Data for ST002382   

(Analysis AN003881): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4
1,2-13C2-Myristic acid
25737.50 29042.33 23179.60 21482.92
13C3-Alanine
2260356.33 2273850.92 2046138.30 1870744.83
13C5,15N1-Valine
6866549.25 6741703.92 6314061.70 6352999.00
13C6-Leucine
827439.25 865782.33 794409.50 864768.25
13C6-Sorbitol
2164779.50 2285671.83 2304114.70 2377648.17
1,5-13C2-Citric acid
545995.00 485393.67 661122.30 985901.83
1,5-Anhydro-glucitol-4TMS
155244.67 27028.83 60955.60 4032.83
1-Hexadecanol-TMS
70468.42 78910.92 77008.40 61961.33
2,3-Bisphosphoglyceric acid-5TMS
6490933.33 7503366.58 6789785.30 7912360.33
2-Aminoadipic acid-3TMS
351801.08 352467.08 269434.00 174070.08
2-Aminobutyric acid-2TMS
183712.58 356968.50 205242.20 107139.83
2-Aminoethanol-2TMS
1010357.83 1132520.33 1137089.70 1203348.67
2-Aminoethanol-3TMS
12844943.50 11962732.17 14885206.70 13657664.08
2-Aminoisobutyric acid-2TMS
430141.75 376747.67 366891.00 370979.17
2-Aminooctanoic acid-TMS
7653.33 6895.08 5763.40 3448.17
2-Aminopimelic acid-3TMS
1413195.00 1235936.75 1701422.50 2532119.92
2-Deoxy-glucose-4TMS(1)
236771.75 258139.17 224886.30 190457.25
2-Deoxy-glucose-4TMS(2)
406074.00 792853.25 931494.30 1467755.83
2-Hydroxybutyric acid-2TMS
18431.83 84999.92 60630.90 99897.25
2-Hydroxyglutaric acid-3TMS
808488.50 540322.92 681105.50 724819.50
2-Hydroxyisobutyric acid-2TMS
123526.08 207673.00 147044.60 119526.75
2-Hydroxyisovaleric acid-2TMS
22524.33 23484.50 28256.60 43273.58
2-Ketoadipic acid-meto-2TMS(1)
1363224.33 1237640.08 1208955.70 1198973.00
2-Ketoadipic acid-meto-2TMS(2)
12598.00 17399.92 20613.50 24085.33
2-Ketoglutaric acid-meto-2TMS
13263.27 22602.45 37660.43 42728.20
2-Ketoisocaproic acid-meto-TMS(2)
17701.33 20306.33 17631.60 22973.50
2-Methyl-3-hydroxybutyric acid-2TMS(1)
8547.58 11094.83 11032.70 13603.92
2-Methyl-3-hydroxybutyric acid-2TMS(2)
7888.50 11111.08 8906.10 7682.17
2-Phosphoglyceric acid -4TMS
3550.33 4611.33 4620.90 5494.42
3-Aminoglutaric acid-2TMS
27357218.42 27817061.58 25336183.90 27084964.25
3-Aminoglutaric acid-3TMS
328966.67 302083.25 296226.40 291690.67
3-Aminoisobutyric acid-2TMS
19926.00 21456.83 18848.90 17759.67
3-Aminopropanoic acid-2TMS
1754032.17 1762239.67 1449801.70 1321081.75
3-Aminopropanoic acid-3TMS
775149.08 629309.83 676952.10 482488.67
3-Hydroxy-3-methylglutaric acid-3TMS
16412.75 36748.58 22155.90 17361.25
3-Hydroxyanthranilic acid-2TMS
26098.00 21839.00 22139.80 22982.50
3-Hydroxyglutaric acid-3TMS
22949.00 21624.33 22993.40 26298.33
3-Hydroxyisobutyric acid-2TMS
1596566.17 6659317.17 6305195.70 8349649.50
3-Hydroxyisovaleric acid-2TMS
667111.58 924977.08 996001.60 1306259.92
3-Hydroxypropionic acid-2TMS
466004.75 445466.75 427724.50 387055.00
3-Phenyllactic acid-2TMS
22925.58 10043.33 27426.70 49867.33
3-Phosphoglyceric acid-4TMS
71571.83 86439.67 86355.60 102600.33
3-Sulfinoalanine-3TMS
1418464.08 1314743.92 1202204.00 1455668.75
4-Aminobutyric acid-3TMS
2344262.92 1758389.58 3048645.30 4693997.58
4-Hydroxyphenylacetic acid-2TMS
26368.33 23228.58 26326.80 34264.50
4-Hydroxyproline-3TMS
