Data for ST000743
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 16:0-18:0 PC (M+H)+ | 1020946.25 | 4641330.00 | 4123635.00 | 645683.00 | 1380514.00 | 1043585.00 | - | 2089065.00 | |
| 16:0 LYSO PC (M+H)+ | 30300000.00 | 43600000.00 | 36100000.00 | 23200000.00 | 31600000.00 | 29700000.00 | 59400000.00 | 34900000.00 | |
| 16:0 LYSO PC (M+NA)+ | 2729619.00 | 1691505.25 | 1035649.00 | 2925530.00 | 1671843.00 | 2365007.00 | 1596924.00 | 1557934.00 | |
| 18:0 LYSO-PE (M+H)+ | 240991.00 | 338683.50 | 185469.00 | 210950.00 | 186536.00 | 231488.00 | 214047.00 | 123892.00 | |
| 1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+ | 45340.67 | 29310.75 | 13187.00 | 42503.00 | 8975.00 | 46115.00 | 37163.00 | 47551.00 | |
| 1-METHYLADENOSINE (M+H)+ | 20096.33 | 28012.00 | 34643.00 | 20901.00 | 28590.00 | 28545.00 | 30835.00 | 28830.00 | |
| 1-METHYLXANTHINE (M+H)+ | 3517988.50 | 4067318.25 | 4152564.00 | 3437054.00 | 4146653.00 | 4255361.00 | 4478549.00 | 4546640.00 | |
| 24:0 SM (D18:1/24:0) (M+NA)+ | - | - | - | 108128.00 | - | - | - | - | |
| 25-HYDROXYCHOLESTEROL (M+H)+[-H2O] | 16174.00 | 6738.00 | 124788.00 | 15350.00 | 13773.00 | 6498.00 | - | 10285.00 | |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+ | 32586.00 | 32833.33 | 41624.00 | 20910.00 | 20001.00 | 73858.00 | 29904.00 | 21788.00 | |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+ | 32199.50 | 32610.75 | 45950.00 | 32758.00 | 57670.00 | 59597.00 | 36393.00 | 46732.00 | |
| 3-HYDROXYBENZALDEHYDE (M+H)+[-H2O] | 124248.25 | 65992.75 | 29087.00 | 21585.00 | 214360.00 | 1152721.00 | 170037.00 | 65948.00 | |
| 3-HYDROXYLAUROYLCARNITINE (*) (M+H)+ | 37611.75 | 23991.25 | 15592.00 | 4911.00 | 18383.00 | - | 15402.00 | 11485.00 | |
| 3-METHOXYTYROSINE (M+H)+ | 31985.67 | 38883.67 | 59783.00 | 44579.00 | 15453.00 | 34469.00 | 37364.00 | 24606.00 | |
| 3-METHYLXANTHINE (M+H)+ | 31175000.00 | 35625000.00 | 36500000.00 | 31100000.00 | 36100000.00 | 36600000.00 | 38400000.00 | 40000000.00 | |
| 4-ACETAMINOPHEN SULFATE (M+H)+ | 72927.00 | - | - | - | - | - | - | - | |
| 4-HYDROXYPHENYLACETIC ACID (M+H)+ | 36898.67 | 26299.33 | 58202.00 | - | 11698.00 | 26467.00 | - | - | |
| 5^-METHYLTHIOADENOSINE (M+H)+ | 50429.75 | 66029.75 | 64456.00 | 41415.00 | 64426.00 | 58470.00 | 64187.00 | 79128.00 | |
| ACETAMINOPHEN (TN TYLENOL) (M+H)+ | 2342147.67 | - | - | - | - | 6970.00 | - | - | |
| ACETAMINOPHEN (TN TYLENOL) (M+NA)+ | 1249648.67 | 12274.00 | - | 9755.00 | - | - | 9127.00 | 10234.00 | |
| ACETYLCARNITINE (M+H)+ | 3173322.75 | 1664436.75 | 418741.00 | 266977.00 | 1482642.00 | 374543.00 | 562196.00 | 448994.00 | |
