17 | 16097.60 | 2124.44 | 2394.50 | 7878.50 | 1043.29 | 1781.10 | 6516.50 | 1442.50 | 4627.00 | |
| Thr-Pro | 153680.50 | 385174.30 | 103217.00 | 98714.50 | 121938.50 | 131758.71 | 190833.73 | 70493.50 | 119658.50 | 76448.00 | |
| Thr-Thr | 32926.09 | 53692.78 | 7724.61 | 7135.00 | 27231.00 | 4010.92 | 10946.45 | 11737.00 | 1379.00 | 10969.50 | |
| Thr-Trp | 1291.50 | 2612.38 | 557.67 | 1706.00 | 2095.50 | 239.33 | 346.00 | 1071.50 | 171.00 | 152.00 | |
| Thr-Tyr | 359550.00 | 154978.25 | 1725.67 | 870.25 | 671.00 | 13672.00 | 1353.33 | 1029.50 | 41.00 | 309.00 | |
| tridecylamine | 2045.25 | 2188.92 | 3226.50 | 1919.25 | 1364.50 | 1378.14 | 2630.55 | 3814.00 | 1904.50 | 2303.00 | |
| Triethanolamine | 32975.92 | 15272.96 | 13874.67 | 5531.00 | 7046.00 | 10613.79 | 9854.91 | 30627.00 | 16260.50 | 31496.00 | |
| Trigonelline | 32152.08 | 12738.83 | 34185.28 | 17957.50 | 299954.50 | 27719.29 | 29711.00 | 18931.50 | 9399.00 | 1948.50 | |
| Triisopropanolamine | 16217.42 | 20640.12 | 28618.33 | 14999.75 | 23809.50 | 15529.43 | 17541.45 | 34297.50 | 16880.50 | 21764.00 | |
| Trimethylbenzene | 12792.17 | 8098.17 | 12314.56 | 39194.50 | 19563.50 | 15329.21 | 18478.09 | 8041.00 | 11035.50 | 6974.00 | |
| Trp-Gly | 10933.33 | 17828.71 | 1628.18 | 1582.00 | 5197.00 | 1033.75 | 6795.40 | 2557.00 | 240.50 | 12660.00 | |
| Trp-Thr | 8379.80 | 36375.14 | 496.12 | 24.00 | 5084.00 | 3260.00 | 5470.67 | 166.00 | - | 1586.00 | |
| Trp-Trp | 1817.71 | 3885.19 | 363.00 | 605.50 | 2995.00 | 103.67 | 622.33 | 311.00 | 60.00 | 80.00 | |
| Trp-Tyr | 3081.90 | 3669.38 | 361.36 | 524.33 | 1968.50 | 267.00 | 494.00 | 569.50 | 389.50 | 181.00 | |
| Trp-Val | 4858.50 | 9006.70 | 3422.44 | 2753.25 | 7677.00 | 2022.57 | 3106.36 | 2975.00 | 1597.50 | 1577.50 | |
| Tryptamine | 689.58 | 9911.94 | 856.29 | 2032.33 | 747.00 | 12713.71 | 12840.36 | 2024.50 | 1998.00 | 539.00 | |
| Tryptophan | 62070186.83 | 200629010.42 | 60442766.06 | 48740125.00 | 39495945.00 | 70640835.64 | 90499543.36 | 59428980.00 | 71211766.50 | 88416898.50 | |
| Tyramine | 6574.92 | 92613.25 | 8861.00 | 48761.25 | 22354.50 | 145655.57 | 105442.09 | 50798.50 | 4551.50 | 98045.00 | |
| Tyr-Leu | 49655.50 | 73677.78 | 14192.28 | 24956.25 | 121388.50 | 4855.64 | 14186.09 | 26219.50 | 2635.00 | 9837.00 | |
| Tyrosine | 86643918.33 | 250744165.17 | 97568637.61 | 65054988.00 | 70136779.00 | 77322718.00 | 115419342.00 | 68669636.50 | 100573906.00 | 85706993.50 | |
| Tyr-Pro | 30480.00 | 64768.21 | 25000.83 | 20203.50 | 33900.50 | 29725.00 | 39555.36 | 15621.00 | 17997.50 | 24312.00 | |
| Tyr-Tyr | 646.25 | 1482.44 | 404.14 | 193.50 | 239.00 | 315.67 | 71.17 | 563.00 | 985.50 | 379.00 | |
| Tyr-Val | 7388.33 | 17527.21 | 3371.72 | 4174.25 | 19825.00 | 1514.79 | 3040.36 | 6135.00 | 723.50 | 1518.00 | |
| Ureidopropionic acid | 1184650.92 | 2893798.67 | 2248600.83 | 2163513.75 | 3392831.50 | 6374909.93 | 3864965.45 | 5226735.50 | 565839.50 | 3487186.50 | |
| Uric acid | 38344.17 | 36378.86 | 50451.00 | 80138.67 | 174744.50 | 27880.50 | 17353.78 | 31491.50 | 58198.50 | 3097.50 | |