18801581.17 17389637.25 15755415.60 11249769.17
5-Aminovaleric acid-3TMS
102325.92 69285.42 90698.90 103150.83
5-Methoxytryptamine-2TMS
112645.58 87360.00 112586.20 67538.83
5-Methoxytryptamine-3TMS
27229.50 31598.67 30815.70 27986.17
5^-Methylthioadenosine-2TMS
915076.08 1029787.17 1025622.20 1009633.67
5^-Methylthioadenosine-3TMS
75187.50 85920.67 85367.40 85466.08
5-Oxoproline-2TMS
29999904.00 29376234.25 29197630.10 29474925.58
Acetoacetic acid-2TMS(1)
12031.75 14294.25 13142.60 15017.08
Acetoacetic acid-2TMS(2)
20154.17 22779.92 21688.00 22531.92
Acetoacetic acid-meto-TMS
327262.83 343019.00 325072.10 331782.08
Acetylglycine-2TMS
2225468.83 2438943.67 1978806.80 1569745.00
Aconitic acid-3TMS
49328.42 27327.83 33219.50 25887.42
Adenine-2TMS
629691.33 693693.33 631591.90 665300.75
Adenosine-4TMS
14328826.92 14063937.33 14712910.90 13935307.92
Adenosine monophosphate-5TMS
357795.25 342545.08 365829.60 439038.50
Adipic acid-2TMS
33979.58 43210.42 36815.90 38095.58
Allantoin-4TMS
86340.50 82923.17 79033.80 77603.17
alpha-Glucose 1,6-bisphosphate-7TMS
107096.92 122890.08 110747.40 131685.75
Arabinose-meto-4TMS
130064.42 155742.08 168268.50 238659.50
Arabitol-5TMS
97584.25 75202.17 92225.80 111401.92
Arachidonic acid-TMS
25183313.67 25044340.42 22928108.10 23848812.75
Arginine-3TMS
1130006.83 1023593.33 1023118.10 1089954.83
Ascorbic acid-4TMS
49880.42 128943.92 126866.50 237736.67
Asparagine-3TMS
507335.67 669263.75 548581.40 566990.75
Aspartic acid-3TMS
26607881.00 27074441.00 24593905.90 26280513.75
Aspartic acid-d3-3TMS
597646.50 667173.75 584320.50 566420.92
Azelaic acid-2TMS
14415.17 16589.42 13970.80 16330.33
Benzoic acid-TMS
884907.83 708046.83 773868.70 598812.50
Cadaverine-3TMS
754976.08 688702.58 766632.90 494916.58
Caproic acid-TMS
1084429.42 1192483.50 1058208.30 1052030.50
Catechol-2TMS
25795.83 25411.25 24141.10 25392.92
Citramalic acid-3TMS
200513.00 87259.67 182597.00 253261.92
Citric acid-4TMS
1294235.58 1154009.83 1566751.90 2345918.50
Citric acid-d4-4TMS
21024.67 18817.00 26130.30 38766.17
Creatinine-3TMS
779645.08 822046.17 644790.00 540507.67
Cystathionine-4TMS
38730.67 37730.50 29837.20 14059.42
Cysteine-3TMS
22539659.58 22649108.75 21311219.50 22485334.92
Cystine-4TMS
2655399.58 2283247.25 2367079.10 2547142.50
Cytosine-2TMS
108974.92 73759.08 88824.10 67301.58
Decanoic acid-TMS
264991.75 278609.25 259986.20 272961.00
Dihydrouracil-2TMS
123210.00 103847.67 101552.60 89906.83
Dihydroxyacetone-meto-2TMS
4862.08 7597.25 6921.70 8802.08
Dihydroxyacetone phosphate-meto-3TMS(2)
15659724.50 14987431.25 15200519.60 16089825.33
Dimethylglycine-TMS
644697.08 683244.25 620543.80 556373.67
Docosahexaenoic acid-TMS
293115.00 313335.00 316341.20 412809.67
Docosapentaenoic acid-TMS
18338.08 20893.75 20846.80 19586.67
Dopa-4TMS
24183.58 21479.83 21769.70 20172.42
Dopamine-3TMS
241200.17 198583.92 188716.50 154552.00
Dopamine-4TMS
1589248.25 1135892.33 1198737.80 1105518.42
Eicosapentaenoic acid-TMS
24392859.33 24325309.58 22304723.50 23217371.58
Elaidic acid-TMS
1177624.33 1347886.92 1250603.40 1362051.25
Ethylmalonic acid-2TMS
