Data for ST002730
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 1,11-Undecanedicarboxylic acid | 2984.67 | 1930.25 | |
| 1,3,5-Trimethoxybenzene | 18615.50 | 150274.33 | |
| 1,3,7-Trimethyluric acid | 77833.83 | 23664.17 | |
| 1,3-Dimethyluracil | 2468.17 | 3561.83 | |
| 2,3-Diaminopropionic acid | 54603.33 | 193066.83 | |
| 2,4-Diaminobutyric acid | 84923.83 | 54779.17 | |
| 2,5-Furandicarboxylic acid | 1883.20 | 3676.33 | |
| 2-Aminobenzoic acid | 2975.67 | 5556.67 | |
| 2-Furoylglycine | 1575.67 | 4778.67 | |
| 2-Hydroxycaproic acid | 85604.83 | 49961.00 | |
| 2-Hydroxyphenethylamine | 7406.33 | 25676.17 | |
| 2-Phenylaminoadenosine | 1175.40 | 1404.67 | |
| 2-Phenylbutyric acid | 19785.17 | 19973.00 | |
| 2-Pyrrolidinone | 14065.67 | 22894.83 | |
| 3,4-Dihydroxyphenylglycol | 5905.00 | 11004.00 | |
| 3,5-Dimethoxyphenol | 1052.67 | 1790.17 | |
| 3a,6b,7b-Trihydroxy-5b-cholanoic acid | 9825.67 | 10792.67 | |
| 3-Aminoisobutanoic acid | 426362.83 | 431235.00 | |
| 3-Cresotinic acid | 1794.00 | 5315.00 | |
| 3-Hexenedioic acid | 9034.67 | 3545.33 | |
| 3-Methylindole | 8646.83 | 10180.00 | |
| 3-Nitrotyrosine | 340.83 | 1540.17 | |
| 4-Aminohippuric acid | 20122.17 | 40693.50 | |
| 4-Aminophenol | 5142.50 | 6338.83 | |
| 4-Ethylbenzoic acid | 14688.83 | 8232.00 | |
| 4-Hydroxycyclohexylcarboxylic acid | 594.67 | 1705.67 | |
| 4-Hydroxyproline | 2780.83 | 2852.00 | |
| 4-Pyridoxic acid | 1045.00 | 1632.20 | |
| 5-Hydroxyindoleacetic acid | 2655.83 | 3652.00 | |
| 5-Hydroxy-L-tryptophan | 12411.83 | 23166.33 | |
| 5-Hydroxymethyl-4-methyluracil | 9158.17 | 11035.17 | |
| 5-Hydroxytryptophol | 2449.33 | 6789.67 | |
| 5-Methoxytryptophan | 3399.33 | 3457.83 | |
| 5-Methoxytryptophol | 7575.17 | 9853.00 | |
| 5^-Methylthioadenosine | 25437.33 | 237902.67 | |
| 7-Methylguanosine | 1595.50 | 2001.33 | |
| Acetic acid | 2501.00 | 1980.00 | |
| Acrylamide | 6715.83 | 12751.83 | |
| Adenine | 10180.17 | 117775.00 | |
| Adenosine monophosphate | 180102.83 | 370339.50 | |
| Adenylsuccinic acid | 2990.17 | 55669.83 | |
| Adipic acid | 4257.00 | 4099.17 | |
| ADP | 19758.50 | 47008.00 | |
| All-trans-retinoic acid | 900.00 | 1484.17 | |
| Alpha-Aspartyl-lysine | 7216.33 | 8693.50 | |
| Aminoadipic acid | 2382.67 | 3948.83 | |
| Androstenedione | 34291.33 | 42854.83 | |
| Androsterone | 27838.83 | 17694.83 | |
| Anserine | 12622.00 | 12509.17 | |
| Aspartame | 1728.80 | 3441.50 | |
| Asymmetric dimethylarginine | 14687.67 | 41709.67 | |
| Azelaic acid | 6778.50 | 15948.00 | |
| Benzocaine | 7535.50 | 12381.67 | |
| Benzoic acid | 3047.67 | 6888.00 | |
| Biotin | 10858.83 | 15143.83 | |
| Carnosine | 2801.67 | 3677.17 | |
| Chlorpheniramine | 1525.50 | 2798.33 | |
| Cinnamic acid | 39904.33 | 48743.33 | |
| Citicoline | 2170.50 | 4825.17 | |
| Coproporphyrin I | 718.80 | 6301.00 | |