| ADENOSINE 5^-MONOPHOSPHATE (M+H)+ | 16804.75 | 17864.67 | 19674.00 | 36430.00 | 9139.00 | 13084.00 | 6072.00 | 16965.00 | |
| ADIPIC ACID (M+H)+ | 280879.33 | 65132.67 | 30525.00 | 48803.00 | 196448.00 | - | 33676.00 | 27997.00 | |
| ADIPIC ACID (M+NA)+ | 34331.25 | 40181.67 | 25374.00 | 33830.00 | 16385.00 | 31411.00 | 11191.00 | 13463.00 | |
| ALPHA-LINOLENIC ACID (M+NA)+ | 198617.75 | 130112.50 | 279516.00 | 202467.00 | 152840.00 | 56705.00 | 92928.00 | 112686.00 | |
| ALPHA-TOCOPHEROL (M+H)+ | 79077.75 | 87764.75 | 99666.00 | 78992.00 | 80747.00 | 51513.00 | 52713.00 | 74570.00 | |
| ASPARAGINE (M+H)+ | 7289.25 | 39894.33 | 27671.00 | 12307.00 | 16951.00 | 8780.00 | 26994.00 | 2549.00 | |
| BILIVERDIN (M+H)+ | 3872.00 | 5194.25 | 6223.00 | 1670.00 | 3501.00 | - | 4269.00 | 3789.00 | |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+ | 90237.75 | 871651.67 | 312197.00 | 124925.00 | 93637.00 | 53061.00 | - | 128641.00 | |
| BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+ | 1027023.75 | 39061707.25 | 2379208.00 | 1253286.00 | 1307624.00 | 757048.00 | - | 857804.00 | |
| BUTYRYLCARNITINE (*) (M+H)+ | 99741.00 | 109385.00 | 55227.00 | 122997.00 | 98083.00 | 88354.00 | 104825.00 | 187254.00 | |
| C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+ | 346760.00 | 130466.00 | - | 269860.00 | 570145.00 | 120794.00 | - | 653679.00 | |
| CAFFEINE (M+H)+ | 4504634.00 | 1979673.25 | 1105448.00 | 4051323.00 | 2746033.00 | 8484092.00 | 125027.00 | 634240.00 | |
| CAFFEINE (M+NA)+ | 92339.75 | 38867.50 | 30833.00 | 83319.00 | 62130.00 | 153218.00 | - | 14688.00 | |
| CALCIDIOL (M+H)+[-H2O] | 47864.00 | 48851.00 | - | 15405.00 | 9544.00 | 44049.00 | 20578.00 | 13120.00 | |
| CARNITINE (M+H)+ | 196179.00 | 174952.00 | 51294.00 | 3293832.00 | - | - | 1783973.00 | 316838.00 | |
| CARNOSINE (M+NA)+ | 4449.00 | 4716.33 | 2051.00 | 2930.00 | 5536.00 | 443.00 | 3124.00 | 2277.00 | |
| CHOLESTEROL (M+H)+[-H2O] | 59773.25 | 51610.50 | 153826.00 | 128522.00 | 36230.00 | 146935.00 | 28494.00 | 47805.00 | |
| CHOLINE PHOSPHATE (M+H)+ | 47242.33 | 100890.50 | 42957.00 | 39249.00 | 40892.00 | 42626.00 | 47996.00 | 43978.00 | |
| CITRIC ACID (M+NA)+ | 372466.75 | 263186.75 | 348487.00 | 281310.00 | 222872.00 | 504876.00 | 230304.00 | 238150.00 | |
| CORTISOL 21-ACETIC ACID (M+NA)+ | - | - | - | - | - | - | 211699.00 | - | |
| CREATINE (M+H)+ | 411846.00 | 390652.00 | - | 240561.00 | - | - | - | - | |
| CREATININE (M+H)+ | 113999.00 | - | - | 390621.00 | - | - | - | 51099.00 | |
| CYSTATHIONINE (M+H)+ | 14612.50 | 18204.75 | 12696.00 | 15075.00 | 19753.00 | 27815.00 | 14470.00 | 14194.00 | |