45901.67 47466.25 37115.70 18707.00
Fructose 1-phosphate-meto-6TMS(2)
102961.25 177365.25 175616.90 281116.50
Fructose-meto-5TMS(1)
455018.83 1037248.75 1156781.70 2147551.17
Fucose-meto-4TMS(1)
143406.25 127612.33 117168.10 95351.83
Fucose-meto-4TMS(2)
41835.67 38334.58 34727.20 29895.42
Fumaric acid-2TMS
3215702.50 3256610.42 3672528.10 4925917.50
Galactitol-6TMS
6427402.33 7443805.33 12341081.90 12834126.17
Galacturonic acid-meto-5TMS(2)
1034134.00 918026.08 1029039.80 1196008.17
Glucaric acid-6TMS
72947.83 41021.00 94359.20 172735.25
Gluconic acid-6TMS
65528.50 111672.92 122828.70 171639.92
Glucosamine-5TMS(1)
436345.25 962102.58 1032312.80 1591049.67
Glucose 6-phosphate-meto-6TMS(1)
73690.33 115279.08 112202.20 171350.08
Glucose-meto-5TMS(1)
35930865.83 40300276.67 40842424.60 44684683.25
Glucose-meto-5TMS(2)
26595738.00 31164963.08 31757503.70 34508721.00
Glucuronic acid-meto-5TMS(1)
2140328.83 1571504.58 1888284.80 2619523.08
Glucuronic acid-meto-5TMS(2)
454034.58 466718.42 525715.80 832416.33
Glutamic acid-3TMS
27283706.75 26621277.58 25215899.30 26585749.33
Glutamic acid 5-methylester-2TMS
5671253.92 5587607.25 5532820.70 5273315.67
Glutamine-3TMS
5764777.17 6041911.92 5183310.10 4374703.25
Glutamine-4TMS
357555.50 518945.75 407579.10 388073.33
Glutaric acid-2TMS
100635.25 91626.83 113268.60 151445.25
Glutathione-nTMS
346996.75 318371.00 378914.20 564953.50
Glyceraldehyde 3-phosphate-meto-3TMS(1)
1923.75 2268.33 2253.30 3585.33
Glyceraldehyde 3-phosphate-meto-3TMS(2)
16256.17 22102.50 21079.70 32799.67
Glyceric acid-3TMS
2960634.92 2269693.75 2086706.20 1781371.33
Glycerol 2-phosphate-4TMS
574902.50 504571.67 520328.90 476296.92
Glycerol 3-phosphate-4TMS
22764822.67 22149444.58 21258979.30 22901050.08
Glycerol-3TMS
4498479.25 5039298.08 4900809.20 4815795.67
Glycine-2TMS
20451360.17 19774791.67 18028145.80 17873522.58
Glycine-3TMS
28409708.33 25949652.92 27198648.00 25454072.42
Glycolic acid-2TMS
958047.75 888239.92 858789.90 760873.50
Glycyl-Glycine-4TMS
36828.92 39923.67 33916.20 29530.92
Glyoxylic acid-meto-TMS
549381.17 573325.75 509455.80 437819.17
Guanine-3TMS
36238.50 38965.83 34322.10 37068.25
Guanosine-5TMS
265669.67 286368.50 242998.40 234690.75
Hexanoylglycine-2TMS
105.42 124.92 141.20 154.83
Hippuric acid-2TMS
403663.58 366920.00 361335.90 275600.75
Hippuric acid-TMS
17637431.58 13015835.33 14250563.30 9935436.50
Homocysteine-3TMS
96710.67 96883.92 69315.30 77840.67
Homocystine-4TMS
179374.42 68608.58 148146.60 271297.00
Homoserine-3TMS
5660.50 5686.00 4990.60 4601.33
Hydroxylamine-3TMS
3275479.08 3259976.00 3113847.90 3164271.50
Hypotaurine-3TMS
3379256.17 3091821.33 3519526.30 2072188.67
Hypoxanthine-2TMS
7875599.75 8541425.67 7581203.40 6562214.83
Indol-3-acetic acid-TMS
12133.00 24185.25 27376.50 39287.75
Inosine-4TMS
10239919.92 10826658.00 9906430.30 9449326.33
Inositol-6TMS(2)
34337656.58 33079290.33 32834108.70 32939860.33
Inositol phosphate-7TMS
3063244.08 2817481.75 2889070.20 2669133.75
Isobutyrylglycine-TMS
13845.75 12557.17 10712.00 6801.17
Isocitric acid-4TMS
24657.67 23531.08 30625.00 45220.00
