Data for ST001688
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | - | - | - | - | - | - | - | - | - | - | - | - | 2727.72 | 31166.33 | |
| 1,3-DIAMINOPROPANE | - | - | - | - | - | - | - | - | - | - | - | 38607.17 | - | 9088.57 | |
| 1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE | - | - | - | - | - | - | - | - | - | - | 12732.44 | - | - | 92666.30 | |
| 1,6-ANHYDRO-B-GLUCOSE | 121039.73 | 58484.78 | 49118.43 | 59172.86 | 83978.54 | 64276.60 | 17524.48 | 61875.93 | 107375.13 | 79361.17 | 17023.96 | 597125.27 | 14667.27 | 144724.40 | |
| 1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID | 252241.47 | 93224.15 | 278420.36 | 281207.75 | 416449.67 | 203543.75 | 125169.24 | 171691.21 | 118118.31 | 5161.31 | 19193.31 | 38001.46 | 14600.68 | 894478.19 | |
| 1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE | - | - | - | - | - | - | - | - | 3682.95 | - | - | - | - | - | |
| 1-METHYLADENOSINE | 17966.50 | 7255.42 | 8620.34 | 7958.08 | 11388.18 | 34138.61 | 1550.92 | - | 43247.11 | - | - | - | 1747.91 | 27936.79 | |
| 1-METHYLGUANIDINE | 78754.77 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 1-METHYL-HYDANTOIN | 22908.46 | 13035.91 | - | 15898.00 | 14862.46 | 12151.84 | 6537.81 | 33675.50 | 18692.41 | - | - | 61180.02 | - | 42477.00 | |
| 1-METHYLNICOTINAMIDE | - | - | - | - | 1029.33 | 4195.88 | - | - | 20927.88 | - | - | - | - | - | |
| 2-(4-HYDROXYPHENYL)PROPIONIC ACID | 13315.15 | 94016.78 | 11827.84 | 11714.52 | 68632.42 | 60694.53 | 19691.44 | 17388.50 | 83200.21 | 3034.20 | - | 24151.61 | - | 67355.36 | |
| 2,6-DIAMINOHEPTANEDIOIC ACID | - | - | - | - | 13904.79 | - | - | - | 43993.80 | - | - | - | 12233.72 | 235978.66 | |
| 2-AMINO-2-METHYLPROPANOIC ACID|2-AMINOBUTYRIC ACID|3-AMINOIS... | 836111.75 | 39338.61 | - | 158581.18 | 269998.58 | - | - | - | 65623.33 | 3302.19 | - | 27067.20 | - | - | |
| 2-AMINOBENZOIC ACID | 46457.33 | 12865.41 | 15220.83 | 7360.61 | 13378.88 | 5351.20 | 9684.87 | 5303.00 | 31749.31 | 1126.46 | - | 28770.17 | - | - | |
| 2-AMINOPHENOL | - | - | - | - | - | - | - | - | - | 7642.03 | - | - | 58725.88 | - | |
| 2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE | - | - | - | - | - | - | - | - | 4951.56 | - | - | - | - | - | |
| 2^-DEOXYURIDINE 5^-MONOPHOSPHATE | - | - | - | - | - | - | - | - | - | - | - | - | 2046.80 | - | |
| 2-ETHYL-2-HYDROXYBUTYRIC ACID | - | - | - | - | - | - | - | - | - | - | 1182.22 | - | - | - | |
| 2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE | - | - | - | - | - | - | - | - | - | - | 752.73 | 31100.51 | - | - | |
| 2-HYDROXY-2-METHYLBUTYRIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | 7100.37 | - | |
| 2-HYDROXY-4-METHYLPENTANOIC ACID | - | - | - | - | - | - | - | - | - | - | 3479.29 | - | - | - | |
| 2-HYDROXYBUTYRIC ACID|ALPHA-HYDROXYISOBUTYRIC ACID | - | 573.29 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 2-HYDROXYHEXANEDIOIC ACID|3-HYDROXY-3-METHYLGLUTARIC ACID | - | - | - | - | - | 4419.39 | - | - | - | - | - | - | - | - | |
| 2-HYDROXYPHENYLACETIC ACID | - | 3094.48 | - | - | 2663.17 | - | - | - | 9653.05 | - | - | - | - | - | |
| 2-ISOPROPYLMALIC ACID | - | - | - | - | - | - | - | - | - | - | - | 10432.49 | - | - | |
| 2-METHOXYCINNAMALDEHYDE | - | - | - | - | - | - | - | - | - | - | - | - | 2705.26 | - | |
| 2-METHYLBUTYRYLGLYCINE | 27036.55 | 7513.56 | 15349.72 | 10649.68 | 6239.54 | 29480.65 | - | - | 48637.92 | 1292.14 | - | - | 550.83 | - | |
| 3,4-DIHYDROXY-PHENYLALANINE | - | - | - | - | - | - | - | - | - | - | - | - | - | 42754.72 | |
| 3-AMINOSALICYLIC ACID | - | - | - | - | - | 17164.53 | - | - | - | 1046.65 | - | 15976.46 | - | 34838.40 | |
| 3-CHLORO-TYROSINE_PEAK2 | - | - | - | - | - | - | - | - | - | - | - | - | - | 29160.00 | |
| 3^-CMP | 8067.43 | 7369.17 | - | 5677.80 | 8536.78 | 4953.04 | - | 7411.86 | 11827.67 | 1442.50 | 2460.69 | - | 1300.55 | - | |
| 3-HYDROXY-2-METHYL-4-PYRONE | - | 49665.44 | 32123.31 | 28957.06 | 26177.71 | 16987.17 | - | 19586.71 | 45322.01 | 2083.80 | - | - | 13790.35 | 138599.15 | |
| 3-HYDROXYBUTYRIC ACID | - | - | - | - | - | - | - | - | - | 1310.50 | - | - | - | - | |
| 3-HYDROXYGLUTARIC ACID | - | - | - | - | - | - | - | - | - | 25952.07 | - | 237310.85 | - | - | |
| 3-HYDROXYKYNURENINE | 61011.22 | 48895.78 | 4305.21 | 70544.58 | 33118.00 | 23334.55 | 24650.61 | 10794.79 | 14943.27 | - | - | - | - | 164773.21 | |
| 3-HYDROXYPROPIONIC ACID | - | - | - | - | 5155.17 | 3570.04 | - | 4039.31 | 6955.77 | 2847.40 | - | 33138.41 | - | - | |
| 3-METHOXYTYRAMINE | - | - | - | - | - | - | - | - | 11797.63 | - | - | - | - | - | |
| 3-METHYLADENINE | 21954.30 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 3-PHENYLLACTIC ACID | - | 9137.00 | - | - | - | - | - | - | - | 868.52 | - | 8228.15 | - | - | |