| CYSTEIC ACID (M+H)+ | 9711.67 | 13628.33 | 10271.00 | 12294.00 | 13840.00 | 15067.00 | - | - | |
| CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+ | 1989.33 | 2328.50 | 1562.00 | 1438.00 | 1770.00 | 1314.00 | 1702.00 | 1976.00 | |
| DECANOYLCARNITINE (*) (M+H)+ | 1856078.00 | 1383310.25 | 3228070.00 | 427544.00 | 1845137.00 | 1061595.00 | 2142644.00 | 835213.00 | |
| DECENOYLCARNITINE (*) (M+H)+ | 789873.75 | 535547.25 | 885629.00 | 196665.00 | 557149.00 | 673210.00 | 936819.00 | 376871.00 | |
| DEOXYURIDINE (M+NA)+ | - | 10070.50 | 2458.00 | 2730.00 | - | 3900.00 | 2392.00 | 4618.00 | |
| DEPHOSPHO-COA (M+H)+ | 11296.00 | 15664.33 | 12964.00 | 13953.00 | 11522.00 | 8920.00 | 15949.00 | 16062.00 | |
| DESLORATADINE (M+H)+ | 93219.00 | - | - | - | 2349.00 | - | - | - | |
| DESMOSTEROL (M+H)+[-H2O] | 9302.75 | 6153.50 | 1667.00 | 12117.00 | 10900.00 | 28460.00 | 3095.00 | 6028.00 | |
| DODECENOYLCARNITINE (*) II M+ | 241923.50 | 159343.25 | 141153.00 | 74502.00 | 64329.00 | 74078.00 | 90145.00 | 103175.00 | |
| DODECENOYLCARNITINE (*) M+ | 73149.75 | 60928.00 | 253945.00 | 19749.00 | 46422.00 | 72447.00 | 69418.00 | 92202.00 | |
| EICOSADIENOYLCARNITINE (*) (M+H)+ | 189586.25 | 81050.00 | - | 27933.00 | - | 352915.00 | - | - | |
| EICOSANOYLCARNITINE (*) (M+H)+ | 119640.50 | 26990.00 | - | 25530.00 | - | 266400.00 | - | - | |
| EICOSENOYLCARNITINE (*) (M+H)+ | 4773592.50 | 256551.00 | - | 46151.00 | - | - | - | - | |
| ELAIDIC ACID (M+H)+ | 172544.50 | 158643.00 | 235361.00 | 108163.00 | 154377.00 | 107797.00 | 140265.00 | 113609.00 | |
| EPIBRASSINOLIDE [ISTD] (M+H)+ | 3322062.50 | 3258173.50 | 3270674.00 | 3036784.00 | 3225379.00 | 3269548.00 | 3412951.00 | 3406004.00 | |
| EPIBRASSINOLIDE [ISTD] (M+NA)+ | 2376134.25 | 2264439.75 | 2450254.00 | 2353743.00 | 2330511.00 | 2252505.00 | 2384248.00 | 2469090.00 | |
| GALACTURONIC ACID (M+NA)+[-H2O] | 12232.67 | 12449.00 | - | 10048.00 | 37887.00 | - | 21698.00 | 10267.00 | |
| GLUCOSE (2M+NA)+ | 5631.00 | 21732.00 | 7486.00 | - | - | - | - | - | |
| GLUCOSE (M+NA)+ | 111761.75 | 192310.33 | 54510.00 | 86457.00 | - | 45729.00 | 48138.00 | 72090.00 | |
| GLYCEROL MYRISTATE (M+NA)+ | 16600.33 | 17305.00 | 23659.00 | 28822.00 | 26719.00 | - | 23761.00 | 15033.00 | |
| GLYCOCHENODEOXYCHOLIC ACID (M+H)+ | 23173.50 | 21268.50 | 51645.00 | 35614.00 | 2368.00 | 13220.00 | 19602.00 | 13617.00 | |
| GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O] | 247107.00 | 309615.00 | 529453.00 | 704490.00 | 86574.00 | 364737.00 | 199981.00 | 161246.00 | |