Isoleucine-2TMS
19317517.33 19752101.25 19123874.40 20732493.08
Itaconic acid-2TMS
94354.75 93024.25 102511.60 127836.67
Kynurenine-d6-3TMS
6861.92 7420.33 7663.20 9062.50
Lactic acid-13C3-2TMS
3377177.67 4588582.00 4678047.00 5938203.92
Lactitol-9TMS
81985.17 192617.67 247727.80 512728.25
Lathosterol-TMS
331373.17 528885.25 495030.20 701657.25
Lauric acid-TMS
139251.67 172708.08 160387.90 168097.33
Leucine-2TMS
25449231.83 25973994.83 24430217.00 26252894.08
Linoleic acid-TMS
4401695.92 4561355.83 4487041.50 5594324.42
Lysine-3TMS
71915.50 109441.75 87698.40 64899.42
Lysine-4TMS
4799265.08 4524301.17 4003738.10 3157166.75
Maleic acid-2TMS
25306.67 26993.08 27805.70 35964.25
Malic acid-13C4-3TMS
1151.58 1130.75 1548.90 2115.83
Malic acid-3TMS
675326.25 659727.08 779134.90 1061586.83
Mannitol-6TMS
801422.00 620397.00 8106681.60 3678783.08
Margaric acid-TMS
676250.33 454278.75 670290.30 830850.00
Menadione-meto (1)
10667.25 11269.25 8054.80 7097.58
Menadione-meto (2)
44262.42 33711.25 39873.30 36283.92
Mesaconic acid-2TMS
118443.00 95275.75 84173.70 38129.00
meso-Erythritol-4TMS
12950.17 9088.08 12924.90 16550.67
Methionine-2TMS
297195.75 281894.58 304766.40 241110.58
Methionine sulfone-2TMS
9292.50 9000.67 9690.30 12393.25
Methylmalonic acid-2TMS
8833.83 5730.08 7233.00 6629.42
Methylsuccinic acid-2TMS
83707.42 66779.17 61300.10 35345.25
Monostearin-2TMS
1687096.08 1624358.33 1467009.60 1464248.83
Myristic acid-TMS
610241.08 683204.00 557535.30 485703.83
N-Acetyl-D-glucosamine-meto-4TMS (1)
559109.08 633047.75 542076.10 487425.25
N-Acetyl-D-glucosamine-meto-5TMS
11305096.58 9479120.50 9741767.40 8976610.58
N-Acetylgalactosamine-meto-4TMS (1)
21402466.50 18611741.33 18957912.10 18208079.67
N-Acetylgalactosamine-meto-4TMS (2)
20844970.83 17922509.58 18392740.70 17480339.83
N-Acetylgalactosamine-meto-5TMS
17368366.42 14449171.92 15030110.90 13857653.58
N-Acetylglutamine-3TMS
4396736.83 6365698.75 6678973.30 8551928.00
N-Acetyl-L-alanine-2TMS
25165788.08 25668897.83 24133557.30 25962349.50
N-Acetyl-L-alanine-TMS
29068.92 26731.00 27132.30 24408.17
N-Acetylmannosamine-meto-4TMS(1)
822408.83 893663.17 780291.60 717363.33
N-Acetylmannosamine-meto-4TMS(2)
11144178.25 9322497.67 9581947.00 8828593.42
N-Acetylneuraminic acid-7TMS
2824369.25 3483820.50 3310302.30 3568154.92
N-Acetylneuraminic acid-meto-7TMS (2)
244795.50 223277.92 260391.30 395673.50
N-Acetyl-Ornithine-4TMS
156407.33 357375.17 360899.40 629562.42
N-Acetylserine-2TMS
14132.17 13173.42 11444.20 7781.17
N-Butyrylglycine-2TMS
6650.42 11201.25 7563.50 8514.75
N-Butyrylglycine-TMS
7011.92 8588.58 7860.70 7723.00
Niacinamide-TMS
8692693.33 8491422.17 9408120.10 9816344.33
Nicotinic acid-TMS
101519.42 74833.25 93965.20 105577.67
Nonanoic acid-TMS
589284.50 522627.42 554116.90 571288.67
O-Acetylserine-2TMS
4287005.50 3626079.08 3905023.50 2321147.83
Octanoic acid-TMS
233255.58 233680.17 221252.80 233176.83
Octopamine-4TMS
136770.58 120400.17 123600.00 114801.75
Oleamide-TMS
190060.67 192923.83 175972.70 258394.92
Oleic acid-TMS
7255570.00 8446725.00 8545691.90 10658581.50
O-Phosphoethanolamine-3TMS
