Data for ST003201
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 |
|---|---|---|---|---|---|---|
| 11a-Hydroxyprogesterone | 6927.20 | 5898.67 | 8852.80 | 6534.50 | 7992.00 | |
| 1-Methyladenosine | 6019.25 | 6764.00 | 7141.11 | 5984.00 | 7665.40 | |
| 2,3-Diaminopropionic acid | 17062.00 | 7923.67 | 5321.00 | 5741.50 | 5960.80 | |
| 2,4-Diaminobutyric acid | 14037.80 | 15619.67 | 11468.60 | 15091.14 | 13689.00 | |
| 2,5-Furandicarboxylic acid | 2230.40 | 1164.33 | 1875.60 | 1669.50 | 1203.20 | |
| 2-Hydroxyadenine | 2134.89 | 5616.33 | 4281.80 | 3842.25 | 1441.40 | |
| 2-Hydroxyphenethylamine | 1281.75 | 1735.60 | 1438.44 | 2623.50 | 1486.60 | |
| 2-Methoxyestradiol | 1460.67 | 774.80 | 1354.44 | 1028.50 | 528.00 | |
| 2-Oxoarginine | - | 1408.67 | - | 2320.86 | 926.33 | |
| 3,4,5-Trimethoxycinnamic acid | 1593.80 | 1159.67 | 1491.40 | 1322.75 | 1085.00 | |
| 3-Hexenedioic acid | 18634.60 | 15492.67 | 15263.40 | 23031.75 | 11463.60 | |
| 3-Indolepropionic acid | 5123.78 | 8761.67 | 2626.40 | 7744.75 | 7590.60 | |
| 3-Methylindole | 21512.00 | 20645.67 | 18705.33 | 21424.00 | 22595.20 | |
| 4-Aminohippuric acid | 1489.78 | 1644.67 | 1503.00 | 850.40 | 1300.25 | |
| 4-Hydroxyproline | 1963.60 | 1786.33 | 1813.20 | 1518.50 | 1397.60 | |
| 5-Aminolevulinic acid | 1064.00 | 956.67 | 886.40 | 830.50 | 672.80 | |
| 5-Hydroxy-L-tryptophan | 1261.80 | 1831.00 | 1283.20 | 4149.25 | 1660.40 | |
| 5-Methoxysalicylic acid | 1433.80 | 765.60 | 893.00 | 1190.86 | 1034.20 | |
| 5-Methoxytryptophol | 1371.00 | 407.67 | 616.80 | 582.00 | 1042.60 | |
| 5-Methylcytidine | 74497.80 | 80747.67 | 79568.00 | 52280.00 | 78377.60 | |
| 5^-Methylthioadenosine | 16071.80 | 12360.00 | 19285.40 | 17324.50 | 12592.60 | |
| 6-Phosphogluconic acid | 826.40 | 1164.67 | 647.60 | 820.50 | 987.40 | |
| 7-Dehydrocholesterol | 593.67 | 4310.33 | 418.00 | 1802.50 | 4754.00 | |
| 7-Ketocholesterol | 474.25 | 7358.00 | 481.25 | 20719.50 | 5572.40 | |
| 7-Methylguanine | 3288.67 | 3129.00 | 2532.67 | 3443.71 | 3075.40 | |
| Acetoin | 1169.78 | 1405.67 | 1233.00 | 1125.75 | 1236.20 | |
| Acetone | 1037.20 | 1167.33 | 1319.80 | 1304.75 | 1169.40 | |
| Acetylcysteine | - | 3051.67 | - | 1608.50 | 1599.60 | |
| Adenine | 4647.80 | 3541.67 | 6056.40 | 4264.00 | 3738.40 | |
| Adenosine | 7815.33 | 2140.33 | 12398.00 | 5070.00 | 3371.60 | |
| Adenosine monophosphate | 1687.40 | 1690.33 | 1711.40 | 2110.25 | 1625.40 | |
| Aldosterone | - | 5620.00 | 552.00 | 5177.50 | 3177.11 | |
| All-trans-retinoic acid | 5005.00 | 5853.00 | 3169.20 | 7637.00 | 7872.60 | |
| Alpha-Aspartyl-lysine | 1704.60 | 1344.00 | 1392.60 | 1534.33 | 1500.00 | |
| Anserine | 905.00 | 1636.40 | 562.80 | 1272.86 | 369.00 | |
| Aspartame | 51113.20 | 30027.67 | 37055.40 | 34477.25 | 39918.40 | |
| Benzocaine | 16237.00 | 9086.00 | 11603.00 | 9902.00 | 13094.20 | |