| Cytidine | 2177.00 | 11703.20 | |
| Cytidine monophosphate | 2404.67 | 13877.80 | |
| Cytosine | 30632.20 | 24347.80 | |
| D-Alanine | 2926.67 | 13270.33 | |
| Deoxycytidine | 14573.50 | 12567.50 | |
| Deoxyguanosine | 107422.00 | 259685.00 | |
| Deoxyinosine | 3949.17 | 3345.40 | |
| Dextromethorphan | 1520.33 | 1660.17 | |
| Diacetyl | 6508.00 | 6499.83 | |
| Digoxin | 7101.83 | 4540.50 | |
| Dihydrothymine | 7057.67 | 8207.00 | |
| Dimethylprotoporphyrin IX dimethyl ester | 2504.67 | 2859.50 | |
| Dimethyl sulfone | 606.83 | 1527.33 | |
| DL-2-aminooctanoic acid | 11256.17 | 24516.20 | |
| D-Lactic acid | 1627.50 | 1904.00 | |
| Doxylamine | 2364.33 | 2810.50 | |
| Ethanolamine | 23460.33 | 19478.00 | |
| Flavin mononucleotide | 3146.67 | 3344.67 | |
| Gluconolactone | 10223.83 | 22556.00 | |
| Glycerol | 54027.00 | 54221.00 | |
| Glycerophosphocholine | 100706.83 | 171294.17 | |
| Glycyl-L-leucine | 2566.00 | 13548.17 | |
| Glycylproline | 6677.17 | 15774.33 | |
| Guaifenesin | 3117.00 | 14224.40 | |
| Guanine | 16681.00 | 52049.80 | |
| Guanosine | 2596.00 | 19049.00 | |
| Guanosine 5^-diphosphate | 10306.00 | 9038.80 | |
| Guanosine monophosphate | 11975.67 | 9853.33 | |
| Homocitrulline | 2984.83 | 5169.50 | |
| Homogentisic acid | 1245.33 | 2495.33 | |
| Homo-L-arginine | 1517.67 | 4255.00 | |
| Hydroquinone | 2076.17 | 1537.67 | |
| Hydroxykynurenine | 9767.33 | 8235.67 | |
| Hypoxanthine | 2118.00 | 43146.83 | |
| Imidazole | 1054.17 | 1975.50 | |
| Indole | 8380.50 | 9300.17 | |
| Indole-3-carbinol | 774.17 | 3373.17 | |
| Indole-3-carboxylic acid | 3431.83 | 1058.60 | |
| Indoleacetic acid | 7166.33 | 5235.83 | |
| Indoleacrylic acid | 477303.00 | 566508.83 | |
| Indolelactic acid | 1318.67 | 6801.00 | |
| Inosine | 485.33 | 7808.00 | |
| Isobutyric acid | 27052.33 | 16682.00 | |
| Isopropyl alcohol | 2347.17 | 2859.33 | |
| Kynurenic acid | 3861.50 | 5619.67 | |
| L-Acetylcarnitine | 1704.00 | 2427.50 | |
| L-Arginine | 21735.00 | 48352.50 | |
| L-Aspartyl-L-phenylalanine | 11346.00 | 15592.67 | |
| L-Carnitine | 9898.67 | 22817.17 | |
| L-Glutamic acid | 27384.50 | 83904.17 | |
| L-Glutamine | 6568.17 | 7309.17 | |
| L-Histidine | 3356.17 | 4905.67 | |
| L-Kynurenine | 5172.17 | 4777.17 | |
| L-Lysine | 11534.17 | 11667.50 | |
| L-Methionine | 10280.50 | 17045.83 | |
| L-Norleucine | 7162.33 | 12644.83 | |
| Loratadine | 1646.50 | 2123.50 | |
| L-Phenylalanine | 426798.17 | 510511.00 | |
| L-Proline | 19471.50 | 30634.00 | |
| L-Threonine | 2158.67 | 4399.17 | |
| L-Tryptophan | 112892.17 | 141658.83 | |
| L-Valine | 392125.00 | 690471.17 | |
| Maltitol | 148490.33 | 149208.67 | |
| m-Coumaric acid | 205903.67 | 344695.00 | |
| Mevalonic acid | 6849.50 | 3786.33 | |
| N6-Acetyl-L-lysine | 30442.00 | 109473.00 | |