16793152.50 15501443.92 15633823.80 15804833.58
O-Phosphoethanolamine-4TMS
911540.25 668891.08 782833.70 737500.08
Ornithine-3TMS
3078649.50 2880737.33 2714838.80 2891746.00
Ornithine-4TMS
4229150.42 3615907.00 3329932.10 2706835.50
Oxalacetic acid-3TMS
26461.00 24525.83 23903.80 21759.42
Oxalic acid-13C2-2TMS
66205.42 59651.92 52617.00 47107.33
Oxalic acid-2TMS
377314.67 343699.17 301155.40 268256.00
Palmitic acid-TMS
25337612.92 26347275.50 25426810.60 26217877.33
Palmitoleic acid-TMS
201692.67 457422.25 229542.80 93697.58
Pantothenic acid-3TMS
1413354.08 1187434.00 1215117.90 1154523.67
Phenylalanine-2TMS
10060964.75 9904809.58 8732060.40 7950938.17
Phosphoric acid-3TMS
47980525.67 47567925.00 47091997.20 47096889.08
Pimelic acid-2TMS
2952.83 2258.58 2488.00 4142.17
Proline-2TMS
24672178.17 24396253.92 22704703.40 23596774.33
Putrescine-4TMS
299395.17 276802.58 376827.50 425768.92
Pyridoxamine-3TMS
36863.08 52509.67 55114.50 81497.08
Pyruvic acid-meto-TMS
2538957.08 2494123.50 2616678.60 2764882.33
Pyruvic acid-oxime-2TMS
662002.92 646985.67 609132.60 661577.75
Ribitol-5TMS
175828.00 191514.17 167924.40 142501.83
Ribonolactone-3TMS
65834.00 60869.00 80181.50 53242.42
Ribose 5-phosphate-meto-5TMS(1)
459629.33 450858.17 405327.70 406991.58
Ribose 5-phosphate-meto-5TMS(2)
123202.92 115202.67 95948.40 111554.83
Sarcosine-d3-2TMS
919325.25 1104967.67 883234.40 909111.75
Serine-3TMS
26416865.17 26831120.17 23889797.80 24221430.83
Sorbitol-6TMS
6747277.00 7985365.92 13072036.90 13676115.33
Spermidine-5TMS
340402.08 502611.92 523808.50 749679.33
Spermine-6TMS
119639.08 95069.08 85741.00 101054.75
Stearic acid-TMS
27766849.83 27660384.25 28346482.70 27349040.00
Succinic acid-2TMS
12106184.33 12398431.67 14018805.60 16880271.75
Sucrose-8TMS
885240.00 824350.08 5842163.80 4466780.58
Tartaric acid-4TMS
34807.42 28068.58 27608.10 25089.25
Taurine-13C2-3TMS
4768957.25 3925567.67 3594796.10 3372325.42
Taurine-3TMS
19466915.25 18092698.92 16572510.80 15407801.00
Threitol-4TMS
50070.83 39584.08 55403.00 69700.58
Threonic acid-4TMS
4707466.83 4113498.33 3500959.80 3229944.17
Threonine-3TMS
16932995.42 15344903.25 13416601.10 8901275.83
Thymine-2TMS
21287.83 19384.58 15858.00 11012.33
Triethanolamine-3TMS
25494.00 29234.83 33268.10 28282.00
Tryptophan-3TMS
11194609.75 11062237.25 10002721.40 9256533.50
Tyramine-3TMS
15238615.50 14266929.08 13197458.50 10491268.08
Tyrosine-3TMS
20264706.83 20315090.75 17600645.10 17650745.17
Uracil-2TMS
4531005.33 4464807.33 4110304.20 3680177.50
Urea-2TMS
54671632.08 51929373.50 53969352.10 58692790.50
Uric acid-4TMS
504242.17 653101.17 544740.30 432424.25
Uridine-3TMS
4896978.33 5929914.50 5174568.30 5274010.50
Valine-2TMS
24477264.50 24845398.00 23462968.10 25664340.83
Valine-d8-2TMS
3497.00 2812.25 2989.40 2792.00
Xanthine-3TMS
3934526.50 4712713.83 3988747.30 3278808.50
Xanthosine-5TMS
77034.92 109028.58 89386.40 89243.08
Xylitol-5TMS
402623.17 367186.42 449040.70 597239.83

Factors:

F1Treatment:CTRL
F2Treatment:MHG
F3Treatment:QC
F4Treatment:SHG
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