| 3-SULFINO-ALANINE | - | 16627.83 | - | - | - | - | - | - | - | - | - | - | - | - | |
| 4,6-DIOXOHEPTANOIC ACID | - | - | - | - | - | - | - | - | - | 1101.30 | - | - | - | - | |
| 4-ACETAMIDOBUTANOIC ACID | 20074.85 | 11044.09 | 15183.06 | 8369.24 | 7198.12 | 11661.43 | 6607.76 | - | 48163.75 | - | 2874.13 | - | - | 38788.83 | |
| 4-AMINOBENZOIC ACID | 98651.86 | 72085.58 | 90018.05 | 59166.10 | 30743.00 | 57175.07 | 36765.33 | 43624.79 | 126738.96 | - | 10902.49 | 27353.07 | - | 134039.30 | |
| 4-AMINOBUTANOIC ACID | - | - | - | - | - | - | - | - | - | - | 5787.67 | - | 6526.11 | - | |
| 4-ETHYLOCTANOIC ACID | - | - | 3477.39 | - | - | 5708.52 | - | - | 9346.77 | - | - | - | - | - | |
| 4-GUANIDINOBUTANOIC ACID | 51043.62 | - | - | - | 27896.79 | 30564.29 | - | 19986.07 | 49009.22 | - | 10795.13 | - | 5594.11 | - | |
| 4-HYDROXYPHENYL ACETIC ACID | - | 2755.40 | 8563.52 | - | - | 2137.71 | - | - | 7960.85 | - | - | - | - | - | |
| 4-HYDROXYPROLINE|5-AMINOLEVULINIC ACID | - | - | - | - | - | - | - | - | - | 3097.17 | - | 11942.66 | - | - | |
| 4-NITRO-PHENYLALANINE | - | - | - | - | - | - | - | - | - | - | - | 6438.33 | - | - | |
| 4-PYRIDOXIC ACID | - | - | - | - | 2809.59 | 1949.61 | - | - | - | - | - | - | - | - | |
| 4-QUINOLINECARBOXYLIC ACID | - | - | - | - | - | - | - | - | - | - | - | 35337.83 | - | - | |
| 5,6-DIHYDROURACIL | - | - | - | - | - | - | - | - | - | - | - | - | 1493.09 | 50988.57 | |
| 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSIDE | - | - | - | - | - | - | - | - | - | 462.24 | - | 132689.06 | - | 402522.15 | |
| 5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSYL 5^-MONOP... | - | - | - | - | - | 7186.27 | - | - | 13119.75 | - | - | - | - | - | |
| 5-AMINOPENTANOIC ACID|VALINE_PEAK1 | 17662525.14 | 12861440.42 | 13770998.92 | 7951738.68 | 21627333.00 | 9759662.72 | 7373767.65 | 4665939.00 | 13738580.56 | 135647.43 | 3161009.40 | 659841.12 | - | 27930767.85 | |
| 5^-DEOXYADENOSINE | 862.81 | - | 5193.47 | - | - | - | 1228.54 | - | 8296.07 | - | 3927.79 | - | 1306.00 | - | |
| 5-HYDROXYINDOLE-3-ACETIC ACID | - | - | - | - | - | - | - | - | 55923.98 | - | 2116.27 | - | - | - | |
| 5-HYDROXYLYSINE | 130486.95 | 64026.81 | 76762.85 | 44049.69 | 55651.88 | 32497.15 | 26309.31 | 19120.64 | 52877.62 | - | 23880.29 | - | - | 129166.23 | |
| 5-HYDROXY-TRYPTOPHAN | 127742.35 | 82480.72 | 64374.67 | 29516.00 | 97311.29 | 141595.27 | - | 33452.64 | 168194.02 | - | 14010.27 | - | 8966.53 | - | |
| 5-METHYLCYTOSINE | 8711.63 | 3413.14 | - | - | 2608.94 | - | - | - | 5697.25 | - | - | 106865.02 | - | - | |
| 5^-METHYLTHIOADENOSINE | 12719.62 | 8567.75 | - | 2851.97 | 63461.74 | 31637.59 | 2729.60 | 40187.79 | 6268.44 | - | 1351.16 | - | 1260.15 | 102536.20 | |
| 5-METHYLURIDINE_PEAK1 | - | - | - | - | - | - | - | - | - | - | - | - | 15300.56 | - | |
| 5-PHENYLVALERIC ACID | - | - | - | - | - | - | - | - | - | - | 4449.56 | - | - | 77801.28 | |
| 6-HYDROXYNICOTINIC ACID | 2937.46 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| 8-HYDROXYQUINOLINE | 27162.14 | 21203.47 | 24656.73 | 17390.56 | 12975.83 | 25402.43 | 9655.24 | 12799.07 | 76913.73 | - | 4586.64 | - | 228216.78 | 69679.06 | |
| ACETYL-CARNITINE | 28621.77 | 18296.44 | 9633.88 | 13878.74 | 20464.92 | 8501.76 | - | 15553.29 | 18611.54 | - | - | - | - | 23220.47 | |
| ADENINE | 373715.76 | 180140.17 | 830727.96 | 279584.93 | 232616.21 | 540132.12 | 198748.32 | 391424.36 | 680064.70 | 61709.64 | - | 11180.18 | - | 362382.66 | |
| ADENOSINE | 2401603.25 | 975843.34 | 355676.93 | 1021369.54 | 2294882.00 | 2312677.41 | 271631.20 | 948959.18 | 6625728.80 | - | 279318.56 | 10389.90 | 185962.44 | 4926338.11 | |
| ADENOSINE 2^,3^-CYCLIC MONOPHOSPHATE | 425867.97 | 245141.76 | 104868.76 | 251188.46 | 226594.92 | 194682.51 | 122116.24 | 158972.50 | 515721.88 | - | 106736.67 | 5787.29 | 77152.86 | 1059263.32 | |
| ADENOSINE 3^,5^-CYCLIC MONOPHOSPHATE | - | - | - | - | - | - | - | - | 42694.17 | - | - | - | - | - | |
| AGMATINE | 28709.90 | 11753.52 | 6015.56 | 326778.53 | 21908.67 | 37118.23 | 6503.52 | 5768.93 | 14535.12 | 1332.00 | 4997.29 | 8515.09 | 22163.21 | 64127.25 | |
| ALANINE|BETA-ALANINE|SARCOSINE | 792282.73 | 104153.05 | 298267.32 | 312766.69 | 839902.33 | 529752.63 | 266271.33 | 454104.43 | 303678.63 | 7700.37 | 16784.49 | 226342.66 | 16458.68 | 3261369.89 | |
| ALLO-ISOLEUCINE|ISOLEUCINE | - | - | - | - | - | - | - | - | - | 83305.63 | 3028392.69 | 1003497.51 | - | 59653905.81 | |
| ALLOTHREONINE|HOMOSERINE|THREONINE | 722558.18 | 547703.06 | 520507.55 | 390603.79 | 751881.96 | 384927.43 | 281050.00 | 561142.57 | 1068591.05 | 38464.07 | 119501.82 | 247988.39 | 95338.48 | 1490347.68 | |