| Urocanic acid | 1533596.25 | 1666774.83 | 3140685.39 | 1165909.50 | 1728015.50 | 3396749.50 | 1382683.00 | 768244.00 | 3271408.00 | 3790389.00 | |
| Val-Ala | 160708.33 | 311640.78 | 64779.33 | 70085.00 | 198539.00 | 34196.50 | 98310.45 | 71646.50 | 15738.00 | 57318.00 | |
| Val-Arg/Val-Arg | 33969.73 | 19974.76 | 7925.61 | 16162.00 | 17719.50 | 3998.21 | 12722.27 | 16173.50 | 3538.00 | 3276.00 | |
| Val-Asn | 8131.67 | 28428.23 | 3769.83 | 5428.33 | 10908.00 | 1815.43 | 2923.44 | 5338.50 | 2330.50 | 2968.00 | |
| Val-Asp | 11243.58 | 35273.39 | 5194.00 | 5581.00 | 12850.50 | 3983.31 | 13343.73 | 7040.50 | 2483.50 | 12228.50 | |
| Val-Gln | 15595.75 | 43658.61 | 8155.24 | 4538.67 | 16375.50 | 1268.83 | 2322.09 | 4288.50 | 172.00 | 1345.50 | |
| Val-Glu/Leu-Asp/Ile-Asp/Asp-Leu/Asp-Ile | 10386.92 | 4532.04 | 6623.33 | 4721.50 | 3794.00 | 4368.64 | 6662.36 | 3473.50 | 53229.50 | 11279.50 | |
| Val-Gly | 18059.83 | 35291.33 | 8585.67 | 3974.50 | 13155.00 | 3351.43 | 7947.82 | 9755.00 | 1346.00 | 5828.50 | |
| Val-His | 21584.36 | 24680.32 | 1387.00 | 1150.67 | 2237.00 | 1989.75 | 1512.38 | 6796.00 | 238.00 | 434.00 | |
| Valine | 362782061.75 | 733762950.71 | 308273671.83 | 291422207.25 | 810758439.00 | 413014866.57 | 496464031.82 | 355384662.00 | 230660532.00 | 261231696.50 | |
| Valine-d8 [iSTD] | 91287.42 | 139779.71 | 83193.56 | 78012.25 | 98821.50 | 84067.36 | 84556.55 | 72593.50 | 57649.50 | 87351.00 | |
| Val-Lys | 224724.83 | 248022.78 | 194211.17 | 211177.00 | 357891.50 | 160528.79 | 173294.55 | 270542.00 | 175620.50 | 10654.50 | |
| Val-Met | 4615.25 | 7973.55 | 1790.50 | 1582.25 | 6283.50 | 711.77 | 953.45 | 2321.00 | 391.00 | 1890.00 | |
| Val-Pro | 27359.00 | 89372.96 | 15887.22 | 5699.25 | 44786.00 | 14406.93 | 34430.36 | 7894.00 | 3848.00 | 15719.50 | |
| Val-Ser | 7118.64 | 15851.04 | 2616.89 | 2262.00 | 9171.00 | 971.23 | 3519.22 | 3202.00 | 286.50 | 1017.00 | |
| Val-Trp | 7798.25 | 16192.87 | 2796.67 | 1909.75 | 7456.50 | 503.21 | 1739.90 | 4153.00 | 113.50 | 1377.00 | |
| Val-Tyr | 3988.67 | 7002.15 | 1306.94 | 1269.75 | 4699.50 | 639.86 | 912.82 | 2537.00 | 906.50 | 812.00 | |
| Venlafaxine | 4027.90 | 10847.00 | 5615.69 | 4471.75 | 817.00 | 4115.92 | 4943.20 | 8318.00 | 14974.00 | 2255.00 | |
| Xanthine | 778031.50 | 823682.62 | 1079091.44 | 501353.25 | 646044.50 | 949593.79 | 566968.09 | 684106.50 | 1301519.50 | 777954.50 | |
| Xanthosine | 16838.75 | 18439.24 | 7967.12 | 16308.25 | 24824.50 | 9619.55 | 10052.67 | 13650.00 | 1854.00 | 4510.00 |
Factors:
| F1 | collectionWeek:0 | PUCAI_C3_WKall:mild |
| F2 | collectionWeek:0 | PUCAI_C3_WKall:moderate/severe |
| F3 | collectionWeek:12 | PUCAI_C3_WKall:inactive |
| F4 | collectionWeek:12 | PUCAI_C3_WKall:mild |
| F5 | collectionWeek:12 | PUCAI_C3_WKall:moderate/severe |
| F6 | collectionWeek:4 | PUCAI_C3_WKall:inactive |
| F7 | collectionWeek:4 | PUCAI_C3_WKall:mild |
| F8 | collectionWeek:4 | PUCAI_C3_WKall:moderate/severe |
| F9 | collectionWeek:52 | PUCAI_C3_WKall:inactive |
| F10 | collectionWeek:52 | PUCAI_C3_WKall:moderate/severe |
