Data for ST000842
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 16:0 LYSO PC (M+HCOO)- | 31670.30 | 28155.30 | 29176.00 | 364827.50 | 403052.50 | 401840.30 | |||
| 18:0 LYSO-PE (M-H)- | 106197.10 | 130845.00 | 100387.70 | 340106.50 | 440598.40 | 421359.90 | |||
| 2,4-DIHYDROXYPTERIDINE (M-H)- | - | - | - | 16887.88 | 16988.25 | 19649.20 | |||
| 2-DEOXY-D-GLUCOSE (M+Cl)- | 10769.50 | 9322.71 | 13449.10 | 99003.50 | 104072.33 | 86427.70 | |||
| 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- | 29705.00 | 29977.30 | 27735.33 | 756828.30 | 786538.50 | 765539.50 | |||
| 2-OXOADIPIC ACID (M-H)- | 20633.60 | 3935.00 | 14485.00 | - | - | - | |||
| 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- | 12787.44 | 15563.70 | 11688.10 | 89417.70 | 37409.33 | 77747.80 | |||
| 3-DEHYDROSHIKIMIC ACID (M-H)- | 71358.00 | 147257.67 | 34552.60 | - | - | - | |||
| 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- | 11352.00 | 10180.57 | 13186.67 | 104332.00 | 107623.50 | 109414.33 | |||
| 3-METHYLXANTHINE (M-H)- | 6105.00 | - | - | - | - | - | |||
| 4-HYDROXYBENZOIC ACID (M-H)- | 109478.80 | 82119.60 | 73100.90 | 17926.67 | 21347.00 | 14431.50 | |||
| 4-NITROPHENOL (M-H)- | 85983.90 | 101163.20 | 86089.60 | 48951.30 | 51137.00 | 49511.70 | |||
| 4-PYRIDOXIC ACID (M-H)- | - | - | - | 76021.50 | 81398.90 | 83076.50 | |||
| 5^-METHYLTHIOADENOSINE (M+Cl)- | 4147.33 | 5262.00 | 3393.56 | - | - | - | |||
| 5-OXOPROLINE (M-H)- | 218956.10 | 340703.22 | 243956.30 | - | - | - | |||
| ADIPIC ACID (M-H)- | 17330.60 | 18440.80 | 15763.40 | 21960.00 | 16965.20 | 19330.00 | |||
| ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- | 26539.88 | 24121.11 | 25368.00 | 299547.80 | 277589.90 | 267957.90 | |||
| ALPHA-KETO-GLUTARIC ACID (M-H)- | 360353.71 | 488426.12 | 458814.57 | - | - | - | |||
| ALPHA-LINOLENIC ACID (M+HCOO)- | 61369.10 | 53193.70 | 51931.60 | 209408.10 | 188569.60 | 229092.40 | |||
| ARACHIDIC ACID (M-H)- | 13333.70 | 13716.40 | 11220.70 | 17997.60 | 25974.40 | 22094.90 | |||
| ARACHIDONIC ACID (M-H)- | 185240.40 | 177527.20 | 161319.10 | 1178254.30 | 1443379.10 | 1347353.60 | |||
| AZELAIC ACID (M-H)- | 31195.90 | 36512.10 | 34007.50 | 14061.50 | 13651.80 | 14612.40 | |||
| BEHENIC ACID (M-H)- | 12979.10 | 12570.00 | 10805.11 | 9133.70 | 11854.40 | 9892.90 | |||
| BENZOIC ACID (M-H)- | 25414.20 | 27194.80 | 25738.10 | 21201.30 | 20022.50 | 19155.60 | |||
| BILIVERDIN (M-H)- | - | - | - | 11082.33 | 9218.50 | 8013.11 | |||
| CARNOSINE (M-H)- | 61245.70 | 72806.80 | 65002.80 | - | - | - | |||
| CHOLIC ACID (M-H)- | - | - | - | 14437.89 | 34440.71 | 18543.50 | |||
| CIS-11-EICOSENOIC ACID (M-H)- | 16310.70 | 13835.90 | 12617.00 | 529448.70 | 1063701.20 | 650402.60 | |||
| CIS-7,10,13,16-DOCOSATETRAENOIC ACID (M+HCOO)- | 5919.11 | 4166.80 | 4175.78 | - | - | - | |||
| CITRAMALIC ACID (M-H)- | 21836.00 | 27852.33 | 16532.00 | 111969.20 | 109554.40 | 131013.50 | |||
| CITRIC ACID (M-H)- | 95616.10 | 124833.90 | 71885.80 | 2271083.40 | 2753059.20 | 2198447.50 | |||
| CORTICOSTERONE (M+Cl)- | - | - | - | 3144.50 | 6080.50 | 4603.50 | |||