| ALPHA-AMINOADIPIC ACID | 26666.67 | 38966.50 | 21173.86 | 21780.19 | 27735.08 | - | - | - | - | 132059.50 | - | 61201.88 | - | 64059.47 | |
| ALPHA-GALACTOSE 1-PHOSPHATE|ALPHA-GLUCOSE 1-PHOSPHATE|GLUCOS... | 12597.72 | 39709.58 | 46341.72 | 76455.68 | 80018.29 | 29679.39 | 17725.39 | 57145.29 | 45520.58 | 321883.97 | 22884.29 | - | 27320.06 | 233155.77 | |
| ALPHA-N-ACETYL-GLUTAMINE_PEAK2 | - | - | - | - | - | - | - | - | - | - | - | 6726.24 | - | - | |
| AMILORIDE_PEAK1 | - | - | - | - | - | - | - | - | - | - | - | - | 111358.70 | - | |
| AMILORIDE_PEAK2 | - | - | 204857.80 | - | - | - | - | - | - | - | - | - | - | - | |
| AMINO(4-HYDROXYCYCLOHEXYL)ACETIC ACID | 23344.86 | 10411.70 | - | - | 28837.17 | 5740.66 | 3043.09 | - | 17563.81 | 1103.29 | - | 1928.16 | - | 21158.96 | |
| AMPICILLIN | - | - | - | - | - | - | - | - | 3654.76 | - | - | - | - | - | |
| ANDROSTERONE | - | - | - | - | - | - | - | - | - | - | - | 21129.59 | - | - | |
| ARGININE | - | - | - | - | - | - | - | - | - | 1163.62 | 643147.71 | 2371.96 | 379312.65 | 2501004.91 | |
| ASPARAGINE | 110694.19 | 92844.57 | 18493.27 | 58761.39 | 114863.75 | 67392.88 | 29925.48 | 66915.43 | 212800.96 | - | 8773.20 | - | - | 192101.36 | |
| ASPARTIC ACID | 189316.84 | 102134.24 | 30247.30 | 67243.22 | 158985.79 | - | 34667.80 | 126647.29 | 246363.74 | 5585.92 | 14240.93 | 45288.60 | 13158.20 | 237148.40 | |
| ASP-PHE | 67864.76 | 35309.67 | 65146.34 | 40474.15 | 70461.50 | 72419.81 | 21250.81 | 71921.79 | 138813.01 | - | 7641.40 | - | - | 105406.51 | |
| BETAINE | 5754491.63 | 8688447.73 | 7351668.89 | 6450760.33 | 9327043.08 | 5437824.79 | 4206052.57 | 5912560.21 | 9850043.63 | - | 3113862.02 | 185931.78 | 2473997.14 | 13302073.23 | |
| BETA-LACTOSE|LACTULOSE|MALTOSE|MELIBIOSE|SUCROSE | - | - | - | - | 3913.25 | - | - | 7314.71 | - | - | - | - | - | - | |
| BIOTIN | 21089.97 | - | 15463.45 | - | - | 12445.23 | - | - | 41641.11 | - | - | - | - | - | |
| BIS(2-ETHYLHEXYL)PHTHALATE | 660696.66 | 3188082.47 | 7484204.73 | 6608918.08 | 1520512.71 | 4723976.72 | 903699.65 | 586356.50 | 800222.50 | 252910.10 | 13047.07 | - | 13668.44 | 78324.25 | |
| CADAVERINE | 4763.22 | - | 1042.95 | 1058.80 | 22543.21 | 56127.55 | 80260.43 | - | 1592.21 | - | - | - | - | 466529.49 | |
| CARNITINE | 281645.51 | 235945.81 | 220070.69 | 179359.28 | 280228.33 | 220632.23 | 97720.72 | 776861.64 | 585212.74 | - | 110639.78 | - | 79680.47 | 560483.21 | |
| CARNOSINE | 7688.26 | - | - | - | 8375.79 | 2327.44 | 3960.80 | 14745.21 | 80583.89 | - | 2589.40 | - | 2089.20 | 28707.77 | |
| CHLOROGENIC ACID | - | - | - | - | - | 3556.13 | - | - | - | - | - | - | - | - | |
| CHOLINE | 405587.86 | 29508.08 | 780734.76 | 863534.40 | 714487.00 | 554121.41 | 364238.54 | 672904.93 | 25594.20 | - | 3040.20 | 55428.17 | 2876.01 | 1083643.13 | |
| CIMETIDINE_PEAK1 | 33751.60 | 33176.67 | 14476.91 | 27525.99 | 24173.82 | - | - | - | - | - | - | - | - | - | |
| CINNAMALDEHYDE | 17309.14 | 17913.83 | 19326.74 | 23441.72 | 17116.92 | 13938.76 | 11591.02 | 33710.07 | 78700.02 | - | 4498.29 | - | - | 43327.19 | |
| CINNAMIC ACID | - | - | - | - | - | 6484.51 | - | - | 8592.37 | - | - | - | - | - | |
| CITRULLINE | 182191.64 | 163852.26 | 43265.92 | 89502.24 | 243005.54 | 48763.33 | 48369.28 | 40834.50 | 187397.10 | 1986.16 | 12107.96 | - | 23711.78 | 353058.38 | |
| COPROPORPHYRIN III | 1159.19 | 1591.52 | 436.44 | - | 830.50 | - | - | - | 1784.03 | - | - | - | - | - | |
| CORTISOL | - | - | - | - | - | - | - | - | - | - | - | - | - | 10178.13 | |
| COTININE | - | - | - | - | - | - | - | - | - | - | - | 27860.20 | - | - | |
| CREATINE | 504111.35 | 710118.88 | 568904.14 | 421115.71 | 660254.42 | 516995.24 | 322473.30 | 3656402.21 | 1758479.13 | - | 219198.51 | 6387.37 | 144925.27 | 1053966.25 | |
| CREATININE | 755127.11 | 844725.08 | 612706.86 | 516390.44 | 814473.04 | 506997.61 | 221088.67 | 1233281.71 | 708244.90 | - | 236038.22 | - | 160404.33 | 1579231.42 | |
| CYSTATHIONINE | - | - | - | - | - | - | - | - | - | - | - | - | 625.84 | - | |
| CYSTEINE | 105093.05 | - | 13292.45 | 18835.04 | 15171.00 | 7335.18 | 9656.83 | 14305.42 | 32085.64 | 35987.40 | - | 69551.07 | - | - | |
| CYSTINE | 23961.62 | - | - | - | 2153.00 | 7598.47 | - | 6006.17 | - | 5893.00 | - | 37965.32 | - | - | |
| CYTIDINE | 34160.59 | - | 11617.86 | 21511.43 | 45707.29 | 44434.63 | 4691.79 | 31922.79 | 112719.08 | - | 8453.11 | - | 6232.43 | - | |
| CYTIDINE 2^,3^-CYCLIC MONOPHOSPHATE | 28395.11 | 27190.71 | 13718.08 | 13783.52 | 22706.43 | 21221.04 | 6310.08 | 13543.57 | 25703.95 | - | 4198.44 | - | 2833.16 | 27714.12 | |
| CYTOSINE | 35254.21 | 12117.19 | 9590.85 | 10916.11 | 12582.12 | - | 4894.07 | 9021.21 | 21056.59 | - | 2775.31 | 1144.76 | 5193.41 | 20297.42 | |
