Data for ST003439   

(Analysis AN005671): Average values per metabolite and experimental factor (Units:Normalized peak area)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16
(±)11-HETE
1283561.85 338613.65 1102522.14 1215095.12 1440533.10 1321684.31 1772238.51 903924.08 433870.34 980021.56 911474.41 793604.76 419718.42 1086875.65 1785514.41
(±)12(13)-DiHOME
859234.14 516039.04 720828.33 973199.13 1948772.29 1322469.66 741767.51 447727.17 650256.41 425473.36 511708.40 483448.08 535078.09 558575.99 396529.26
16-Hydroxyhexadecanoic acid
746206.32 475517.62 690887.39 816261.71 700281.51 822253.57 711843.95 647833.02 653168.53 475701.96 788801.26 557282.31 575968.16 579523.90 614769.38
1,7-Dimethyluric acid
1280927.81 716963.39 1148374.93 1670455.49 1655434.71 1613315.76 2562435.90 1767467.19 696960.08 1155709.23 2614352.20 987984.05 603676.51 1553188.01 3455859.41
2-Cyclopentylphenol
365349.75 163438.92 370983.55 221020.14 1317034.69 625261.25 222979.36 1081687.71 520066.07 1464997.47 192266.06 430672.60 258510.60 456989.38 292963.14
2-Ethylhydracrylic acid
2115866.53 2133160.10 2273062.84 2165754.49 2680033.98 2167081.56 1988715.31 2048907.17 2222427.70 1779834.46 1515436.59 2112069.14 1806195.62 1920472.22 1979263.69
2-Furoic acid
87236.04 158619.45 112939.03 152829.41 133543.92 156871.41 140646.44 100679.05 139261.73 141731.95 146419.83 101126.92 145726.33 103241.54 143690.55
2-Methylbutyrylglycine
119732.77 97155.96 175264.70 114234.33 229009.92 253596.76 116852.64 113554.10 145354.96 222153.29 111204.02 146372.17 167174.71 199358.05 139734.30
2-oxoglutaric acid
636624.41 1087578.45 734958.91 661301.61 821161.72 801438.98 747318.73 750753.48 815682.75 986792.56 750147.70 729246.84 899004.94 788090.79 685295.01
2-Phenyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one
2355815.16 1745281.79 2239781.88 2414333.19 1864249.77 1862513.55 1861136.29 1845417.37 2108682.67 1773334.58 1842720.50 1341815.14 1244584.70 1470849.54 1345602.67
(2R)-7-Methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D...
604836.97 491943.10 596731.81 732443.75 853635.33 681687.12 765254.32 607782.39 297948.16 578738.87 762175.03 760899.17 607599.98 485699.37 783847.62
(2xi)-D-gluco-heptonic acid
139459.19 384976.84 251436.53 172809.70 249507.07 371246.02 204093.94 215597.51 398049.08 305045.33 176640.25 250289.06 355200.59 367386.85 212170.88
3-Methyl-2-oxovaleric acid
22683214.10 50534930.32 26100029.85 15580028.94 19644977.02 18192640.96 17564308.81 17573660.25 26187298.34 17403836.59 14995375.25 19679323.70 39135187.91 16423620.08 19293009.34
3-phenyllactic acid
1861112.63 2457299.39 1497917.84 1312774.17 13938845.65 6464337.09 1920385.95 3380477.50 1970266.09 2643262.85 1613098.51 2962299.68 2843332.77 2444238.21 2571303.83
4-Hydroxy-5-(3-methoxyphenyl)pentanoic acid
394772.91 599712.03 662295.29 552361.55 2065590.58 1605176.95 440069.13 1656132.87 1255779.59 3211466.91 437633.94 840748.84 687683.94 1610876.24 715631.27
4-Hydroxyhippuric acid