| N-Acetyl-D-glucosamine | 1151.83 | 6585.33 | |
| N-Acetylglutamic acid | 1880.67 | 9276.50 | |
| N-Acetyl-L-alanine | 9028.00 | 9371.67 | |
| N-Acetyl-L-tyrosine | 726.50 | 3017.33 | |
| N-Acetylneuraminic acid | 3292.50 | 3683.17 | |
| N-Acetylputrescine | 8750.50 | 17494.50 | |
| Naproxen | 3491.83 | 5482.50 | |
| Niacinamide | 7126.17 | 40211.67 | |
| Nicotinamide ribotide | 8844.67 | 51873.25 | |
| N,N-Dimethylaniline | 4116.33 | 32707.17 | |
| Normetanephrine | 2024.17 | 6273.83 | |
| o-Tyrosine | 5855.33 | 11239.33 | |
| Oxypurinol | 36359.83 | 114578.83 | |
| p-Aminobenzoic acid | 3923.83 | 6192.00 | |
| Pantothenic acid | 24739.67 | 83445.83 | |
| Paracetamol sulfate | 1140.60 | 1133.17 | |
| p-Cresol | 30333.17 | 36530.83 | |
| Phenylacetaldehyde | 29545.33 | 118750.00 | |
| Phenylacetic acid | 3334.17 | 4722.83 | |
| Phenylacetylglycine | 1632.67 | 2427.40 | |
| Phenylpropiolic acid | 47722.80 | 45265.00 | |
| Phosphocreatine | 50488.33 | 32419.80 | |
| Phosphonoacetate | 2358.00 | 4923.00 | |
| Phosphoric acid | 3157.00 | 3600.00 | |
| Pipecolic acid | 41315.50 | 102035.83 | |
| Pregnenolone sulfate | 10898.50 | 6847.00 | |
| Propanal | 1248.00 | 2188.00 | |
| Propionic acid | 4425.33 | 7237.83 | |
| Propranolol | 4363.00 | 4949.67 | |
| Pyridine | 214381.50 | 214177.67 | |
| Pyrimidine | 3829.83 | 4170.50 | |
| Pyroglutamic acid | 72360.17 | 114191.83 | |
| Pyrrole-2-carboxylic acid | 1074.00 | 1280.67 | |
| Pyruvaldehyde | 1885.50 | 2547.83 | |
| Quinaldic acid | 3195.00 | 4682.17 | |
| Ranitidine | 2761.20 | 3929.50 | |
| Riboflavin | 6550.00 | 21583.83 | |
| Ribothymidine | 2932.17 | 10777.17 | |
| (R)-Lipoic acid | 1562.83 | 4052.67 | |
| Saccharopine | 4470.00 | 13065.67 | |
| S-Adenosylhomocysteine | 1501.50 | 30450.00 | |
| Salicin | 6979.33 | 4061.50 | |
| Scopolamine | 4111.33 | 17250.50 | |
| Sebacic acid | 821.00 | 3601.50 | |
| Serotonin | 4358.00 | 5618.00 | |
| Shikimic acid | 33819.50 | 71010.67 | |
| Sorbitol | 30271.00 | 44347.17 | |
| Spermine | 19504.67 | 17944.33 | |
| Sphinganine | 6942.33 | 4132.83 | |
| Stearic acid | 4858.17 | 5136.00 | |
| Succinylacetone | 51853.83 | 36631.00 | |
| Sulfolithocholic acid | 4592.50 | 3828.17 | |
| Thymidine | 8283.33 | 16060.50 | |
| Tiglylglycine | 1551.83 | 2504.33 | |
| Traumatic acid | 8036.17 | 9680.33 | |
| Trimethylamine | 6574.25 | 22027.33 | |
| Tryptophanol | 160714.33 | 356967.50 | |
| Umbelliferone | 566.67 | 5249.67 | |
| Uracil | 1602.00 | 11540.00 | |
| Urea | 12147.67 | 8868.50 | |
| Ureidosuccinic acid | 7434.67 | 9049.17 | |
| Uridine | 25889.33 | 32265.83 | |
| Uridine 5^-monophosphate | 5714.67 | 19807.50 | |
| Urocanic acid | 1099.00 | 930.17 | |
| Warfarin | 1362.00 | 3048.20 | |
| Xanthurenic acid | 907.33 | 3673.67 |
Factors:
| F1 | Treatment:Liquid Media |
| F2 | Treatment:Solid Media |