| DAMP | - | - | 3721.77 | 4664.69 | 10265.94 | 6549.04 | - | - | 14416.06 | - | 1226.50 | - | 720.20 | - | |
| DEOXYCARNITINE | 22830.14 | 44449.46 | 20110.52 | 54838.50 | 32567.50 | 17322.64 | 10477.50 | 46504.14 | 84314.50 | - | 8555.84 | 3908.53 | 20984.19 | 158831.43 | |
| DEOXYCYTIDINE | - | - | - | - | - | - | - | - | - | - | 20865.87 | - | - | 129847.12 | |
| DEOXYURIDINE | - | - | - | - | - | - | - | - | 2553.75 | - | - | - | - | - | |
| DETHIOBIOTIN | - | - | - | - | - | 17989.19 | - | - | - | 1398.89 | - | 6397.02 | - | - | |
| DIBUTYL SEBACATE | - | - | - | - | - | - | - | - | - | 2886.67 | - | - | - | 811.46 | |
| DOPAMINE_PEAK1 | - | - | - | - | - | 31915.57 | - | - | 84429.37 | 12702.13 | 6977.84 | - | 6354.85 | - | |
| DOXYLAMINE | - | - | - | - | - | - | - | - | - | - | 1201.69 | - | - | - | |
| ELAIDIC ACID|OLEIC ACID|PETROSELINIC ACID | 239756.38 | 411016.17 | 76426.19 | 325636.07 | 64531.38 | 415386.09 | 33129.76 | 39244.79 | 246972.42 | - | 51747.22 | 96193.59 | 16590.26 | 433508.55 | |
| ERYTHRITOL|THREITOL | 7548.14 | - | - | - | - | - | - | - | - | 1740.89 | - | 6073.88 | - | - | |
| ETHANOLAMINE PHOSPHATE | 10542.84 | 7524.23 | 4580.60 | 3606.62 | 6653.62 | 3601.56 | - | - | 39216.60 | - | - | - | - | - | |
| ETHYL 4-AMINOBENZOIC ACID | 53565.10 | 38920.57 | 45914.55 | 36203.43 | - | 39097.04 | - | - | 60238.58 | - | - | - | - | - | |
| FORMONONETIN | - | - | - | - | - | - | - | - | 1283.08 | - | - | - | - | - | |
| FRUCTOSE|GULOSE|MANNOSE|MYO-INOSITOL|SORBOSE | - | - | - | - | - | - | - | - | - | 1263.77 | - | - | - | - | |
| FUMARIC ACID | - | - | - | - | - | - | - | - | - | 2258.83 | - | 4691.28 | - | - | |
| GALACTITOL|MANNITOL | - | 2991.69 | - | - | - | - | - | - | 9503.11 | 1188.88 | - | - | - | 9047.77 | |
| GALACTOSAMINE|GLUCOSAMINE|MANNOSAMINE | - | - | - | - | - | 9882.77 | - | - | - | 6833.10 | - | 92930.00 | 1961.89 | - | |
| GALLIC ACID | - | 10015.79 | - | - | 5329.38 | - | - | - | 4482.80 | - | - | 10519.20 | - | - | |
| GLUCONO-1,5-LACTONE|GULONIC ACID GAMA-LACTONE | - | - | - | - | - | - | - | - | - | 5554.39 | - | 17937.59 | - | - | |
| GLUCOSAMINE 6-PHOSPHATE | - | - | - | - | - | - | - | - | - | - | - | - | 1250.58 | - | |
| GLUCOSAMINE 6-SULFATE | - | - | - | - | - | - | - | - | 2212.76 | - | - | - | - | - | |
| GLUTAMIC ACID|N-METHYL-ASPARTIC ACID | 2013507.40 | 2030055.31 | 1505756.68 | 1430472.00 | 2979176.96 | 1387047.95 | 927560.61 | 1241979.07 | 3393469.77 | 38786.20 | 506456.89 | 75532.63 | 401090.38 | 4570679.06 | |
| GLUTAMINE | 478025.23 | 296367.93 | 69446.42 | 178688.62 | 482012.00 | 202794.71 | 100371.85 | 175008.71 | 306171.99 | 2402.23 | 30574.78 | 5657.07 | - | 871970.72 | |
| GLYCOCHOLIC ACID | - | - | - | - | - | - | - | 2105.86 | 10291.67 | - | - | - | - | - | |
| GLYCYL-GLYCINE | - | - | - | - | - | - | - | - | - | - | - | - | 5170.64 | - | |
| GUANOSINE | 224632.52 | 86518.22 | 136859.45 | 52618.95 | 170333.38 | 427111.59 | 27422.71 | 167188.00 | 1007900.67 | - | - | - | - | - | |
| GUANOSINE 3^,5^-CYCLIC MONOPHOSPHATE | 414470.16 | 257477.74 | 162128.55 | 283332.51 | 204919.00 | 195905.57 | 129664.24 | 234541.07 | - | - | - | - | 27773.47 | - | |
| HEPTADECANOIC ACID | - | - | - | - | - | 12566.19 | - | - | 73759.49 | - | - | - | - | - | |
| HIPPURIC ACID | - | - | - | - | - | 4245.44 | - | - | 14275.79 | - | - | - | - | - | |
| HISTAMINE | 171347.60 | 15140.63 | 14762.58 | 15517.40 | 32284.92 | 33596.05 | 12250.20 | 27329.79 | 166125.79 | - | 4428.13 | - | - | 50621.30 | |
| HISTIDINE | 128225.62 | 52518.68 | 60859.70 | 53174.21 | 70312.58 | 42456.25 | 40204.46 | 39425.71 | - | 3291.40 | 22351.27 | 9163.98 | 20298.60 | 182949.38 | |
| HISTIDINOL | 17510.07 | 8743.92 | 7079.04 | 8150.71 | 12098.83 | - | 4386.80 | - | 14745.29 | 5551.25 | 3170.90 | 4055.62 | - | 23986.13 | |
| HOMOARGININE | 5853.51 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| HOMOCITRULLINE | 38720.75 | 31319.93 | 22366.11 | 20830.83 | 31969.62 | 27448.21 | 12142.44 | 24489.57 | 46404.70 | 2179.78 | 4599.36 | 4189.51 | 3165.86 | 42965.43 | |
| HOMOCYSTEINE THIOLACTONE | - | - | - | - | - | - | - | - | - | 11946.50 | - | - | - | - | |
| HYPOXANTHINE | 2872563.71 | 1982020.60 | 1091714.69 | 2227787.89 | 2435208.54 | 1161758.87 | 1329061.86 | 3871514.21 | 4643427.29 | 3956.60 | 598143.98 | 19026.11 | - | 5949429.49 | |
| INDOLE-3-ETHANOL | 7425.14 | 10077.26 | 11188.12 | 6320.92 | 6972.67 | 5243.77 | 5203.85 | - | 8664.60 | - | 1557.33 | - | - | 15564.79 | |
| INDOLEACETIC ACID | 5857.89 | 12112.36 | - | 4509.25 | 4063.21 | 5346.37 | 5874.30 | - | 10868.33 | - | - | 11949.46 | - | 8709.44 | |
| INDOLEACRYLIC ACID | 4271.08 | 7205.14 | 2601.95 | 7962.56 | 2026.46 | 8126.44 | - | - | 10398.19 | - | - | - | - | - | |