| GLYCOCHENODEOXYCHOLIC ACID (M+NA)+ | 160242.75 | 163467.25 | 306654.00 | 491764.00 | 47147.00 | 207177.00 | 105807.00 | 92538.00 | |
| GLYCOCHOLIC ACID (M+H)+[-H2O] | 57875.25 | 32003.67 | - | 58870.00 | 44939.00 | 62163.00 | 19608.00 | - | |
| GUANINE (M+H)+ | 45005.25 | 18476.00 | 24088.00 | 21157.00 | 16575.00 | 19245.00 | 15659.00 | 28704.00 | |
| HEXANOYLCARNITINE (*) M+ | 307872.00 | 269664.50 | 371656.00 | 161269.00 | 303546.00 | 183679.00 | 280674.00 | 181949.00 | |
| HIPPURIC ACID (M+H)+ | 446020.75 | 235977.25 | 107828.00 | - | 777449.00 | 4393474.00 | 638433.00 | 248536.00 | |
| HIPPURIC ACID (M+NA)+ | 817116.00 | 633115.50 | 191598.00 | - | 1445957.00 | 7172998.00 | 1221961.00 | 472091.00 | |
| HOMOGENTISIC ACID (M+H)+ | 300097.00 | 619456.33 | 451187.00 | 433594.00 | 528474.00 | 162815.00 | 137499.00 | 208649.00 | |
| HOMOVANILLIC ACID (M+H)+ | 2117.33 | - | 95659.00 | 6853.00 | - | 8991.00 | - | - | |
| HYPOXANTHINE (M+H)+ | 180850.25 | 425639.50 | 298014.00 | 299266.00 | 133103.00 | 189530.00 | 395693.00 | 106785.00 | |
| IBUPROFEN (M+NA)+ | 105084.00 | 21537.50 | 37586.00 | 2229.00 | 632562.00 | 372955.00 | 62003.00 | - | |
| INDOLE-3-ACETALDEHYDE (M+H)+ | 47527.33 | 110314.25 | 9644.00 | 194576.00 | 106457.00 | 10621.00 | 94212.00 | 340544.00 | |
| INDOLE-3-ACETIC ACID (M+H)+ | 427590.00 | 339831.00 | - | 340017.00 | 801897.00 | - | 379552.00 | 302078.00 | |
| INDOLE-3-ACETIC ACID (M+NA)+ | 226646.00 | 289316.50 | 151115.00 | 294080.00 | 659569.00 | 206841.00 | 332887.00 | 261139.00 | |
| INOSINE (M+H)+ | - | 60603.00 | - | 334.00 | - | - | - | - | |
| INOSINE (M+NA)+ | - | 276507.50 | 3660.00 | - | - | - | - | 1177.00 | |
| ISO-BUTYRYLCARNITINE (*) (M+H)+ | 200205.00 | 470143.25 | 176986.00 | 185397.00 | 296320.00 | 159171.00 | 268145.00 | 324438.00 | |
| ISOLEUCINE (M+H)+ | 42300000.00 | 41600000.00 | 38400000.00 | 35000000.00 | 36800000.00 | 45000000.00 | 71400000.00 | 69800000.00 | |
| ISOVALERYLCARNITINE (*) (M+H)+ | 966070.75 | 586838.25 | 360479.00 | 301030.00 | 710980.00 | 401561.00 | 1190670.00 | 1025867.00 | |
| KYNURENIC ACID (M+H)+ | 53703.50 | 65176.25 | 91362.00 | 32964.00 | 97725.00 | 80041.00 | 143089.00 | 69548.00 | |
| KYNURENINE (M+H)+ | 1033915.75 | 1133096.25 | 1170668.00 | 1003856.00 | 1477336.00 | 972379.00 | 1204783.00 | 1465364.00 | |
| KYNURENINE (M+NA)+ | 26652.50 | 30140.75 | 30205.00 | 32096.00 | 43594.00 | 29326.00 | 31474.00 | 41322.00 | |
| LAUROYLCARNITINE (M+H)+ | 650719.25 | 573550.25 | 941995.00 | 225150.00 | 477419.00 | 345861.00 | 589656.00 | 553566.00 | |
| LEUKOTRIENE B4 (M+H)+ | 6973.50 | 4485.33 | 6280.00 | 2949.00 | 6232.00 | 2787.00 | 4676.00 | 2775.00 | |