| Benzoic acid | 6686.22 | 6588.00 | 6945.80 | 8624.33 | 7253.60 | |
| Betaine | 12948.60 | 10516.33 | 11287.40 | 12701.75 | 12427.00 | |
| Canavanine | 2893.40 | 2091.00 | 2432.20 | 2525.67 | 2051.40 | |
| Cholesterol sulfate | 748.00 | 6566.33 | - | 3336.00 | 2997.00 | |
| Cis-Aconitic acid | 857.67 | 586.00 | 1005.56 | 1284.00 | 966.00 | |
| Cortexolone | 17757.00 | 11655.33 | 56278.40 | 24673.25 | 30784.80 | |
| Cortisol | 541.20 | 8441.67 | 3868.80 | 15284.75 | 6325.00 | |
| Creatine | 7409.40 | 5874.67 | 4612.00 | 9693.25 | 2747.60 | |
| Cytidine | 24935.00 | 727.67 | 27080.60 | 1126.29 | 567.60 | |
| Cytosine | 17040.00 | 1396.67 | 17957.40 | 1492.75 | 810.33 | |
| Daidzein | 1149.78 | 905.20 | 520.00 | 892.75 | 1116.40 | |
| Deoxycytidine | 9473.56 | 1738.00 | 9863.60 | 937.60 | 615.50 | |
| D-Glucurono-6,3-lactone | 1214.89 | 837.20 | 1316.20 | 800.50 | 824.22 | |
| Diaminopimelic acid | 1702.00 | 610.00 | 1843.20 | 648.50 | 1162.40 | |
| Dimethylmalonic acid | 1630.25 | 534.80 | 1600.44 | 1061.75 | 1206.67 | |
| DL-2-aminooctanoic acid | 17716.20 | 19064.67 | 18037.60 | 21971.50 | 17479.40 | |
| D-Limonene | 552.89 | 1178.33 | 1300.00 | 802.75 | 1444.44 | |
| D-Lysine | 332.50 | 993.60 | 264.20 | 2435.43 | 1460.00 | |
| Dodecanedioic acid | 2427.20 | 2327.67 | 2190.00 | 2461.25 | 2807.56 | |
| DUMP | 1520.60 | 1812.00 | 1892.89 | 1776.86 | 2041.78 | |
| Elaidic acid | 967.00 | 3055.33 | 892.00 | 4906.75 | 10324.60 | |
| Epicatechin | 2180.67 | 2226.00 | 1942.60 | 1205.25 | 2051.20 | |
| Ethanolamine | 6264.40 | 8704.33 | 6188.00 | 6645.25 | 10503.80 | |
| Genistein | 878.00 | 817.67 | 412.00 | 925.00 | 1056.89 | |
| Glutathione | 2888.40 | 1924.00 | 3221.80 | 1872.75 | 2740.60 | |
| Glycerophosphocholine | 25154.20 | 26720.33 | 26757.60 | 16173.25 | 27742.20 | |
| Glycine | 1257.40 | 1111.33 | 1216.60 | 1287.25 | 1415.60 | |
| Guanosine | 9474.50 | 25021.00 | 12669.00 | 23724.00 | 8485.67 | |
| Hematoporphyrin IX | 836.60 | 65331.33 | 787.25 | 96220.00 | 19042.50 | |
| Heptadecanoic acid | 3729.40 | 3589.33 | 5571.80 | 2756.75 | 4295.40 | |
| Hippuric acid | 5644.40 | 8719.33 | 1119.60 | 10542.25 | 9157.60 | |
| Homovanillic acid | 1787.20 | - | 779.56 | 142.00 | - | |
| Hydroxyindoleacetic acid | 2270.40 | 3174.33 | 1994.00 | 4098.75 | 2938.80 | |
| Hydroxyisocaproic acid | 1081.33 | 1060.67 | 1298.44 | 1098.57 | 1119.67 | |
| Hypoxanthine | 119058.80 | 72076.00 | 171979.40 | 107303.25 | 114157.80 | |
| Indole | 161921.00 | 147361.33 | 132724.20 | 163715.00 | 169173.80 | |
| Indole-3-carboxylic acid | 1219.20 | 1150.80 | 923.80 | 1196.00 | 1041.20 | |
| Indoleacrylic acid | 670514.00 | 652921.67 | 621475.00 | 685039.50 | 694576.60 | |
| Indolelactic acid | 3522.40 | 6757.33 | 1778.00 | 8295.00 | 5317.60 | |