| INDOLELACTIC ACID | 39012.70 | 40495.62 | 72133.37 | 84307.86 | 3874.58 | 58029.64 | 3893.53 | 15203.71 | 30252.19 | 916.86 | 1706.54 | 8159.29 | 1532.86 | 51489.68 | |
| INDOLEPROPIONIC ACID | 9274.96 | 140057.69 | 507.02 | 42807.36 | 290.17 | 650.71 | 26844.09 | - | 1394.25 | - | - | 1558.62 | - | - | |
| INDOLEPYRUVIC ACID | - | - | - | - | - | - | - | - | - | 87129.20 | - | 595796.98 | 1679.35 | 111967.40 | |
| INOSINE | 165932.17 | 90530.58 | 47445.30 | 49311.83 | 217689.70 | 153728.59 | 25377.95 | 174983.92 | 385107.99 | - | 9319.36 | - | - | 286852.67 | |
| IS_2-FLUROPHENYLGLYCINE | 527773.63 | 290547.51 | 309181.41 | 250446.24 | 367947.50 | 273737.97 | 167234.96 | 212615.21 | 664965.60 | 116354.70 | 79814.09 | 474594.49 | 63245.83 | 741667.36 | |
| IS_BR-PHENYLALANINE | 1912088.77 | 1181128.19 | 1283477.25 | 1049966.08 | 1005494.46 | 940666.80 | 584446.93 | 536011.29 | 2049759.36 | 499094.93 | 185785.24 | 4124688.20 | 148580.62 | 1562109.40 | |
| IS_CL-PHENYLALANINE | 3333958.72 | 1924130.36 | 2193243.05 | 1688492.38 | 1652500.62 | 1470686.01 | 1016427.89 | 1002773.79 | 3114200.92 | 594046.03 | 348759.93 | 5206936.20 | 269587.49 | 3125265.66 | |
| IS_D15-OCTANOIC ACID | 95587.59 | 71090.75 | 244544.32 | 140892.46 | 53872.04 | 180714.03 | 28993.22 | 61482.50 | 374116.64 | 3724.50 | - | - | - | 19108.45 | |
| IS_D19-DECANOIC ACID | 43862.26 | 24773.26 | 129301.90 | 49928.29 | 16674.46 | 81540.89 | 10453.76 | 20872.64 | 151519.00 | - | - | - | - | - | |
| IS_D27-TETRADECANOIC ACID | 19471.17 | 16732.19 | 110156.02 | 33917.83 | 9946.04 | 53796.97 | - | 13323.71 | 116075.61 | - | - | - | - | - | |
| IS_D3-LEUCINE | 821666.95 | 552500.97 | 411043.73 | 349234.54 | 538594.08 | 391871.20 | 281208.31 | 240942.64 | 956116.33 | 658709.53 | 64428.67 | 4958737.39 | - | 784169.79 | |
| IS_D3-METHIONINE | 1137349.50 | 628318.03 | 605403.41 | 529713.49 | 712059.04 | 507726.60 | 363129.85 | 417165.64 | 1251633.75 | 282177.77 | 143862.18 | 797884.58 | 102132.81 | 1532465.85 | |
| IS_D5-HIPPURIC ACID (N-D5-BENZOYLGLYCINE) | 284551.17 | 127786.86 | 162903.93 | 112040.93 | 96628.04 | 102286.33 | 88118.17 | 64737.93 | 312065.21 | 208467.40 | 52567.20 | 2783198.95 | 36218.16 | 809236.51 | |
| IS_D5-INDOLEACETIC ACID | 301200.00 | 472403.20 | 601752.92 | 473625.81 | 310233.46 | 265597.56 | 317258.39 | 189450.93 | 433342.25 | 250823.43 | 76385.78 | 3751028.90 | 52706.27 | 608436.67 | |
| IS_D5-PHENYLALANINE_PEAK1 | 527608.79 | 127008.25 | 262656.84 | 66005.97 | 1718.53 | 141143.32 | 12746.93 | 19616.71 | 502798.13 | 89721.03 | 64674.80 | - | - | 586577.83 | |
| IS_D5-PHENYLALANINE_PEAK2 | 1782678.15 | 1234052.64 | 960286.06 | 890838.47 | 1006770.25 | 792058.51 | 679563.57 | 632259.07 | 1871278.83 | 544427.20 | 135080.24 | 6149469.15 | 53422.15 | 1836014.20 | |
| IS_D5-TRYPTOPHAN | 1705549.04 | 993654.75 | 823146.35 | 673806.61 | 885256.17 | 705651.52 | 506407.17 | 470780.79 | 2030359.50 | 548416.17 | 165243.60 | 4805251.76 | - | 2099532.64 | |
| IS_D7-GLUCOSE | - | - | - | - | - | - | - | - | - | 1193.00 | - | 5722.15 | - | 16375.72 | |
| IS_D9-CARNITINE | 83437.68 | 69774.54 | 45009.39 | 46477.56 | 54946.67 | 38440.04 | 19759.11 | 21697.36 | 90825.64 | 247144.07 | 19410.60 | 658987.61 | 14985.05 | 109806.06 | |
| IS_D9-PROGESTERONE | - | - | - | - | 1610462.29 | 1874282.47 | 1022105.83 | 1144698.21 | 4740232.07 | - | 1012389.47 | 1509.86 | - | 3674702.02 | |
| IS_DI-N-OCTYL PHTHALATE-3,4,5,6-D4 | 337913.57 | 138830.46 | 251508.07 | 393061.51 | 207300.54 | 31282.44 | 106750.00 | 207527.07 | 522476.32 | 4975.43 | 15952.71 | - | 21587.54 | 316387.91 | |
| ISOVALERYLGLYCINE | 22380.90 | 11856.21 | 8885.03 | 11418.56 | - | 24526.07 | 6075.17 | - | 43629.68 | - | 1103.09 | 28422.12 | 913.01 | 26447.32 | |
| IS_TRIDECANOIC ACID | 39897.48 | 22914.58 | 156708.56 | 50869.96 | 18420.46 | 81808.24 | 9847.19 | 19746.57 | 135485.46 | - | - | - | - | - | |
| KYNURENIC ACID | - | - | - | - | - | - | - | - | 9565.83 | - | - | - | - | - | |
| LAUROYLCARNITINE | - | - | - | - | - | 490.62 | - | - | - | - | - | - | - | - | |
| LEUCINE|NORLEUCINE | - | - | - | - | - | - | - | - | - | - | - | 873582.07 | 2853091.75 | - | |
| LUMICHROME | 33447.77 | 25679.55 | 54341.72 | 23055.89 | 25326.83 | 61419.21 | 28047.09 | 19142.57 | 75281.90 | 1706.17 | 5489.27 | 19651.32 | - | 22841.32 | |
| LYSINE | 2304866.99 | 1141278.16 | 1390713.83 | 963795.01 | 1348305.21 | 1097396.15 | 511495.91 | 1251492.21 | 3281900.71 | 2185.48 | 550116.02 | 12169.37 | 14630.88 | 3572527.26 | |
| MALIC ACID | 16910.32 | 10895.00 | 8541.72 | 10353.62 | - | 20966.45 | 2150.12 | 7533.64 | 41245.89 | - | 4761.20 | - | 3541.94 | - | |
| MALTOTRIOSE|RAFFINOSE | 17738.62 | - | 3561.33 | - | - | 7911.76 | - | 9690.79 | - | - | - | - | 2204.41 | 10245.28 | |