| L-HISTIDINE (M+H)+ | 1742.50 | 1782.50 | 664.00 | 1521.00 | - | - | 2483.00 | 2239.00 | |
| LINOLEOYLCARNITINE (*) (M+H)+ | 1594680.00 | 26340715.50 | 3582216.00 | 13957.00 | 3343683.00 | 3734759.00 | - | 1000229.00 | |
| L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ | 5286990.75 | 5026118.50 | 5176479.00 | 5124829.00 | 4999201.00 | 5481639.00 | 4757680.00 | 5059421.00 | |
| LYSINE (M+H)+ | 44229.00 | 62203.50 | 45494.00 | 40762.00 | 32803.00 | 48850.00 | 53433.00 | 51151.00 | |
| LYSINE (M+NA)+ | 11639.25 | 19550.75 | 14621.00 | 11865.00 | 10068.00 | 16017.00 | 19442.00 | 17874.00 | |
| METHIONINE (M+H)+ | 3042857.50 | 3375975.75 | 3982243.00 | 3198234.00 | 3052400.00 | 3278629.00 | 3483282.00 | 4559178.00 | |
| METHYL JASMONATE (M+NA)+ | 363893.00 | 148991.75 | 40180.00 | 205627.00 | 178902.00 | 284759.00 | 36647.00 | 41288.00 | |
| MYRISTOYLCARNITINE (*) (M+H)+ | 536805.00 | 1089417.25 | 754781.00 | 171080.00 | 563718.00 | 296198.00 | 1337415.00 | 417178.00 | |
| N-ACETYL-DL-SERINE (M+H)+[-H2O] | 152324.00 | 203548.25 | 151200.00 | 147104.00 | 172848.00 | 171089.00 | 186043.00 | 179460.00 | |
| N-ACETYLGLYCINE (M+NA)+ | 10846.50 | 15691.00 | 31359.00 | - | 4907.00 | - | - | 2716.00 | |
| N-ACETYL-L-PHENYLALANINE (M+NA)+ | 5576.67 | 5246.00 | - | 4072.00 | 10428.00 | - | 6049.00 | 6424.00 | |
| N-ACETYLNEURAMINIC ACID (M+H)+ | 7433.00 | 6617.75 | 11953.00 | 6424.00 | 2679.00 | 9661.00 | 7947.00 | 11825.00 | |
| N-CYCLOHEXYLFORMAMIDE (M+H)+ | 40666.00 | 31000.00 | 20633.00 | 46232.00 | 39819.00 | 46011.00 | 25323.00 | 31667.00 | |
| NICOTINAMIDE (M+H)+ | 97132.25 | 115829.00 | 183117.00 | 197365.00 | 109160.00 | 124613.00 | 89482.00 | 159565.00 | |
| OCTANOYLCARNITINE (*) (M+H)+ | 1010431.00 | 752556.75 | 1698680.00 | 255357.00 | 1023960.00 | 559176.00 | 1095278.00 | 439983.00 | |
| OCTENOYLCARNITINE (*) M+ | 1155628.75 | 1163309.75 | 1126170.00 | 450316.00 | 647604.00 | 1901816.00 | 2309041.00 | 657411.00 | |
| OLEIC ACID (M+H)+ | 46023.25 | 46285.75 | 48014.00 | 46192.00 | 27096.00 | 35736.00 | 40566.00 | 44009.00 | |
| OLEIC ACID (M+NA)+ | 47773.00 | 51892.67 | 71358.00 | 101232.00 | 54089.00 | 42898.00 | 40953.00 | 64973.00 | |
| OLEOYLCARNITINE (*) (M+H)+ | 5983973.75 | 4571346.00 | - | 1114499.00 | - | 9111331.00 | - | 13300000.00 | |
| OLEOYL-GLYCEROL (M+NA)+ | 286000.25 | 605965.00 | 465042.00 | 270383.00 | 239920.00 | 250323.00 | 422137.00 | 226437.00 | |
| OMEPRAZOLE (M+H)+ | - | 1412982.00 | - | - | 27836.00 | - | - | - | |