46376.99 11744.81 29764.28 70557.89 93780.42 91939.23 61693.43 58950.20 128985.27 27868.73 58052.86 64976.45 23752.15 35224.34 40946.44
4-Hydroxyproline
130883.77 189924.38 149476.44 196619.67 207986.27 170787.16 237234.17 135041.56 157073.71 158514.19 199225.96 161145.97 178536.88 207872.77 172106.97
4-Methyl-2-oxovaleric acid (ketoleucine)
33012627.10 91151516.85 34686687.51 22550488.40 34308502.63 36689107.93 22681222.27 35933042.38 66256616.16 31318819.32 23961151.65 33475260.21 43829535.47 29895442.82 21438429.73
4-tert-Amylphenol
811761.20 438318.61 1344310.79 1338549.60 1744675.33 1865771.24 1169160.32 1115528.55 1949764.89 2987170.05 1003371.67 943126.37 865714.44 1521916.10 950323.97
5-Methoxysalicylic acid
262662.31 358652.89 263643.37 279851.43 352060.23 297520.51 279360.78 270153.64 270674.41 286392.43 234944.45 311850.99 243011.75 265510.86 289483.33
Acesulfame
1243326.22 612132.64 854198.23 1053194.53 790560.31 807892.48 1942074.58 802529.93 896003.65 737132.66 1620676.98 519239.89 760454.03 482216.73 2154467.91
Allantoin
114455.94 120165.68 110917.98 166319.66 163998.86 126768.43 169674.93 120981.18 116942.15 105234.47 137893.88 118823.35 85140.14 122656.26 148348.64
Arginine
4734049.30 4698395.80 4071272.99 4486848.28 4385746.21 3899558.27 4689430.69 4627066.79 4314383.78 3885368.35 4663974.56 4364680.91 4004177.23 4113633.50 4639163.57
Asparagine
528835.55 719891.37 573885.59 651081.94 563238.58 573716.43 648283.90 573722.72 702838.80 639394.70 671273.89 632949.38 795992.05 599361.70 627997.28
Aspartic acid
336393.53 357630.08 297569.14 383811.86 406974.91 267280.16 403267.99 386468.46 340658.09 299412.52 467241.25 410196.36 298446.32 339127.96 428726.68
Beta-alanine
1777499.98 2177609.23 1822515.99 983847.01 2584872.46 1935992.33 989787.93 2219509.37 1814203.55 1883019.07 926825.81 2074496.23 1801848.98 2141160.35 1118090.98
camalexin
46471.02 68533.55 50111.78 53441.97 50551.67 50117.41 54155.95 50048.72 65525.15 49160.11 54841.13 55304.72 64116.14 49841.75 49399.92
cis-Aconitic acid
29161.61 54666.47 29943.25 53981.43 40142.50 45595.81 66268.25 25787.87 45206.38 29073.03 50355.89 23101.21 24788.98 21136.50 54495.52
Citric acid
3469527.02 6050194.64 4073292.83 5206419.17 4352824.06 5373357.55 4949971.81 3498388.58 5055096.48 4802842.19 5230449.31 4085834.72 5339232.20 3784641.76 4971116.44
Citrulline
1100113.25 1777122.11 1181451.83 1954135.56 1083838.94 1210067.57 1983355.04 1003280.92 1358785.25 1043313.92 1900613.55 1070676.45 1374319.80 1188349.44 1870289.88
Creatine
1466280.34 1777812.12 1546089.98 777069.77 2205394.03 1703702.03 791031.36 1858368.36 1594087.19 1575803.17 720048.73 1724209.82 1497791.32 1800341.63 898201.34
Cystine
88240.17 52893.93 94896.39 91595.12 78330.39 103613.57 91222.35 95453.46 99173.91 87116.87 78393.70 64933.04 71448.45 87622.83 67286.88
Deoxy-hexose2
68806.85 92660.57 65174.54 91333.25 52915.17 70650.74 73606.57 52763.93 48430.43 48643.08 61321.40 54170.26 62921.89 50568.88 81359.44
deoxyxylulose monophosphate