| MELATONIN | - | - | - | - | - | 3144.48 | - | - | - | - | - | - | - | - | |
| METFORMIN | 12641.81 | 25412.85 | 11676.18 | - | - | - | - | - | - | - | - | - | - | - | |
| METHIONINE | 24793841.26 | 12468749.31 | 13113558.25 | 7922883.72 | 15803260.75 | 10312032.55 | 8738772.56 | 14437825.79 | 26144599.24 | 35705.70 | 2906836.18 | 30344.45 | 2190016.17 | - | |
| METHOXAMINE | - | 43776.03 | 25417.07 | 12135.71 | 25676.62 | 11137.09 | - | 14457.07 | 43646.85 | - | - | - | 5486.48 | 94036.30 | |
| METHYLMALONIC ACID | 24803.59 | 14963.77 | 7160.71 | 17614.88 | 9640.00 | 25631.97 | - | 8161.40 | 50093.92 | - | - | - | 5136.75 | - | |
| METHYL NICOTINIC ACID | - | - | - | - | - | - | - | - | - | - | - | 15312.88 | - | - | |
| METHYLSUCCINIC ACID | - | - | - | - | - | 6800.57 | - | - | - | - | - | - | - | - | |
| N1-ACETYLSPERMINE | 12082.19 | - | - | - | - | - | - | 4314.79 | - | - | 680.64 | - | - | 10080.92 | |
| N6-(DELTA2-ISOPENTENYL)-ADENINE | - | - | - | - | - | - | - | - | - | - | 1674.04 | - | 1876.05 | 27686.91 | |
| N-ACETYL-5-HYDROXYTRYPTAMINE | - | - | - | - | - | - | - | - | 1651.16 | - | - | - | - | - | |
| N-ACETYL-ALANINE | 8781.68 | - | - | - | 2174.40 | 8910.58 | - | - | 24912.12 | - | - | 19636.07 | - | - | |
| N-ACETYL-ASPARTIC ACID | 13697.54 | 8837.59 | 2385.29 | 2488.29 | 9112.17 | 12584.69 | - | 13009.14 | 26577.83 | - | - | - | 2661.69 | - | |
| N-ACETYL-GALACTOSAMINE|N-ACETYL-GLUCOSAMINE|N-ACETYL-MANNOSA... | 7739.16 | 18588.60 | 18838.28 | - | 30391.00 | 14274.89 | 4177.31 | 9031.86 | 18961.77 | - | 6139.69 | - | 1794.78 | 30887.62 | |
| N-ACETYL-GLUTAMIC ACID | 38012.48 | 21058.03 | 17364.80 | 14985.03 | 17530.38 | 22737.52 | 10532.78 | 12451.43 | 63174.20 | 2462.83 | 4025.47 | 42840.32 | 2603.51 | 36596.98 | |
| N-ACETYL-LEUCINE | 138313.67 | 80433.42 | 77584.94 | 76724.21 | 48365.08 | 133355.69 | 47828.69 | 51373.93 | 193628.87 | - | 8910.09 | 11124.37 | 7063.84 | 215682.83 | |
| N-ACETYL-METHIONINE | 45140.80 | 16661.04 | 17700.06 | 17811.97 | 12130.29 | 23262.97 | 9635.59 | 16118.93 | 54135.06 | - | - | - | 1941.00 | 43472.19 | |
| N-ACETYLMURAMIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | - | 37303.60 | |
| N-ACETYLNEURAMINATE | 86566.06 | 99246.08 | 99863.81 | 106821.76 | 152438.71 | 75506.64 | 28078.57 | 79397.93 | 156887.85 | - | - | - | 31456.15 | 255450.47 | |
| N-ACETYL-PHENYLALANINE | 51557.90 | 34700.62 | 44035.27 | 47560.97 | 26633.92 | 141861.71 | 20090.63 | 22052.43 | 245707.89 | - | 5059.98 | - | - | 81188.98 | |
| N-ACETYLPUTRESCINE | 37958.71 | 14509.70 | 6328.85 | 17849.67 | 13030.83 | 13503.63 | 5387.70 | 7377.71 | 23169.96 | 552.50 | 1730.44 | 6214.39 | 3168.58 | 19797.83 | |
| N-ACETYLTRYPTOPHAN | 9394.54 | 8990.28 | 11800.14 | 10775.61 | 5301.46 | 27435.77 | - | - | 49524.90 | - | - | - | 836.67 | - | |
| N-ACETYL-TYROSINE | 13542.76 | 8703.82 | 8383.32 | 7202.57 | - | 26499.07 | - | - | 54571.10 | - | - | - | 2332.25 | 31715.34 | |
| N-ALPHA-ACETYL-ASPARAGINE | 2367.92 | 12284.29 | 4174.02 | 1957.69 | - | 34168.45 | 2216.48 | - | - | - | - | - | - | - | |
| N-ALPHA-ACETYL-LYSINE | 57311.94 | 41517.59 | 15909.38 | 27257.25 | 33158.92 | 45528.63 | 17521.20 | 52355.64 | 147921.86 | - | 17484.18 | - | 13747.17 | 87224.04 | |
| N-AMIDINO-ASPARTIC ACID | - | - | - | - | - | - | - | - | - | - | - | 69825.05 | - | - | |
| N-BENZYLFORMAMIDE | - | - | - | 14756.08 | - | 30062.67 | - | 14348.57 | 40812.33 | - | - | - | - | 62745.30 | |
| N-BUTYRYLGLYCINE | 10483.90 | 4010.34 | - | 2157.57 | - | 9938.89 | - | - | 10174.75 | 3727.89 | - | 10142.05 | - | 12926.23 | |
| NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | - | - | - | - | - | - | - | - | - | - | 2616.33 | - | 1653.77 | 10990.51 | |
| N-FORMYL-METHIONINE | - | - | - | - | - | - | - | - | 5894.39 | - | - | - | - | - | |
| NICOTINAMIDE | 318526.01 | 125325.73 | 1472213.56 | 285216.22 | 487570.83 | 508035.09 | 384409.80 | 149366.21 | 1309010.33 | 10987.31 | 190327.81 | 25758.44 | - | 1357772.62 | |
| NICOTINIC ACID|PICOLINIC ACID | 1421329.10 | 1013456.85 | 386581.71 | 766943.28 | 954925.00 | 635555.69 | 376225.61 | 1037966.64 | 1724960.06 | - | 325070.56 | - | - | 2079885.77 | |
| N-METHYL-GLUTAMATE | - | - | - | - | - | - | 7870.52 | 14180.21 | 31853.85 | 12305.17 | 8197.73 | 52441.39 | 5789.25 | - | |
| N-METHYLNICOTINAMIDE | - | 9862.62 | 4891.80 | 10353.59 | - | - | - | - | 46673.72 | 7407.60 | - | 36163.02 | - | - | |
| N,N-DIMETHYLGLYCINE | - | - | - | - | - | - | - | - | - | - | 5657.09 | - | - | - | |
| O-ACETYL-SERINE | 794361.21 | 546228.67 | 482374.35 | 423742.75 | 891617.54 | 488707.63 | - | - | 1138276.80 | - | - | - | - | - | |
| OMEGA-HYDROXYDODECANOIC ACID | 12922.80 | 5105.55 | - | - | 20421.62 | 18213.84 | - | - | - | - | 3854.60 | 534.29 | - | - | |
