Data for ST000744
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 16:0-18:0 PC (M+CL)- | 21864.00 | 10435.50 | 15184.00 | 14020.25 | 15312.67 | 17450.67 | 15673.50 | 14633.50 | - | 19326.00 | |
| 16:0 LYSO PC (M+CL)- | 79719.50 | 25698.50 | 31868.75 | 43768.50 | 31281.33 | 30166.67 | 34093.50 | 32811.50 | 32988.50 | 37145.00 | |
| 18:0 LYSO-PE (M-H)- | 447137.00 | 450441.00 | 439525.50 | 320409.00 | 289110.00 | 308744.33 | 386480.50 | 370394.50 | 442962.50 | 372785.00 | |
| 1-METHYLADENOSINE (M+CL)- | 2246.50 | 2347.50 | 2634.00 | 2360.75 | 2001.33 | 2937.33 | 1884.50 | 2418.00 | 2697.50 | 2497.00 | |
| 1-METHYLURIC ACID (2M-H)- | - | 5002.00 | 16444.50 | 25798.33 | - | 4845.00 | - | 5187.00 | 14497.00 | - | |
| 1-METHYLURIC ACID (M-H)- | 23383.50 | 61532.00 | 106373.00 | 205431.50 | 22109.00 | 106475.00 | 62773.00 | 92828.50 | 130590.00 | 14874.00 | |
| 1-METHYLXANTHINE (M-H)- | 1350076.00 | 542635.50 | 2105993.75 | 2719013.33 | 53163.00 | 340890.00 | 935419.50 | 890303.00 | 79604.50 | 86670.00 | |
| 24:0 SM (D18:1/24:0) (M+CL)- | 321075.00 | 798633.00 | 434132.00 | 587652.50 | 490787.00 | 462558.00 | 809036.00 | 643047.00 | 407977.50 | 337726.00 | |
| 2-DEOXY-D-GLUCOSE (M+CL)- | 5834571.00 | - | 1641352.00 | - | 254723.00 | 647209.00 | - | - | 836951.50 | 30816.00 | |
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 492693.50 | 526757.50 | 693471.25 | 529283.00 | 787180.00 | 901334.67 | 386450.50 | 480600.00 | 574853.00 | 304615.00 | |
| 2-HYDROXYBUTYRIC ACID (M-H)- | 284785.50 | 218652.00 | 182889.25 | 198856.50 | 469346.33 | 333654.33 | 276766.50 | 302899.50 | 267960.00 | 173801.00 | |
| 2-METHYLMALEIC ACID (M-H)- | 12185.50 | 16443.50 | 27529.67 | 13367.67 | 11031.67 | 9984.50 | 7542.00 | 15729.00 | 12290.50 | 24367.00 | |
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 9526.00 | 14152.00 | 19274.00 | 14797.00 | 18439.33 | 21176.67 | 13866.50 | 18105.00 | 28561.50 | 11583.50 | |
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 235467.00 | 310890.00 | 356470.00 | 277092.25 | 205065.50 | 324318.00 | 313282.00 | 281945.50 | 396801.50 | 233057.50 | |
| 3-METHYL-2-OXOPENTANOIC ACID (M-H)- | 3168324.00 | 2673399.00 | 2870370.75 | 2829975.00 | 3467383.00 | 4289364.33 | 3109370.50 | 2959082.00 | 3722221.00 | 2165539.00 | |
| 3-METHYLXANTHINE (M-H)- | 768546.50 | 135316.00 | 635195.75 | 1004692.67 | 54772.33 | 305385.50 | 251387.50 | 370309.00 | 83822.00 | 18869.50 | |
| 4-METHYL-2-OXOPENTANOIC ACID (M-H)- | 3951082.50 | 3225717.00 | 3947832.00 | 4186413.75 | 5397617.00 | 5972580.67 | 4556374.50 | 4480682.50 | 5188533.50 | 2995522.00 | |