641073.00 599801.30 855275.56 832041.16 632684.14 1059846.16 607865.63 939723.07 1004827.66 873399.14 578550.48 722470.84 1646355.85 579489.44 621248.43
Dodecanedioic acid
6034473.30 9438912.17 4372393.72 4897621.19 5710293.39 5924344.93 4917379.32 6981364.94 8875138.20 6191474.83 8740312.86 5724059.90 6285746.97 5031622.14 5351658.47
Galactonic acid
2520655.76 2170827.39 4991050.33 6552309.88 2672754.77 5879406.06 2233143.32 4486452.08 5768837.18 4644453.68 2064941.31 3386196.41 9823222.00 2298643.91 2387184.81
g-Butyrobetaine
89673.70 125792.95 100332.37 89727.33 114506.10 99008.74 87001.82 79862.20 102434.85 78124.13 68821.08 79694.72 96385.93 82829.76 76869.67
Glucuronic acid
483502.74 401490.42 377666.94 145907.67 1012115.95 626442.32 160173.02 647825.39 130614.94 394484.81 208463.29 460460.14 221937.18 401579.41 207841.03
Glutamic acid
7331573.44 6238291.52 7152430.27 9125757.68 8089361.15 7175879.78 11630139.82 7261828.09 5222627.52 7336800.81 9900885.51 7061054.65 5977974.97 8368805.71 9710437.21
Glyceric acid
932991.42 1224439.66 985749.20 1223629.53 1041796.17 1050477.26 1141061.42 999279.29 928450.62 1279344.92 1170631.09 866607.65 981624.54 884438.15 1042948.36
Glycochenodeoxycholic acid
1645032.49 494649.68 2940306.78 1254954.07 5024537.23 4596420.41 2079415.54 751169.35 314014.25 927806.60 2651974.96 1633876.00 1051464.82 707483.56 1662849.07
Glycocholic acid
1516423.66 668710.98 2572583.94 738028.44 4437305.69 2167098.25 1095990.26 623170.68 220864.13 565941.95 4838242.55 1311961.72 1197517.83 1086284.22 2695045.03
Glycolic acid
346827.63 437206.59 361298.19 430800.29 415070.42 405250.05 391654.78 379292.96 305521.16 388022.82 361287.67 334486.24 347565.92 348454.01 360964.23
Glycoursodeoxycholic acid/GUDCA
1151367.27 578444.00 595426.62 487644.23 576620.17 556779.48 652250.06 1187641.10 308171.05 5359483.96 6113476.03 940437.55 1002819.00 1868553.73 3849266.18
Hexadecanedioic acid
902464.34 511537.89 775092.34 945202.12 958761.33 992677.26 1058853.31 844700.52 980686.04 863508.29 1200538.41 1243981.19 1289994.82 1043371.44 1077560.47
Hexose1
38412233.95 38743503.39 36996870.53 35174317.20 40848398.50 39331172.75 34238549.97 42512271.94 47814875.66 39893279.98 37180746.73 40854534.91 35449974.72 38640545.69 35252953.25
Histidine
2294605.39 3438692.12 2597438.60 3065860.65 2663356.24 2723702.19 2970798.64 2351109.11 3031390.58 2706549.60 3011505.42 2359380.47 3128855.99 2313709.83 2808982.43
Homocitrulline
19689.36 17322.06 25613.08 26181.73 42748.15 47072.84 41649.24 25447.21 24115.64 27216.55 25080.74 27211.94 23159.54 31693.54 27370.44
Hydroxybutyric acid
197809461.93 160920752.79 184893942.90 121191800.49 166982277.13 128784991.50 106791544.72 144895914.14 158411077.98 121284502.44 86651986.41 149099878.31 114611829.05 107525435.67 88136010.26
Hydroxyisocaproic acid
6308840.19 3571681.74 5575776.75 5947294.39 9687080.79 7833448.37 5609810.97 6593956.76 2572517.71 7029447.99 7790466.50 8103474.29 10659047.83 4430995.91 10258828.65
Hydroxynorleucine