| O-PHOSPHO-SERINE | 62274.16 | 60063.83 | - | - | 109515.25 | 53362.05 | 51229.26 | 18862.55 | 115545.08 | 2158.93 | 8442.72 | - | - | 153112.81 | |
| OPHTHALMIC ACID | 62582.00 | 200171.88 | 282658.20 | 205597.11 | 270684.00 | 38433.35 | 118562.17 | 101950.00 | 91125.75 | - | 37567.36 | - | 33310.33 | - | |
| ORNITHINE | 305253.74 | 182830.08 | 45661.92 | 52690.86 | 207573.08 | 64702.87 | 21103.67 | 49052.36 | 371540.70 | - | 41435.69 | 1656.05 | 2166.32 | 618701.00 | |
| O-SUCCINYL-HOMOSERINE | - | - | - | - | - | - | - | - | - | 2421.25 | - | 11382.91 | - | - | |
| PALMITIC ACID | 29362.47 | 16815.43 | 5994.75 | 31616.85 | - | 49687.16 | - | 14886.79 | - | - | - | - | - | - | |
| PANTOTHENIC ACID | 180876.97 | 116342.71 | 226270.11 | 121651.46 | 136123.71 | 145805.32 | 88086.74 | 112854.57 | 387787.49 | - | - | 15576.41 | 30650.43 | 411311.64 | |
| PENTANEDECANOIC ACID | - | - | 15197.21 | - | - | 4435.27 | - | - | - | - | - | - | - | - | |
| PHENOLSULFONIC ACID | - | - | - | - | - | - | - | - | - | - | - | - | 1918.69 | 48437.83 | |
| PHENYLACETIC ACID | - | 4377.24 | - | 1593.83 | - | 2383.07 | - | - | 2180.05 | - | - | - | - | - | |
| PHENYLACETYL-GLUTAMINE | - | - | 1161.90 | - | - | - | - | - | - | - | - | - | - | - | |
| PHENYLACETYLGLYCINE | - | - | - | - | - | 3387.79 | - | - | - | - | - | 5137.24 | - | - | |
| PHENYLALANINE_PEAK1 | 21402708.23 | 7003659.85 | 5176758.52 | 7420624.93 | - | 6134196.59 | - | - | 21839900.76 | - | 3189031.60 | - | - | - | |
| PHENYLALANINE_PEAK2 | 77889682.64 | 55194883.50 | 52763483.58 | 39130482.92 | 74452110.10 | 60010907.79 | 32359455.00 | 41133634.57 | 88950401.76 | - | 9196065.96 | 993420.98 | 2322848.44 | 78047104.51 | |
| PHOSPHOCHOLINE | 23353.24 | 28431.87 | 17043.70 | 16513.17 | 21829.79 | 28166.25 | 10148.02 | 19073.86 | 48346.38 | - | 9507.49 | - | 6185.48 | 103618.17 | |
| PHYLLOQUINONE | - | - | 21107.33 | - | - | - | - | - | - | - | - | - | - | - | |
| PILOCARPINE_PEAK1 | - | - | - | - | - | - | - | - | - | - | - | - | 104428.27 | - | |
| PILOCARPINE_PEAK2 | - | - | - | - | - | - | - | - | - | - | - | - | 2227.90 | - | |
| PIPECOLIC ACID | - | - | - | - | - | - | - | - | - | - | 152829.47 | - | 110319.15 | 834577.64 | |
| PROLINE | 7820237.51 | 7215741.50 | 12050908.35 | 4358037.62 | 7016897.42 | 6450990.80 | 4069316.65 | 4306490.86 | 7592117.79 | 166811.97 | 1961756.09 | 358799.56 | 1233667.46 | 11308212.92 | |
| PROPIONYLCARNITINE | 13595.95 | 8032.66 | 7451.91 | - | 8190.12 | 7716.59 | - | 5544.79 | 19658.50 | - | - | - | - | - | |
| PROPIONYLGLYCINE | - | - | - | - | - | - | - | - | - | 720.54 | - | - | - | - | |
| PTERIN | 7737.08 | - | 5908.04 | - | - | - | - | - | 10479.06 | - | 1403.58 | - | 1084.56 | 11806.51 | |
| PUTRESCINE | 3100.18 | 3423.39 | 1451.80 | 2010.41 | 5013.96 | 3287.32 | 3137.09 | - | 1045.12 | - | - | 10661.48 | - | 41999.49 | |
| PYRIDOXAL | - | - | - | - | - | - | - | - | - | 1801.50 | - | - | - | - | |
| PYRIDOXAMINE | 157835.06 | 9187.98 | 26607.92 | 18373.67 | 56790.38 | 96104.96 | 16382.78 | 112461.93 | 409774.65 | - | 5657.31 | - | - | 24657.45 | |
| PYRIDOXINE | - | - | - | - | - | - | - | - | - | 21909.53 | 15008.24 | 34521.85 | 11221.89 | 30460.66 | |
| PYROGALLOL | - | 22959.60 | 23699.92 | - | 1841.80 | 19717.81 | - | - | 49721.27 | 3604.80 | - | 49915.80 | - | - | |
| PYROGLUTAMIC ACID | 8678808.40 | 5187826.54 | 4778629.36 | 4189089.64 | 4029057.71 | 3746229.69 | 2856200.76 | 1636797.71 | 9679627.88 | 1565.45 | 911225.11 | 191387.54 | 1280155.38 | 9165250.70 | |
| QUINIC ACID | - | - | - | - | - | - | - | - | - | 4646.40 | - | 14748.32 | - | - | |
| RAC-GLYCEROL 1-MYRISTATE | - | 5663.55 | - | - | - | 6372.40 | - | - | 139386.48 | - | - | 1175.15 | - | - | |
| RANITIDINE | - | - | - | - | - | - | - | - | - | - | - | - | - | 48001.50 | |
| RIBOFLAVIN | 39096.98 | 19416.31 | 37010.27 | 26838.49 | 40738.08 | 6981.92 | 4811.30 | 13865.07 | 40503.88 | 1369.40 | 3690.93 | 14480.15 | 5898.26 | 60030.68 | |
| S-(5^-ADENOSYL)-L-HOMOCYSTEINE | 19925.69 | 10698.82 | 137687.00 | 9063.45 | 28599.21 | 16396.03 | 37139.42 | 12836.46 | 67526.83 | - | 13411.46 | 40587.24 | 8526.74 | 59404.19 | |
| SALICYLHYDROXAMIC ACID | - | - | - | - | - | - | - | - | - | - | - | 4164.39 | - | - | |
| SALICYLIC ACID | - | - | - | - | 1291.29 | - | - | - | 5364.49 | - | - | - | - | - | |
| SELENOMETHIONINE | - | - | - | - | - | - | - | - | - | 970.47 | - | - | - | - | |
| SERINE | 95120.92 | 15429.03 | 67130.71 | 46069.86 | 160653.38 | 78812.43 | 40311.80 | 65572.29 | 56684.91 | - | 1347.58 | 6724.40 | 1352.56 | 237011.94 | |
| SN-GLYCERO-3-PHOSPHOCHOLINE | 987226.48 | 974283.81 | - | 649764.81 | 1312623.75 | 648501.97 | 413103.13 | 629319.36 | 1586822.46 | - | 447340.56 | - | 249778.99 | 2411482.72 | |