| ORNITHINE (M+H)+ | 13184.00 | 16612.75 | 11559.00 | 10558.00 | 9592.00 | 10708.00 | 18262.00 | 17635.00 | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+ | 440730.00 | - | - | - | - | - | - | - | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+ | 262942.50 | - | - | - | - | - | - | - | |
| P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+ | 479614.00 | - | - | - | - | - | - | - | |
| PALMITOLEYLCARNITINE (*) M+ | 666090.25 | 638320.25 | 554294.00 | 312140.00 | 745919.00 | 409759.00 | 568632.00 | 364417.00 | |
| PALMITOYLCARNITINE (M+H)+ | 3816629.25 | 2195824.00 | - | 1016043.00 | - | 7925009.00 | - | - | |
| PANTOTHENIC ACID (M+H)+ | 263793.00 | 251834.25 | 94201.00 | 91566.00 | 65136.00 | 56707.00 | 182267.00 | 214763.00 | |
| PANTOTHENIC ACID (M+NA)+ | 150380.25 | 160501.00 | 43354.00 | 88968.00 | 45819.00 | 50461.00 | 68973.00 | 49772.00 | |
| PIMELIC ACID (M+NA)+ | 8591.00 | 9687.00 | 23794.00 | 16007.00 | - | 54884.00 | - | 6914.00 | |
| PIPECOLIC ACID (M+H)+ | 706593.25 | 555170.00 | 946385.00 | 636598.00 | 649664.00 | 352239.00 | 674689.00 | 514417.00 | |
| PROPIONYLCARNITINE (*) (M+H)+ | 345756.00 | 470293.50 | 264735.00 | 302841.00 | 613613.00 | 254165.00 | 691101.00 | 517328.00 | |
| RAFFINOSE (M+NA)+ | 11535.33 | 4572.33 | 10992.00 | 9962.00 | 5601.00 | 10012.00 | 6171.00 | 9896.00 | |
| RIBOFLAVIN (M+H)+ | 20687.25 | 13708.67 | 8595.00 | 8851.00 | 5962.00 | - | 12133.00 | 6286.00 | |
| SALICYLURIC ACID (M+H)+ | 69442.00 | 4774.00 | - | - | 43188.00 | - | 79263.00 | - | |
| SALICYLURIC ACID (M+NA)+ | 47779.00 | 4996.00 | - | 5118.00 | 23841.00 | - | 58906.00 | 8023.00 | |
| SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ | 145737.00 | 66429.00 | 113812.00 | 324873.00 | 228902.00 | 96100.00 | 126318.00 | 68180.00 | |
| SPERMIDINE (M+H)+ | 30734.00 | 55015.25 | 59526.00 | 110876.00 | 37052.00 | 58014.00 | 32163.00 | 59269.00 | |
| SPERMINE (M+H)+ | 14051.00 | 17551.75 | 30153.00 | 34892.00 | 17488.00 | 30365.00 | 14564.00 | 32750.00 | |
| SPHINGANINE (M+H)+ | 144786.50 | 5402314.50 | 173696.00 | 39847.00 | 259489.00 | 189078.00 | - | 93977.00 | |
| SPHINGOSINE (M+H)+ | 693867.75 | 274691.00 | - | 83633.00 | - | - | - | - | |
| STEAROYLCARNITINE (*) (M+H)+ | 3062020.00 | 646085.00 | - | 354029.00 | - | - | - | - | |
| SUBERIC ACID (M+NA)+ | 42444.25 | 91283.75 | 53293.00 | 67314.00 | 42487.00 | 73990.00 | 38106.00 | 35812.00 | |
| SULFADIMETHOXINE (M+H)+ | 1187612.75 | 426164.75 | 317069.00 | 1119513.00 | 127769.00 | 1708878.00 | 142768.00 | 307584.00 | |
| SULFADIMETHOXINE (M+NA)+ | 553307.50 | 212781.00 | 187537.00 | 546193.00 | 86512.00 | 722574.00 | 82500.00 | 178541.00 | |