| 4-PYRIDOXIC ACID (M-H)- | 149564.00 | 118819.50 | 215850.50 | 165449.00 | 150988.33 | 257169.67 | 314626.00 | 554701.50 | 266178.50 | 290014.50 | |
| 5-HYDROXY OMEPRAZOLE (M-H)- | - | - | 126667.00 | - | - | - | - | - | - | - | |
| ADIPIC ACID (M-H)- | 30310.00 | 40614.50 | 43058.50 | 35048.00 | 27893.67 | 48176.00 | 55118.00 | 44430.50 | 53986.00 | 34138.00 | |
| ARACHIDONIC ACID (M-H)- | 398674.00 | 411581.50 | 418085.50 | 439094.25 | 466648.00 | 430138.67 | 437154.50 | 474279.50 | 499492.00 | 339305.50 | |
| AZELAIC ACID (M-H)- | 14009.50 | 20787.50 | 17515.00 | 17144.00 | 13480.67 | 22634.67 | 16896.50 | 14096.00 | 16603.00 | 11429.50 | |
| BILIVERDIN (M-H)- | 6034.00 | 3875.00 | 5596.50 | 8026.00 | 10746.00 | 11943.33 | 9520.50 | 10411.00 | 6440.00 | 5435.00 | |
| CHOLIC ACID (M-H)- | - | - | 67051.00 | 7379.00 | - | 6169.50 | 4491.00 | 8072.50 | 1514.00 | - | |
| CIS-11-EICOSENOIC ACID (M-H)- | 5671.00 | 10420.00 | 5219.75 | 4204.75 | 5017.33 | 5776.33 | 5442.00 | 3383.00 | 7798.00 | 3799.00 | |
| CITRAMALIC ACID (M-H)- | 38927.50 | 73196.00 | 83115.00 | 62897.25 | 57307.67 | 57185.33 | 18755.50 | 53927.50 | 103692.50 | 38348.50 | |
| CITRIC ACID (M-H)- | 3328221.50 | 5361811.00 | 2493311.25 | 2956768.75 | 2839135.00 | 1965110.33 | 2190750.50 | 1924628.50 | 3292791.00 | 2594982.50 | |
| CORTISOL (M+CL)- | 35826.50 | 43943.00 | 75989.25 | 42011.00 | 42423.00 | 51351.33 | 41929.50 | 29526.00 | 58121.00 | 21319.50 | |
| CORTISONE (M+CL)- | 14366.50 | 16726.00 | 19086.50 | 18123.00 | 20973.33 | 21917.00 | 18145.00 | 16710.00 | 16812.00 | 11821.50 | |
| DEHYDROEPIANDROSTERONE SULFATE (M-H)- | 1158992.50 | 463508.50 | 494022.25 | 802602.50 | 591572.67 | 1162927.00 | 678922.00 | 1570039.00 | 672226.00 | 489671.50 | |
| DEOXYADENOSINE (M+CL)- | 26941.50 | 21547.50 | 20209.75 | 18752.25 | 34032.67 | 31442.67 | 26819.00 | 24355.50 | 20818.00 | 14916.00 | |
| DEOXYCHOLIC ACID (M+CL)- | 18235.00 | 17984.00 | 17824.00 | 13379.25 | 15133.67 | 9177.00 | 6939.00 | 12284.00 | 14904.00 | 5526.00 | |
| DEOXYCHOLIC ACID (M-H)- | 63339.00 | 61238.00 | 53111.00 | 39088.00 | 52680.33 | 24850.00 | 21120.00 | 44429.00 | 29837.50 | 21456.50 | |
| DEOXYURIDINE (M+CL)- | 70805.00 | 66403.50 | 72823.25 | 79726.75 | 95825.33 | 133646.33 | 105417.50 | 56022.50 | 81377.50 | 127596.00 | |
| DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)- | 47107.00 | 33901.50 | 20902.75 | 15822.00 | 24670.67 | 26020.33 | 23593.50 | 18387.50 | 27352.50 | 28448.50 | |