| SPERMIDINE | 643021.20 | 291998.65 | 665304.18 | 366297.65 | 1141167.25 | 358474.71 | 250649.81 | 413468.43 | 433643.06 | 17740.57 | 90757.09 | 28837.41 | - | 1094044.04 | |
| SPERMINE | 114451.13 | 69122.82 | 245018.16 | 173932.57 | 359124.38 | 218524.31 | 136587.50 | 217440.43 | - | - | 38796.62 | - | - | 353982.15 | |
| SPHINGANINE | 897.24 | 127634.85 | 63403.37 | 68676.42 | - | 13695.08 | 6773.46 | - | 6402.33 | - | - | 21167.82 | - | - | |
| STEARIC ACID | 14781.25 | 21054.00 | 28439.88 | 16025.62 | - | 31661.64 | - | 8103.57 | 159340.54 | - | - | - | - | - | |
| SUBERIC ACID | - | - | - | - | - | - | - | - | 10051.64 | 3265.87 | - | 13755.00 | - | 8392.43 | |
| SUBERYL GLYCINE | - | - | - | - | - | 3190.31 | - | - | 13015.07 | - | - | - | 1582.48 | - | |
| SUCCINIC ACID | - | 19454.21 | - | - | 13173.21 | 12353.76 | - | - | 51561.02 | - | 9836.82 | - | - | 106964.81 | |
| SULPIRIDE | 21692.14 | 19694.07 | 7108.92 | 15748.12 | - | - | - | - | - | - | - | - | - | - | |
| TAMOXIFEN | - | - | - | - | - | - | - | - | - | 12401.73 | - | - | - | - | |
| TAURINE | 7264.68 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| THYMIDINE | - | - | - | - | - | 5913.56 | - | - | 12534.23 | - | - | - | - | - | |
| THYMIDINE 5^-MONOPHOSPHATE | - | - | - | - | 551.00 | 6396.86 | - | - | 8380.50 | - | - | - | - | - | |
| THYMINE | - | - | 40591.80 | - | 24332.42 | 8597.72 | 14537.38 | 10064.43 | - | - | - | 50308.32 | - | - | |
| THYROTROPIN RELEASING HORMONE | 3164.93 | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| TIGLYL GLYCINE | 3112.68 | - | - | - | - | - | - | - | - | - | - | 2945.45 | - | - | |
| TRANEXAMIC ACID_PEAK1 | - | 13363.50 | - | - | 9139.33 | - | - | 22189.64 | - | - | - | - | 1797.20 | - | |
| TRIGONELLINE | 42053.13 | 39591.90 | 29072.55 | 24513.06 | 37533.88 | 36947.07 | 16458.98 | 20147.14 | 182609.70 | 1190.37 | 11013.76 | - | 8319.16 | 62505.00 | |
| TRIMETHYLAMINE N-OXIDE | - | - | - | - | - | - | - | - | - | - | - | 5390.28 | - | - | |
| TRYPTAMINE | - | - | - | - | - | - | - | - | - | - | 8817.36 | - | 19015.63 | - | |
| TRYPTOPHAN | - | - | - | - | - | - | - | - | - | 18895.68 | 1732489.56 | 170732.98 | 1286105.49 | 18093936.42 | |
| TRYPTOPHAN ETHYL ESTER | 55236.83 | 513275.33 | 8139.29 | 97354.89 | 845293.75 | 270426.63 | 58622.74 | 91219.29 | - | - | - | 28639.66 | 18025.58 | 1186424.89 | |
| TYRAMINE | 2105144.25 | 1438583.58 | 884259.69 | 602393.53 | 1451799.71 | 588848.45 | 666979.33 | 354070.36 | - | - | 355499.62 | 98099.12 | 275285.60 | 6034219.81 | |
| TYROSINE | 9595183.81 | 5398923.62 | 9276923.53 | 5285658.56 | 8508156.79 | 9353047.52 | 4241076.07 | 8017340.21 | 21495546.38 | 25452.73 | 1206661.60 | 208474.02 | 1009756.79 | 10977972.09 | |
| URACIL | 87686.85 | 92659.11 | 869102.67 | 192082.83 | 199041.46 | 72290.83 | 138848.78 | 156021.38 | 223569.65 | 23083.88 | 102264.20 | 550533.22 | 97836.18 | 233031.51 | |
| URIDINE | 52951.47 | 14054.85 | 9601.96 | 10119.42 | 30916.67 | 59901.96 | 4255.46 | 18848.36 | 176436.85 | - | 1373.98 | - | 3783.45 | 62233.85 | |
| UROCANIC ACID | 16876.13 | 7961.46 | 55300.40 | 4298.33 | 14742.29 | - | 8237.04 | - | 11466.38 | - | 4712.95 | - | 2645.67 | - | |
| VALINE_PEAK2 | 42884398.04 | 18793383.89 | 23056543.20 | 13228590.22 | 24912953.04 | 19958928.76 | 13616126.46 | 18765897.14 | 38134229.89 | 165201.40 | 3766382.58 | 1875813.73 | 2964962.72 | 48648657.25 | |
| VALPROIC ACID | - | - | 5420.12 | 3322.35 | - | 6047.23 | - | - | 18958.54 | - | - | - | 414.10 | - | |
| VANILLIC ACID | - | - | - | - | - | - | - | - | - | - | - | 21352.80 | - | - | |
| VITAMIN K4 | - | - | - | - | - | - | - | - | - | - | - | 14025.20 | - | - | |
| XANTHOSINE | 6730.00 | 5336.67 | 6049.05 | - | - | 6862.26 | - | 5011.50 | 11950.81 | - | 810.68 | - | - | - | |
| XANTHOSINE 5^-MONOPHOSPHATE | 4687.44 | - | - | - | - | - | - | - | - | - | - | - | - | - |
Factors:
| F1 | experiment:20180512.0 | sample_type:supernatant |
| F2 | experiment:20180618.0 | sample_type:supernatant |
| F3 | experiment:20180629.0 | sample_type:supernatant |
| F4 | experiment:20180716.0 | sample_type:supernatant |
| F5 | experiment:20180720.0 | sample_type:supernatant |
| F6 | experiment:20180728.0 | sample_type:supernatant |
| F7 | experiment:20181030.0 | sample_type:supernatant |
| F8 | experiment:20181108.0 | sample_type:supernatant |
| F9 | experiment:20190228.0 | sample_type:supernatant |
| F10 | experiment:20191105.0 | sample_type:supernatant |
| F11 | experiment:20191107.0 | sample_type:supernatant |
| F12 | experiment:20191107.1 | sample_type:supernatant |
| F13 | experiment:20191107.2 | sample_type:supernatant |
| F14 | experiment:20200208.0 | sample_type:supernatant |