| TAUROLITHOCHOLIC ACID (M+H)+ | 115886.00 | 208433.25 | 79865.00 | 23837.00 | 65176.00 | - | 317670.00 | 115835.00 | |
| TETRADECADIENOYLCARNITINE (*) M+ | 346825.50 | 352179.25 | 700962.00 | 77461.00 | 195805.00 | 251599.00 | 422589.00 | 462156.00 | |
| TETRADECENOYLCARNITINE (*) M+ | 1029588.50 | 881204.00 | 1536314.00 | 264684.00 | 755156.00 | 423251.00 | 771694.00 | 895616.00 | |
| THEOBROMINE (M+H)+ | 1615683.50 | 831414.00 | 554179.00 | 3264305.00 | 2263646.00 | 981972.00 | 66378.00 | 388997.00 | |
| THEOPHYLLINE (M+H)+ | 554283.50 | 498818.00 | 263487.00 | 570086.00 | 495305.00 | 620170.00 | 34981.00 | 712123.00 | |
| THEOPHYLLINE (M+NA)+ | 158805.75 | 108436.50 | 101536.00 | 191883.00 | 151984.00 | 154021.00 | 18081.00 | 47020.00 | |
| TRYPTOPHAN (M+H)+ | 22075000.00 | 24375000.00 | 23100000.00 | 24500000.00 | 25900000.00 | 19700000.00 | 30200000.00 | 29900000.00 | |
| TRYPTOPHAN (M+NA)+ | 659976.75 | 674767.00 | 656222.00 | 851643.00 | 748280.00 | 562985.00 | 728320.00 | 747396.00 | |
| TYROSINE (M+H)+ | 7938651.50 | 8835295.00 | 10100000.00 | 9958013.00 | 11200000.00 | 12900000.00 | 14300000.00 | 15300000.00 | |
| TYROSINE (M+NA)+ | 192610.00 | 190277.67 | 338647.00 | 229454.00 | 131235.00 | 200897.00 | 137478.00 | 161832.00 | |
| URIC ACID (M+H)+ | 2329685.25 | 2906640.00 | 2909978.00 | 2193046.00 | 2724789.00 | 2201797.00 | 2954980.00 | 2463979.00 | |
| URIDINE (M+H)+ | 13403.75 | 32912.75 | 1957.00 | 37196.00 | 23889.00 | 18808.00 | 14817.00 | 19369.00 | |
| URIDINE (M+NA)+ | 38574.75 | 82337.25 | 91638.00 | 50687.00 | 47799.00 | 62091.00 | 42298.00 | 84362.00 | |
| VALINE (M+H)+ | 6416657.00 | 7149959.25 | 7430448.00 | 7149842.00 | 8998798.00 | 9082610.00 | 7994241.00 | 8209327.00 | |
| VALINE (M+NA)+ | 28600.00 | 85425.50 | 60926.00 | 38834.00 | 47686.00 | 46040.00 | 48178.00 | 57422.00 | |
| XANTHOSINE (M+H)+ | - | 2687.67 | - | - | - | - | 4604.00 | - | |
| ZEATIN [ISTD] (M+H)+ | 1994487.25 | 1984391.00 | 2002556.00 | 2024307.00 | 2041717.00 | 2011879.00 | 2036142.00 | 2021465.00 |
Factors:
| F1 | Gender:female | Glycemic status:diabetic | Neuropathy:Neuropathy |
| F2 | Gender:female | Glycemic status:diabetic | Neuropathy:no neuropathy |
| F3 | Gender:female | Glycemic status:normoglycemic | Neuropathy:Neuropathy |
| F4 | Gender:female | Glycemic status:normoglycemic | Neuropathy:no neuropathy |
| F5 | Gender:male | Glycemic status:diabetic | Neuropathy:Neuropathy |
| F6 | Gender:male | Glycemic status:diabetic | Neuropathy:no neuropathy |
| F7 | Gender:male | Glycemic status:pre-diabetic | Neuropathy:Neuropathy |
| F8 | Gender:male | Glycemic status:pre-diabetic | Neuropathy:no neuropathy |