| DOCOSAHEXAENOIC ACID (M-H)- | 315147.00 | 420636.50 | 499106.25 | 577607.25 | 654045.67 | 553521.67 | 1080634.50 | 1139625.00 | 432961.50 | 246943.50 | |
| EPIBRASSINOLIDE [ISTD] (M+CL)- | 383760.00 | 410112.50 | 397302.75 | 397452.75 | 413143.67 | 409821.67 | 435505.50 | 403708.50 | 387327.00 | 236034.50 | |
| ERUCIC ACID (M-H)- | 3292.50 | 2598.50 | 2513.25 | 3815.67 | 7844.33 | 3986.00 | 3700.50 | 2155.00 | 3615.00 | 2809.00 | |
| GALACTARIC ACID (M-H)- | 5602.00 | 1521.00 | 4163.67 | 12152.33 | 3432.00 | 6514.67 | 9936.00 | 16859.00 | 5441.50 | 37093.00 | |
| GLUCOSE (M+CL)- | 884497.50 | 533194.00 | 782351.50 | 713770.25 | 733245.33 | 735192.00 | 888608.00 | 676413.00 | 630437.00 | 1470084.00 | |
| GLYCOCHOLIC ACID (M-H)- | 8413.50 | 18733.00 | 30615.67 | 10768.75 | 12214.00 | 18379.33 | 42135.00 | 41634.50 | 14338.50 | 8023.00 | |
| HEPTADECANOIC ACID (M-H)- | 8590.00 | 13137.50 | 9073.50 | 4954.75 | 7524.00 | 6831.33 | 11095.00 | 7001.00 | 7614.50 | 7065.00 | |
| HIPPURIC ACID (M-H)- | 236429.00 | 92889.50 | 385980.75 | 448873.50 | 102013.00 | 92235.67 | 90326.00 | 184211.50 | 149755.00 | 109050.00 | |
| HYODEOXYCHOLIC ACID (M-H)- | 82600.00 | 127569.00 | 101084.25 | 81378.50 | 78471.00 | 80920.67 | 134523.50 | 96815.00 | 100416.00 | 73152.00 | |
| IBUPROFEN CARBOXYLIC ACID (M-H)- | 35940.00 | - | - | - | - | - | - | - | - | 1305552.00 | |
| IBUPROFEN (M-H)- | 19066.00 | - | - | 2785.00 | - | - | - | - | - | 1282150.00 | |
| ISOCITRIC ACID (M-H)- | 1269496.00 | 1110532.00 | 5209466.50 | 5705144.75 | 5141745.67 | 3571184.33 | 5850666.50 | 6317871.50 | 4934997.50 | 3859782.00 | |
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 80907.00 | 66973.50 | 78014.25 | 65919.25 | 77807.67 | 80032.33 | 66948.50 | 71984.00 | 83208.50 | 42748.00 | |
| LAURIC ACID (M-H)- | 2090.00 | 5197.00 | 3316.00 | 2747.50 | 1860.00 | 3019.67 | 1634.00 | 2140.50 | 2298.00 | 1742.00 | |
| LINOLEIC ACID (M-H)- | 187097.50 | 226202.00 | 225177.75 | 219345.75 | 173178.67 | 210370.33 | 226341.00 | 232921.50 | 260652.50 | 148159.00 | |
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 80010.00 | 57509.00 | 66483.25 | 65200.00 | 72315.00 | 76262.67 | 70210.50 | 63070.00 | 71746.50 | 31137.50 | |
| MALIC ACID (M-H)- | 91941.00 | 48532.50 | 70198.75 | 59288.00 | 84412.33 | 82232.33 | 72010.00 | 79803.00 | 71183.50 | 82019.00 | |
| MEVALONIC ACID (M-H)- | 26005.00 | 25358.50 | 19182.75 | 31678.33 | 25601.00 | 21890.67 | 14606.00 | 24186.50 | 22915.00 | 9321.50 | |