2528540.40 5100964.93 3609121.78 2774763.28 2996447.78 3486125.10 2910419.95 2768777.34 3743246.70 3658329.70 2658220.38 2737238.60 4309170.64 3388934.87 2712528.48
Hypoxanthine
1502818.66 2250079.00 1492860.63 1918520.54 1530276.67 1501729.27 1797899.26 1691690.28 1976129.17 1376820.92 1861858.27 1652819.33 1423506.88 1647514.72 1940835.89
Isocitric acid
400251.46 616388.21 415307.53 457724.05 487861.05 512122.72 475637.99 403157.65 474653.23 455640.75 456175.28 434669.33 416648.74 461888.19 463830.87
Lactic acid
407190748.41 630163476.78 434984435.01 418477879.07 475562637.47 493227101.08 405484356.95 432149689.65 581096386.19 483156906.68 426840359.41 446229414.79 527402289.23 470735525.26 442618927.84
L-(+)-Erythrulose
812091.21 1289712.32 898193.13 529876.36 1323073.38 1349067.51 642347.58 1026675.32 1271010.05 1267063.08 564924.01 948254.31 1072227.46 840422.07 547204.73
Linolenic acid
121896.97 134469.03 100725.73 139524.43 161673.09 112465.65 186153.50 104741.64 184787.48 106034.31 150170.46 144182.97 155999.18 105251.82 173218.52
Lysine
215123.35 268620.77 214604.25 226245.78 203678.13 196123.82 216582.18 213694.64 215253.01 208479.85 221597.81 209288.84 230433.29 207063.73 217664.10
Malic acid
1622546.01 1597864.54 1936501.82 3114042.88 2109014.75 2095954.42 3359458.11 1863101.52 1584117.06 2531491.86 2944228.16 1439224.29 1807225.02 1565160.64 2044615.98
Methionine sulfoxide
101352.64 136083.59 93852.19 87655.93 126588.05 96817.87 89631.18 105347.72 62293.89 94943.36 76856.75 109835.15 84924.94 110248.34 88258.76
Miglitol
1861978.99 3599168.74 2686196.28 2046053.37 2232208.70 2593528.60 2159803.96 2052019.82 2753207.43 2714802.56 1962211.02 2020481.83 3230076.82 2505825.30 2000746.29
Mimosine
180958.06 1588492.80 127448.36 166959.27 188367.50 145566.81 196154.02 214778.49 47744.94 149611.63 192572.34 90595.18 93033.67 102637.64 238993.34
N1-[4-(acetylamino)phenyl]-2,2-dimethylcyclopropane-1-carbox...
2452954.85 1358812.34 1629898.27 1988236.40 1681293.10 1913093.24 1918057.36 2391726.53 1602987.20 1755569.28 2180536.25 1429029.42 1297133.12 1664113.12 2014344.05
N-[(2S)-2-Hydroxypropanoyl]valine
185893.21 275941.48 221631.14 180389.14 243503.37 197286.52 171517.86 163302.78 226512.45 162250.22 143981.57 162649.75 202409.52 170040.21 159378.67
N-Acetyl-alanine
693849.46 938531.97 688094.77 686732.68 921935.51 841965.53 714388.73 748257.69 763864.45 742014.44 674658.77 744694.05 677739.30 780831.38 711106.41
N-Acetylaspartic acid
41453.70 64119.37 46878.76 59743.38 63968.30 72161.39 78600.00 46068.31 73748.37 53683.96 58169.61 42607.61 58092.05 44393.47 53142.06
N-Acetylornithine
121436.14 190098.24 137465.32 184351.68 115989.86 139520.27 203125.54 100460.92 124555.50 98532.17 172395.48 103100.68 84247.05 115654.14 144734.29
N-Acetyl-phenylalanine
58496.13 55438.40 63145.88 63930.51 43451.29 53307.30 46287.34 46443.01 79093.27 47870.31 59211.02 45802.10 42425.51 49809.13 43208.53
N-Acetylvaline
239567.22 246052.41 150250.01 124040.46 627399.12 286971.51 146256.58 214179.31 212232.98 230623.18 102141.66 151120.71 168951.01 164061.65 136926.78
