Table 2.
Summary of the detected metabolites in the feces of KT and CT group.
| Chemical Classes | Compounds | m/z | Chemical Structure |
|---|---|---|---|
| Alkanes | Tritetracontane | 57.99 / 71.64 /43.47 | MF: C43H88 MW: 605.2 g/mol |
| 1,6,10,14,18,22-Tetracosahexaen-3-ol, 2,6,10,15,19,23-hexamethyl | 96/81/41 | MF: C30H50O MW: 426.7 g/mol |
|
| 6,6-Diethylhoctadecane | 57/71/85 | MF: C22H46 MW: 310.6 g/mol |
|
| nonadecane | 57.99 / 43.82 / 71.66 | MF: C19H40 MW: 268.5 g/mol |
|
| Heptadecane | 57.99 / 43.65 / 71.64 | MF: C17H36 MW:240.5 g/mol |
|
| 4-Ethyloctane | 57/43/41 | MF: C10H22 MW: 142.28 g/mol |
|
| 1,2-Epoxyoctadecane | 82/55/71 | MF: C18H36O MW: 268.5 g/mol |
|
| Amines | 1-Piperidine carboxaldehyde | 113.08/ 56.05/ 84.04 | MF: C6H11NO MW: 113.16 g/mol |
| Piperidine,1-acetyl | 84/43/127 | MF: C7H13NO MW: 127.18 g/mol |
|
| 1-(Piperidine-1-yl)dodecan-1-ol | 127.22/140.85/84.14 | MF: C17H33NO MW: 267.4 g/mol |
|
| Alkaloids | 2- Piperidinimine | 98.06/ 70.55/43.78 | MF: C5H10N2 MW: 98.15 g/mol |
| Amino Acid | Tyrosine | 218.18/ 71.85/ 43.41 | MF: C9H11NO3 MW: 181.19 g/mol |
| Benzenoids | Phthalic acid,di(oct-3-yl) ester | 149/ 167/ 150 | MF: C24H38O4 MW: 390.6 g/mol |
| 2,4-Dimethylbenzaldehyde | 134.07/ 133.06/ 105.06 | MF: C9H10O MW: 134.17 g/mol |
|
| Dioctyl Phthalate | 149.99/ 391.66/ 261.40 | MF: C24H38O4 MW: 390.6 g/mol |
|
| Phthalic acid,di(hept-3-yl) | 149.02/ 167.03/ 150 | MF: C22H34O4 MW: 362.5 g/mol |
|
| Phthalic acid | 149.1/ 139.2/ 121.3 | MF: C8H6O4 MW: 166.13 g/mol |
|
| Mesitylene | 105.99/ 120.86/77.98 | MF: C9H12 MW: 120.19 g/mol |
|
| Carboxylic Acids | Acrylic acid | 72.2/27.23/55.17 | MF:C3H4O2 MW: 72.06 g/mol |
| Triethyl Citrate | 157/ 203/115 | MF: C12H20O7 MW: 276.28 g/mol |
|
| Carotenoids | Squalene | 69.06/81.06/41.03 | MF: C30H50 MW: 410.7 g/mol |
| psi.,.psi.-Carotene, 1,1′,2,2′-tetrahydro-1,1′-bis[(trimethylsilyl)oxy] | 73.99/ 69.53/ 91.51 | MF: C42H64O2 MW: 600.49 g/mol |
|
| Cumenes | m-Cymene | 93.02/ 135.11/ 121.08 | MF: C10H14 MW: 134.22 g/mol |
| Dialkyldisulfides | Dicyclohexyl sulfite | 83/55/41 | MF: C12H22O3S MW: 246.37 g/mol |
| Dicarboxylic Acids | Di2-ethylhexyladipate | 129/371/259 | MF: C22H42O4 MW: 370.6 g/mol |
| Long-Chain Fatty Acids | Methyl 12-methyltridecanoate | 74/55/75 | MF: C15H30O2 MW: 242.4 g/mol |
| Stearic acid | 117/129/132 | MF: C18H36O2 MW: 284.5 g/mol |
|
| Palmitic acid | 237.3/255.3/227.1 | MF: C16H32O2 MW: 256.42 g/mol |
|
| Linoleic acid | 263.1/256.1/95 | MF: C18H32O2 MW: 280.4 g/mol |
|
| Short Chain Fatty Acids | Acetic acid | 43/55/60 | MF: C2H4O2 MW: 60.05 g/mol |
| Butyric acid | 43.05/87.04/29.04 | MF: C4H8O2 MW: 88.11 g/mol |
|
| Fatty Acids | Adipic acid | 129.1/115.1/119.2 | MF: C6H10O4 MW: 146.14 g/mol |
| Dichloroacetic acid, 4-hexadecyl ester | 55.99/69.79/83.76 | MF: C18H34Cl2O2 MW: 352.19 g/mol |
|
| Valeric acid | 60.02/29.04/27.03 | MF: C5H10O2 MW: 102.13 g/mol |
|
| Z-8-Methyl-9-tetradecenoic acid | 55/41/43 | MF: C15H28O2 MW: 240.38 g/mol |
|
| Ethyl-14-methyl-hexadecanoate | 88/55/57 | MF: C19H38O2 MW: 298.5 g/mol |
|
| Fatty Acids Esters | Ethyl oleate | 43.99/55.68/69.67 | MF: C20H38O2 MW: 310.29 g/mol |