| Inosine | 82257.60 | 65991.00 | 101791.40 | 71896.75 | 72194.80 | |
| Isocitric acid | 36746.60 | 32838.67 | 27852.60 | 36726.00 | 27050.80 | |
| Isovalerylcarnitine | 50179.00 | 50644.33 | 40637.60 | 91762.75 | 61484.40 | |
| Kynurenic acid | 1546.80 | 2069.00 | 1154.40 | 2216.00 | 2464.60 | |
| L-Acetylcarnitine | 273369.00 | 225648.33 | 218987.00 | 354891.50 | 170350.40 | |
| L-Alanine | 1590.80 | 969.00 | 1157.20 | 1260.00 | 828.40 | |
| L-Arginine | 7227.00 | 5357.00 | 4969.00 | 7487.75 | 6744.80 | |
| L-Aspartyl-L-phenylalanine | 1079.60 | 905.33 | 1101.60 | 937.75 | 1041.80 | |
| L-Carnitine | 13428.40 | 14742.00 | 14595.00 | 12611.00 | 13482.80 | |
| L-Dopa | 1102.00 | 901.00 | 1124.20 | 699.71 | 631.00 | |
| Levoglucosan | 3228.00 | 1668.33 | 4164.40 | 1582.00 | 1566.60 | |
| L-Fucose | 1057.60 | 1333.00 | 976.00 | 1161.50 | 756.00 | |
| L-Glutamine | 1390.60 | 1455.67 | 1111.40 | 906.75 | 1193.00 | |
| Linoleic acid | 8457.60 | 2917.67 | 4642.40 | 3599.33 | 4205.40 | |
| L-Kynurenine | 2039.80 | 2564.67 | 1547.00 | 3241.75 | 2350.80 | |
| L-Leucine | 12531.20 | 11560.40 | 11270.00 | 17456.75 | 13002.80 | |
| L-Methionine | 8866.00 | 8276.33 | 8232.22 | 8887.00 | 8175.60 | |
| L-Norleucine | 15377.20 | 8826.33 | 9280.60 | 10551.75 | 12839.20 | |
| L-Phenylalanine | 79324.40 | 67096.33 | 65063.80 | 76231.25 | 71389.20 | |
| L-Proline | 830.40 | 1726.33 | 498.20 | 3392.75 | 1155.40 | |
| L-Tryptophan | 204683.20 | 180954.33 | 170440.80 | 202382.75 | 200619.00 | |
| L-Tyrosine | 15233.50 | 24152.67 | 1434.57 | 1488.75 | 1839.00 | |
| L-Valine | 6667.20 | 4167.00 | 4914.00 | 4306.50 | 5821.20 | |
| m-Coumaric acid | 1288.80 | 1066.33 | 1121.40 | 906.25 | 1249.40 | |
| m-Cresol | 12453.20 | 10029.67 | 9893.40 | 12428.75 | 11394.44 | |
| Methylhippuric acid | 2664.22 | 2407.00 | 1390.60 | 2875.25 | 1326.20 | |
| Metoprolol | 2747.60 | 1901.67 | 2613.60 | 1990.00 | 1966.60 | |
| Myristic acid | 4476.44 | 4245.33 | 3872.40 | 4248.50 | 5563.40 | |
| N1-Acetylspermine | 1856.67 | 958.50 | 1295.80 | 1062.50 | 1152.40 | |
| N-Acetyl-L-phenylalanine | 1175.00 | 920.67 | 936.00 | 1096.00 | 923.78 | |
| Naproxen | 2513.25 | 2868.00 | 1945.78 | 2370.75 | 2541.11 | |
| Naringenin | 4092.67 | 2521.33 | 1089.33 | 1102.25 | 2011.60 | |
| Niacinamide | 6053.60 | 4436.33 | 5893.60 | 5229.00 | 3512.60 | |
| N-Methylhydantoin | 1235.60 | 1745.33 | 1588.00 | 1861.50 | 1207.00 | |
| Normetanephrine | 2094.40 | 1470.67 | 1676.80 | 1562.25 | 1987.20 | |
| Nutriacholic acid | 28655.20 | 28164.67 | 19631.20 | 34112.25 | 84201.00 | |
| Octadecanedioic acid | 7893.00 | 8713.33 | 5042.80 | 12619.00 | 7185.60 | |
| o-Tyrosine | 8562.60 | 6240.33 | 7518.80 | 6251.00 | 8491.80 | |
| Oxypurinol | 11986.80 | 4148.33 | 14136.20 | 8603.25 | 9860.60 | |
| Pantothenic acid | 29656.80 | 31044.67 | 20607.20 | 43533.00 | 28489.00 | |