| CORTISOL (M+Cl)- | - | - | - | 155633.80 | 150320.20 | 136030.60 | |||
| CORTISOL (M+HCOO)- | 10125.90 | 13332.20 | 10366.60 | - | - | - | |||
| CORTISONE (M+Cl)- | 7359.40 | 8721.90 | 7694.10 | 48568.30 | 46178.90 | 42666.50 | |||
| CREATINE (M-H)- | 24217.00 | 20066.10 | 39046.50 | - | - | - | |||
| DEHYDROASCORBIC ACID (M-H)- | - | - | - | 147482.30 | 163388.70 | 151199.40 | |||
| DEOXYURIDINE (M+Cl)- | - | - | - | 45879.70 | 45757.50 | 46299.30 | |||
| DOCOSAHEXAENOIC ACID (M-H)- | 26973.00 | 24892.30 | 22447.67 | 623727.90 | 822753.60 | 689460.30 | |||
| EPIBRASSINOLIDE [ISTD] (M+HCOO)- | - | - | - | 2364940.40 | 2510314.20 | 2456393.20 | |||
| ERUCIC ACID (M-H)- | 9912.90 | 9946.60 | 9128.33 | 18833.20 | 24643.50 | 22304.60 | |||
| FUMARIC ACID (2M-H)- | 41640.11 | 56880.33 | 40849.33 | - | - | - | |||
| FUMARIC ACID (M-H)- | 321634.30 | 369650.40 | 313920.90 | - | - | - | |||
| GLUCONIC ACID (M-H)- | 30898.62 | 18189.50 | 23888.17 | - | - | - | |||
| GLUCOSE (M+Cl)- | - | - | - | 426946.25 | 508132.67 | 419680.00 | |||
| GLUTATHIONE (OXIDIZED) (M-H)- | 88296.33 | 120520.40 | 91931.56 | - | - | - | |||
| GLYCERIC ACID (M-H)- | 59145.60 | 39874.78 | 55790.50 | - | - | - | |||
| HEPTADECANOIC ACID (M-H)- | 30435.50 | 28856.50 | 26367.30 | 83364.70 | 117080.80 | 93847.10 | |||
| HIPPURIC ACID (M-H)- | - | - | - | 307306.10 | 225739.30 | 302774.00 | |||
| HYODEOXYCHOLIC ACID (M-H)- | - | - | - | 511792.80 | 494536.00 | 367901.60 | |||
| IBUPROFEN CARBOXYLIC ACID (M-H)- | - | - | - | - | 289699.00 | - | |||
| IBUPROFEN (M-H)- | - | - | - | - | 229057.33 | 3650.00 | |||
| INOSINE 5^-PHOSPHATE (M-H)- | 390896.10 | 401398.20 | 282865.00 | - | - | - | |||
| INOSINE (M+Cl)- | 178001.10 | 142828.60 | 99067.40 | - | - | - | |||
| INOSINE (M-H)- | 295250.70 | 288602.30 | 212542.50 | - | - | - | |||
| ISOCITRIC ACID (M-H)- | 36962.00 | 31528.10 | 23181.00 | 357688.78 | 427180.78 | 373117.67 | |||
| L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- | 460681.00 | 620734.20 | 521586.50 | 120192.80 | 131219.90 | 128717.40 | |||
| LAURIC ACID (M-H)- | 14400.00 | 13182.30 | 13541.00 | 16452.20 | 21974.30 | 18152.50 | |||
| LIGNOCERIC ACID (M-H)- | 4054.20 | 3110.20 | 3536.80 | 2873.50 | 3213.20 | 3302.70 | |||
| LINOLEIC ACID (M-H)- | 553509.90 | 463037.40 | 531809.90 | 3786771.60 | 5024585.00 | 4121980.20 | |||
| L-TRYPTOPHAN-15N2 [ISTD] (M-H)- | 493716.50 | 549623.90 | 497893.44 | 262519.40 | 260686.50 | 262666.10 | |||
| MALEIC ACID (M-H)- | 226764.33 | 287115.67 | 216238.50 | - | - | - | |||
| MALIC ACID (M-H)- | 3590633.67 | 4716669.89 | 3908858.50 | 66738.60 | 68585.20 | 83294.20 | |||
| MALIC ACID (M-H)+[-H2O] | 269913.57 | 280391.00 | 254801.33 | - | - | - | |||
| MANDELIC ACID #2 (M-H)- | 3645249.40 | 2374033.70 | 2453413.00 | - | - | - | |||
| METHYLMALONIC ACID (M-H)- | - | - | - | 43878.50 | 39768.50 | 43651.30 | |||
| MYRISTIC ACID (M-H)- | 30909.40 | 31163.90 | 30459.90 | 216243.10 | 321672.50 | 250073.70 | |||
| MYRISTOLEIC ACID (M-H)- | - | - | - | 39706.40 | 42799.70 | 39360.30 | |||
| N-ACETYL-L-ALANINE (M-H)- | 30259.00 | 28707.90 | 30647.22 | - | - | - | |||