| MYRISTIC ACID (M-H)- | 6646.50 | 14376.50 | 11782.25 | 7768.25 | 7450.00 | 7350.33 | 11157.00 | 11538.00 | 6549.00 | 4174.50 | |
| MYRISTOLEIC ACID (M-H)- | 2278.50 | 4545.50 | 5365.50 | 4876.25 | 9009.33 | 2755.33 | 3532.50 | 5392.00 | 3362.00 | 1569.00 | |
| N-ACETYL-D-GLUCOSAMINE (M+CL)- | 10262.00 | 8758.00 | 10394.50 | 9777.50 | 6633.67 | 8754.33 | 11501.50 | 8464.00 | 6563.00 | 6284.50 | |
| N-ACETYL-L-ALANINE (M-H)- | 174860.50 | 210968.00 | 187881.75 | 175697.25 | 207573.00 | 213311.33 | 246842.00 | 187763.50 | 206205.00 | 168822.50 | |
| NAPROXEN (M-H)- | 8654.00 | 525790.00 | - | - | 36075.00 | - | 101866.00 | - | 14642.00 | - | |
| NERVONIC ACID (M-H)- | 2541.50 | 2704.00 | 2133.75 | 1831.50 | 3366.00 | 2935.00 | 3854.00 | 1830.50 | 2914.50 | 1845.00 | |
| N-ETHYLMALEIMIDE (M-H)- | - | - | 17751.67 | 28649.33 | 10364.00 | 7658.50 | - | 16103.00 | 13324.00 | - | |
| OLEIC ACID (M-H)- | 413879.50 | 498871.50 | 422744.00 | 337388.50 | 399686.33 | 423642.00 | 445291.50 | 373240.50 | 556255.00 | 308787.00 | |
| OXALOACETIC ACID (M-H)-[-H2O] | 11939.00 | 13242.00 | 13017.25 | 13274.00 | 13919.00 | 18878.67 | 18426.50 | 16099.00 | 14460.50 | 13961.00 | |
| PALMITIC ACID (M-H)- | 45764.50 | 51871.00 | 42772.25 | 28294.00 | 38271.33 | 40544.67 | 42845.50 | 33538.00 | 51170.50 | 27587.00 | |
| PALMITOLEIC ACID (M-H)- | 36977.00 | 55150.50 | 64731.75 | 48500.00 | 36769.00 | 36680.00 | 66581.50 | 68430.00 | 40262.00 | 20609.50 | |
| PANTOTHENIC ACID (M-H)- | 17398.00 | 14199.00 | 20151.75 | 13483.25 | 16451.50 | 18027.67 | 11072.50 | 27076.00 | 21941.50 | 20451.50 | |
| PHENYLALANINE (M-H)- | 328622.50 | 383787.50 | 461010.00 | 433618.75 | 504507.33 | 557937.33 | 348956.50 | 483077.50 | 381974.50 | 268735.00 | |
| PHYTANIC ACID (M-H)- | 5187.50 | 11260.50 | 5298.25 | 4981.25 | 3299.67 | 5382.00 | 6081.50 | 3735.50 | 5131.00 | 3167.50 | |
| RIBITOL (M+CL)- | 150205.50 | 140268.50 | 241621.50 | 257387.00 | 188479.00 | 204473.33 | 188242.50 | 320041.00 | 142263.50 | 133392.00 | |
| RIBOFLAVIN (M+CL)- | 3137.00 | - | 1268.00 | - | 1179.00 | 1926.00 | 1942.00 | 13851.00 | - | 1734.00 | |
| S-ADENOSYL-L-HOMOCYSTEINE (M-H)- | 4979.00 | 6535.00 | 4607.33 | 4160.50 | 3772.67 | 7824.00 | 4507.00 | 5289.00 | 4112.00 | 7359.00 | |
| SALICYLATE #2 (M-H)- | 20179.00 | 96813.00 | 193229.50 | 62285.00 | 294179.50 | 70682.00 | 831710.00 | 34623.00 | 3109195.00 | 439638.00 | |
| SALICYLURIC ACID (M-H)- | - | 6926.00 | 7842.33 | 3367.50 | 12431.00 | - | 25788.50 | - | 146191.00 | 17320.50 | |