| Ethyl 9,12-hexadecadienoate | 67/81/55 | MF: C18H32O2 MW: 280.4 g/mol |
|
| Ethyl-13-methyl-tetradecanoate | 88/101/55 | MF: C17H34O2 MW: 270.5 g/mol |
|
| Ethyl hexadecanoate | 257.5/219.3/237.3 | MF: C18H36O2 MW: 284.5 g/mol |
|
| n-propyl-11-octadecenoate | 55/69/83 | MF: C21H40O2 MW: 324.5 g/mol |
|
| Stearyl Palmitate | 257/57/43 | MF: C34H68O2 MW: 508.9 g/mol |
|
| Fatty Alcohol | 1-Hexadecanol | 55.99/69.82/83.76 | MF: C16H34O MW: 242.26 g/mol |
| n-Nonadecanol-1 | 83/55/97 | MF: C19H40O MW: 284.5 g/mol |
|
| Fatty Aldehydes | (Z)-14-Methyl-6-pentadecenoic acid | 73.05/89.04/43.7 | MF: C16H30O2 MW: 254.41 g/mol |
| Hydrocarbons | 5-eicosene | 55.99/57.77/43.69 | MF: C20H40 MW: 280.31 g/mol |
| Indoles | Indole | 117.05/89.02/101.03 | MF: C8H7N MW: 117.15 g/mol |
| Skatole | 131.07/103.04/77.03 | MF: C9H9N MW: 131.17 g/mol |
|
| Ketones | Diacetone alcohol | 43.02/59.05/57.03 | MF: C6H12O2 MW: 116.16 g/mol |
| Non-metal sulfates | Sulfurous acid,hexyl octyl ester | 57/85/43 | MF: C14H30O3S MW: 278.45 g/mol |
| Sulfurous acid | 81.97/53.9/64.96 | MF: H2SO3 MW: 82.08 g/mol |
|
| Not Attributed | 3,9.beta:14,15-Diepoxypregn-16-en-20-one,3,11.beta.,18-triacetoxy- | 429.98/43.67/430.73 | MF: C27H34O9 MW: 502.6 g/mol |
| Alanine, N-methyl-n-propoxycarbonyl-, isohexyl ester | 144/102/43 | MF: C14H27NO4 MW: 273.37 g/mol |
|
| 5,9,14,18-Anthrazinetetrone, 6,15-dihydro-8-hydroxy- | 458.09/49.55 | MF: C28H14N2O5 MW: 458.4 g/mol |
|
| Phenols | m-Cresol | 81.03/91.05/67.01 | MF: C7H8O MW: 108.14 g/mol |
| Phenol,2,4,6-tris(1-methylethyl) | 205.78/220.12/206.34 | MF: C15H24O MW: 220.35 g/mol |
|
| Phenylpropanes | 2,4-Di-tert-butylphenol | 191.99/57.32/41.16 | MF: C14H22O MW: 206.17 g/mol |
| Prenol lipids | 2,6,10,15-tetramethylheptadecane | 57.06/71.09/43.99 | MF: C21H44 MW: 296.6 g/mol |
| Quinones | 1,4-Naphthoquinone,6-acetyl | 217.99/232.91/189.44/43.27 | MF: C12H8O5 MW: 232.04 g/mol |
| Sterols | Coprosterol | 388.32/44.05/233.15 | MF: C27H48O MW: 388.7 g/mol |
| beta-Sitosterol | 43.99/ 55.35/41.33 | MF: C29H50O MW: 414.39 g/mol |
|
| Cholesterol | 43.99/55.89/57. 74 | MF: C27H46O MW: 386.35 g/mol |
|
| Ergost-22-en-3-ol (3alpha,5beta,22E) | 55.04/69.06/81.04 | MF: C28H48O MW: 400.5 g/mol |
|
| Stigmastanol | 43.99/107.71/215.7 | MF: C29H52O MW: 416.4 g/mol |
|
| Cholestenone | 124/43/55 | MF: C27H44O MW: 384.6 g/mol |
|
| Gamma-Sitosterol | 43/55/41 | MF: C29H50O MW: 414.7 g/mol |
|
| 4,6-cholestadienol | 43.99/143.7/135.63 | MF: C27H44O MW: 384.34 g/mol |
|
| Stigmasterol | 255/83/159 | MF: C29H48O MW: 412.7 g/mol |
|
| Cholesterylene | 368/81/147 | MF: C27H44 MW:368.6g/mol |
|
| Steroids | Epi-coprostanol | 215/55/43 | MF: C27H48O MW: 388.7 g/mol |
| Campestanol | 215/233/234 | MF: C28H50O MW: 402.7 g/mol |
|
| Cholest-4-ene | 370.99/108.92/43.39 | MF: C27H46 MW: 370.36 g/mol |
|
| Stanol | 9,19-Cycloergost-24(28)-en-3-ol,4,14-dimethyl-, (3β,4α,5α)- | 412.36/369.33/43.05 | MF: C30H50O MW:426.71 g/mol |
| Tocopherols | gamma-Tocopherol | 151.99/416.72/ 417.21 | MF:C28H48O2 MW: 416.37 g/mol |
| Delta-Tocopherol | 402/138/177 | MF: C27H46O2 MW: 402.7 g/mol |
MF: molecular formula; MW: molecular weight.