| NAD (M-H)- | 2681.89 | 5161.88 | 4186.17 | - | - | - | |||
| NERVONIC ACID (M-H)- | 7718.90 | 7625.70 | 7091.00 | 30892.00 | 41399.20 | 34860.80 | |||
| OLEOYL-GLYCEROL (M+HCOO)- | 23223.90 | 27259.80 | 22585.00 | 15988.50 | 17888.80 | 16790.10 | |||
| OXALOACETIC ACID (M-H)-[-H2O] | - | - | - | 3818.70 | 9325.70 | 7119.43 | |||
| PALMITIC ACID (M-H)- | 402157.80 | 414303.10 | 376352.80 | 4273866.50 | 5680923.20 | 4621299.20 | |||
| PALMITOLEIC ACID (M-H)- | 53167.50 | 52185.30 | 49611.60 | 1076713.90 | 1383314.10 | 1124257.70 | |||
| PANTOTHENIC ACID (M+Cl)- | 78523.22 | 33986.90 | 20039.40 | - | - | - | |||
| PANTOTHENIC ACID (M-H)- | 793278.50 | 263018.00 | 156322.10 | 12605.30 | 11702.67 | 9199.22 | |||
| PHENYLALANINE (M-H)- | 20563.40 | 20546.80 | 19750.40 | 171196.70 | 171691.80 | 174615.70 | |||
| PHOSPHOCREATINE (M-H)- | 10635.50 | 3856.00 | - | - | - | - | |||
| PHTHALIC ACID (M-H)- | 11485.40 | 12296.20 | 12081.22 | 25647.70 | 26494.67 | 29410.90 | |||
| PHYTANIC ACID (M-H)- | 2810.00 | 2217.30 | 1958.30 | 126382.80 | 177385.80 | 146374.10 | |||
| PYRUVIC ACID (M-H)- | 58980.67 | 37771.10 | 39652.56 | - | - | - | |||
| RETINOIC ACID (M-H)- | 2008.70 | 3263.30 | 2232.75 | 15676.50 | 1175.00 | 20742.00 | |||
| SALICYLATE #2 (M-H)- | 9980.38 | 9932.50 | 10712.33 | 33890.70 | 48223.00 | 62540.30 | |||
| STEARIC ACID (M-H)- | 653337.90 | 661708.30 | 541968.80 | 2340566.30 | 3454746.60 | 2603372.80 | |||
| SUBERIC ACID (M-H)- | 9096.00 | 11731.10 | 10807.10 | - | - | - | |||
| SUCCINIC ACID (M-H)- | 654380.30 | 1004153.80 | 934120.80 | 43441.60 | 41457.80 | 53751.00 | |||
| THEOPHYLLINE (M-H)- | 7677.00 | 7148.00 | 10325.33 | 32946.83 | 22578.75 | 27451.33 | |||
| THYMINE-D4(METHYL-D3,6-D1) [ISTD] (M-H)- | 707316.29 | 821582.38 | 758656.00 | - | - | - | |||
| TRANS-ACONITIC ACID (M-H)- | 41764.50 | 62095.44 | 39035.67 | 484541.70 | 517121.80 | 427932.70 | |||
| TRANS-VACCENIC ACID (M-H)- | 511204.40 | 474062.60 | 462735.50 | 8842844.70 | 10380970.40 | 9826199.70 | |||
| TRICARBALLYLIC ACID (M-H)-[-H2O] | 180639.20 | 94382.10 | 165505.80 | - | - | - | |||
| TRICOSANOIC ACID (M-H)- | 3653.70 | 2590.90 | 2896.11 | - | - | - | |||
| TRYPTOPHAN (M-H)- | - | - | - | 1521198.80 | 1401055.90 | 1477992.10 | |||
| TYROSINE (M-H)- | 3951.88 | 4540.00 | 4012.00 | 19446.50 | 19966.60 | 20580.00 | |||
| URIC ACID (M-H)- | 15307.00 | 53944.43 | 27779.12 | 379127.00 | 367464.30 | 382189.20 | |||
| URIDINE (M+Cl)- | 256744.00 | 197340.00 | 185767.90 | 826714.00 | 827716.20 | 864680.80 | |||
| URIDINE (M-H)- | 26646.12 | 20387.78 | 16864.56 | 38549.40 | 45223.30 | 38244.70 | |||
| URSODIOL (M+HCOO)- | - | - | - | 23524.50 | 46132.50 | 19506.70 | |||
| ZEATIN [ISTD] (M+Cl)- | 237174.10 | 264857.70 | 233549.00 | 72723.20 | 68133.50 | 74126.20 |
Factors:
| F1 | Sample type:Muscles | Visit #:1 |
| F2 | Sample type:Muscles | Visit #:4 |
| F3 | Sample type:Muscles | Visit #:5 |
| F4 | Sample type:Plasma | Visit #:1 |
| F5 | Sample type:Plasma | Visit #:4 |
| F6 | Sample type:Plasma | Visit #:5 |
| F7 | Sample type:Pooled sample | Visit #:Pooled muscles |
| F8 | Sample type:Pooled sample | Visit #:Pooled plasma |