| STEARIC ACID (M-H)- | 54177.50 | 77488.00 | 37111.25 | 26767.00 | 39073.00 | 39070.67 | 52823.50 | 28769.50 | 46540.00 | 26930.50 | |
| SUCCINIC ACID (M-H)- | 165241.00 | 143061.00 | 250458.50 | 235468.50 | 166062.00 | 194424.00 | 194101.50 | 296803.50 | 92998.00 | 146814.00 | |
| THEOPHYLLINE (M-H)- | 28716.50 | 52257.50 | 102795.00 | 169384.00 | 35751.67 | 40719.33 | 30858.00 | 96359.00 | 49132.50 | 13085.00 | |
| THYROXINE (M-H)- | 5438.00 | 4597.00 | 5532.50 | 3454.50 | 4093.67 | 4320.33 | 3363.50 | 3247.50 | 6692.00 | 5558.00 | |
| TRANS-ACONITIC ACID (M-H)- | 957213.00 | 939973.50 | 1036927.25 | 1244531.75 | 1289350.33 | 916409.50 | 1025307.50 | 1306394.50 | 1022430.50 | 1173340.50 | |
| TRYPTOPHAN (2M-H)- | 118240.50 | 66685.00 | 102030.25 | 113849.75 | 114710.00 | 160788.33 | 88307.50 | 88865.00 | 115079.00 | 44508.50 | |
| TRYPTOPHAN (M-H)- | 631687.50 | 406731.00 | 550290.50 | 593086.50 | 598697.67 | 766727.33 | 511179.00 | 499261.00 | 609564.00 | 269876.50 | |
| TYROSINE (M-H)- | 32396.00 | 39437.00 | 40953.50 | 38917.50 | 41108.33 | 45437.67 | 30468.00 | 38866.00 | 29870.00 | 29515.00 | |
| URIC ACID (M-H)- | 1347636.00 | 1586415.50 | 1664339.00 | 1619815.25 | 1766335.33 | 2070348.00 | 1719515.50 | 1899364.00 | 779372.50 | 1070165.00 | |
| URIDINE (M+CL)- | 3276390.50 | 3786596.50 | 4068890.00 | 4596664.25 | 4118471.00 | 4774974.33 | 3310196.50 | 4880814.00 | 2581756.50 | 2492841.00 | |
| XANTHINE (M-H)- | 87063.50 | 152942.50 | 138068.25 | 163575.50 | 144663.33 | 158268.67 | 158806.50 | 233607.00 | 48080.00 | 59106.50 | |
| XANTHOSINE (M-H)- | - | 10950.00 | 11767.00 | 15452.67 | 9682.00 | 12003.00 | 9011.00 | 12559.00 | 1415056.50 | - | |
| ZEATIN [ISTD] (M+CL)- | 523412.50 | 523454.50 | 528914.50 | 517445.25 | 527325.67 | 493868.00 | 528739.00 | 515285.00 | 544405.00 | 337041.00 | |
| ZEATIN [ISTD] (M-H)- | 186436.00 | 193653.00 | 185824.00 | 185165.75 | 185820.67 | 181771.00 | 208282.00 | 181895.00 | 175639.00 | 108506.50 |
Factors:
| F1 | Gender:female | Glycemic status:Diabetic | Neuropathy:Neuropathy |
| F2 | Gender:female | Glycemic status:Diabetic | Neuropathy:no neuropathy |
| F3 | Gender:female | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy |
| F4 | Gender:female | Glycemic status:Pre-diabetic | 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:Normoglycemic | Neuropathy:Neuropathy |
| F8 | Gender:male | Glycemic status:Normoglycemic | Neuropathy:no neuropathy |
| F9 | Gender:male | Glycemic status:Pre-diabetic | Neuropathy:Neuropathy |
| F10 | Gender:male | Glycemic status:Pre-diabetic | Neuropathy:no neuropathy |