Naringenin
3610855.43 2066447.03 3790777.53 4065989.55 1432411.83 1414888.53 1412994.38 1340696.57 1608564.57 1276005.81 1336808.64 1576844.60 1626161.00 1459995.06 1580403.75
N-formylmethionine
67436.26 128567.03 63252.11 71617.90 116916.01 121239.01 75128.90 75472.36 66487.02 67224.22 61671.45 69298.84 56577.91 69045.69 68549.47
N-Iso-Valerylglycine
120290.47 97535.90 174081.65 117767.65 228533.11 253213.09 115184.55 113465.57 149810.82 222337.42 112436.99 146388.25 167269.67 198932.72 140850.54
NP-021797
704954.53 1005890.26 743087.44 730007.24 5148334.54 3237144.12 712898.07 896663.62 2156684.63 452375.54 527654.80 1012443.73 740525.46 421319.87 670545.37
Ornithine
107523.77 114954.12 103338.78 115159.13 108009.26 91406.01 115620.76 109026.63 88820.35 107151.98 110824.33 96674.27 97498.56 92098.53 111749.07
Orotidine
35585.65 26630.21 35618.47 31135.29 32702.10 32751.21 26720.57 23132.51 22912.10 26669.30 23309.24 81236.60 28568.45 75678.48 45978.38
Phenylalanine
12052183.23 16496730.34 12110696.97 9413887.83 15001461.88 12943257.60 10733849.46 13116168.79 12967510.81 13333564.38 10269461.44 12957794.84 13359361.86 12295605.48 10626335.32
Pyruvic acid
3083809.05 5771189.40 3647068.53 2699840.36 4157395.82 5404013.66 3670572.13 3774031.21 7334986.41 4896566.45 3654874.04 4233431.32 6047876.90 4041981.03 3295205.33
Quinic acid
143796.36 181449.35 130842.99 252166.21 144274.76 194991.35 302865.52 158869.77 145239.82 149627.79 285534.41 163573.57 162615.91 145289.04 272016.34
Ribulose-5-phosphate
36129.34 28134.22 28367.02 9856.12 75812.65 51456.76 11782.26 46000.67 9218.20 27153.45 14323.07 34270.33 13491.44 23116.61 14681.53
Saccharine
517282.62 267126.29 513519.40 250436.96 690634.74 315954.28 529747.80 285471.18 261492.31 132021.82 648795.52 1098124.92 189621.77 257684.29 627756.81
Sarcosine
232637.11 327453.15 254690.63 289994.48 245872.46 279437.04 280561.04 236542.57 349877.79 312456.14 305658.47 234002.20 358705.70 239203.89 287349.93
Serine
881199.16 933237.42 855085.81 1019367.16 798172.06 714515.57 1020754.41 805812.28 880703.22 756793.07 1010886.22 813097.92 906460.34 774666.72 927990.87
Sorbitol/Manitol
6758527.00 14739563.43 10084025.49 1792278.31 14104909.23 13962989.88 1564268.12 9760392.89 14735434.46 12150993.82 1549665.27 8360487.34 14616986.13 8615812.40 2439466.60
Succinic acid
2266272.75 2215868.33 2564528.28 3072501.60 2131816.47 2240773.07 2690545.12 1764060.55 1573729.61 1635804.12 1877893.75 1824756.99 1653628.08 2184506.71 2380168.79
Taurine
2067895.94 3631729.91 2223052.41 2673341.80 1859228.52 1997457.75 2589648.47 2037650.85 2805382.49 1994158.80 2663985.50 2200078.75 2558917.84 2582048.89 2924156.60
Taurochenodeoxycholate
2752489.99 169131.16 3391473.87 424893.08 2533651.83 1874844.71 1607085.03 1247479.92 640338.28 270482.11 3630197.86 1202893.02 494016.80 273703.80 941140.60
Taurocholic acid
498616.20 334716.97 876157.78 257732.48 582419.39 315739.95 960524.93 332265.55 190810.29 372356.22 7167649.85 618852.91 639859.15 453017.81 2047481.11