| Phenol | 2681.14 | 2580.00 | 2262.22 | 3017.43 | 2307.40 | |
| Phenylacetaldehyde | 2093.78 | 1277.00 | 758.00 | 984.25 | 947.80 | |
| Phenylpropiolic acid | 3094.00 | 2970.00 | 6352.00 | 3780.00 | 649.33 | |
| Pipecolic acid | 1144.00 | 1044.33 | 1689.78 | 1609.25 | 1025.78 | |
| p-Octopamine | 2696.00 | 2233.00 | 1382.40 | 1635.25 | 2381.20 | |
| Pyridine | 4495.20 | 3369.33 | 3496.80 | 5299.14 | 2056.20 | |
| Pyridoxine | 290.00 | 1599.00 | 260.50 | 3635.00 | 853.78 | |
| Pyrrolidonecarboxylic acid | 18375.33 | 37372.00 | 13380.80 | 26934.25 | 18982.20 | |
| Pyruvaldehyde | 1087.11 | 1004.00 | 1187.40 | 1243.67 | 1099.33 | |
| Riboflavin | 6576.00 | 7197.67 | 5158.40 | 7437.75 | 5790.00 | |
| Ribothymidine | 6368.60 | 4633.20 | 6095.80 | 4008.00 | 4667.00 | |
| Saccharopine | 1160.40 | 1789.00 | 1231.60 | 2486.00 | 2672.20 | |
| Salbutamol | 1798.25 | 1023.60 | 1571.00 | 1708.57 | 1004.00 | |
| Scopolamine | 2664.20 | 2913.00 | 2664.40 | 2734.50 | 2400.20 | |
| Serotonin | 24755.00 | 26166.00 | 25781.40 | 10043.25 | 24724.60 | |
| Spermine | 1001.25 | 1780.50 | 1435.56 | 563.00 | 674.00 | |
| Sphinganine | 9638.80 | 16644.00 | 7872.80 | 18607.75 | 7692.20 | |
| Sphingosine | 32387.00 | 38432.67 | 23736.00 | 39701.75 | 17651.00 | |
| Succinylacetone | 7442.40 | 9353.00 | 8948.20 | 2879.50 | 8141.20 | |
| Taurocholic acid | 10592.80 | 1723.67 | 6148.00 | 1236.00 | 1008.80 | |
| Tetrahydrocortisone | - | 1109.60 | - | 1613.43 | 764.20 | |
| Thymine | 3591.60 | 2889.67 | 3548.60 | 2102.50 | 2501.20 | |
| Thyroxine | 3073.40 | 1646.67 | 3096.40 | 1042.50 | 1811.40 | |
| Trans-Aconitic acid | 1970.00 | 2066.80 | 1405.56 | 2222.50 | 1378.80 | |
| Trans-Cinnamic acid | 1226.25 | 888.33 | 296.67 | 546.86 | 929.40 | |
| Traumatic acid | 1108.20 | 750.33 | 989.00 | 943.75 | 964.80 | |
| Triamterene | 285.00 | 2534.67 | 258.00 | 3751.43 | 953.00 | |
| Trimethylamine | 36634.60 | 29439.00 | 37690.60 | 48094.75 | 24081.40 | |
| Tryptophanol | 2415.00 | 762.67 | 1170.80 | 996.50 | 1328.00 | |
| Tyramine | 1304.20 | 1013.00 | 1230.80 | 868.25 | 910.44 | |
| Uracil | 3544.50 | 5023.00 | 3348.22 | 5094.67 | 5025.60 | |
| Urea | 7765.00 | 5151.33 | 7235.00 | 7014.50 | 5202.40 | |
| Uric acid | 127159.20 | 118628.67 | 139074.60 | 103190.25 | 138669.40 | |
| Uridine | 4222.20 | 5012.00 | 4073.56 | 6227.75 | 3291.00 | |
| Urocanic acid | 2369.14 | 3676.40 | 1599.20 | 2440.25 | 1120.20 | |
| Xanthosine | 5353.20 | 2144.00 | 5885.40 | 4467.50 | 5220.20 |
Factors:
| F1 | Sample source:Blood Serum | Group:Negative Control |
| F2 | Sample source:Blood Serum | Group:Nonresponders |
| F3 | Sample source:Blood Serum | Group:Positive Control |
| F4 | Sample source:Blood Serum | Group:Responders |
| F5 | Sample source:Blood Serum | Group:Vehicle Control |