Taurodeoxycholic acid
2757276.65 168633.74 3391230.31 425257.76 2533763.29 1875019.41 1607258.70 1247874.27 640217.31 287557.16 3630191.24 1202688.23 493652.68 273387.07 941086.75
Tetradecanedioic acid
2036671.44 1953939.97 1847204.36 1844843.07 2051738.86 2132010.38 1864282.76 2360183.26 2700360.93 2195065.37 2716088.04 2338254.16 2347158.42 1924008.59 2223151.92
Threonic acid
2812575.59 3140602.00 3005398.93 3285854.85 3805270.29 3777432.40 3565265.50 3163153.02 2750025.53 3370646.43 3236039.52 3054008.37 3040984.97 3045874.93 3374033.36
Torsemide
335185.20 190363.90 158825.71 133885.32 569832.07 1312599.30 207724.85 405649.20 115007.36 444500.13 144560.71 290760.34 302469.11 222237.88 269893.46
Traumatic Acid
729272.52 678849.85 1053261.54 1032182.61 2823597.33 2653084.19 1053829.22 724394.28 1045656.72 572660.03 769449.91 794743.96 784458.46 736452.36 823155.81
Tryptophan
5462462.66 12152544.56 5658535.16 6215807.28 4232317.16 5050471.98 6694560.43 5085869.96 6920185.41 5396165.47 6870877.17 4520846.17 6092990.27 4567576.41 6217038.56
Uridine
400527.86 466571.68 329147.62 689020.67 361978.05 352278.05 600613.90 364838.98 348974.22 310280.23 648245.56 345150.62 323010.93 339436.74 614938.81
vanillic acid
240439.06 462986.63 229402.84 252497.81 274912.92 246660.07 226928.29 204896.97 247894.21 202412.74 196791.48 236787.81 182366.00 187929.24 233395.68
Xanthine
751485.12 1137555.15 780623.94 932654.79 783772.36 725456.69 843135.85 769610.40 902122.16 836211.54 860282.97 826891.82 1065220.40 986491.69 1004357.01
α-aminobutyric acid
368129.02 347668.11 344745.19 410473.99 380931.96 331116.71 512148.67 356817.54 288248.03 358647.06 446008.95 339942.56 303792.07 377587.49 425193.87
γ-Aminobutyric acid (GABA)
73673.65 66947.24 71571.29 79549.75 65979.01 62252.30 77248.65 72221.47 64076.94 79201.27 69041.15 62552.67 42425.81 63252.54 59075.91
δ-Gluconolactone
141139.25 167996.03 148620.24 138796.05 176472.54 175763.82 160391.26 159665.81 138614.75 168964.95 153187.29 152777.53 175885.43 156413.38 164420.71

Factors:

F1Sample source:blood | Group:Control | Timepoint:-1
F2Sample source:blood | Group:Control | Timepoint:-2
F3Sample source:blood | Group:Control | Timepoint:-3
F4Sample source:blood | Group:Control | Timepoint:Pre
F5Sample source:blood | Group:QC | Timepoint:NA
F6Sample source:blood | Group:Sepsis | Timepoint:-1
F7Sample source:blood | Group:Sepsis | Timepoint:-3
F8Sample source:blood | Group:Sepsis | Timepoint:Pre
F9Sample source:blood | Group:SIRS | Timepoint:-1
F10Sample source:blood | Group:SIRS | Timepoint:-2
F11Sample source:blood | Group:SIRS | Timepoint:-3
F12Sample source:blood | Group:SIRS | Timepoint:Pre
F13Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1
F14Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2
F15Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3
F16Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre
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