Data for ST002711   

(Analysis AN004393): Average values per metabolite and experimental factor (Units:normalized peak heights)

Metabolite structureAll dataF1F2F3F4F5F6F7F8
1,2-Diamino-2-methylpropane
6241.43 6494.64 6350.75 6226.43 5582.82 200.18 5249.44 7315.79
1,3 Cyclohexanedione
1425.19 1248.07 1359.62 1271.00 741.61 1066.77 990.33 1746.75
1,4-Cyclohexanedicarboxylic acid
4962.57 4646.42 4801.06 4551.58 159.57 112.43 96.33 4893.32
1,4-Cyclohexanedione
3913.56 3681.47 3759.72 3868.49 3605.06 6964.94 2208.11 4341.62
1,5-Pentanediamine
4628.66 4225.12 4733.61 4007.74 1005.81 89.76 170.22 6551.74
1-Methyladenosine
11951.93 12179.58 12306.34 12181.96 10488.12 36.15 7556.44 21636.07
1-Methyl-L-histidine
62805.28 65218.98 64325.48 61808.21 91492.26 124.18 24112.11 96006.73
1-Methylnicotinamide
22224.17 20025.15 18677.56 19170.95 10783.99 621.36 5473.78 33680.87
2,6-Diaminopimelic acid
8938.64 5235.14 7767.49 1263960.14 1753.73 102.42 82.56 4545.31
2-Amino-1-phenylethanol
43481.39 43783.26 44547.04 43840.01 37034.35 189.52 35895.11 61566.50
2-dGMP
355.57 231.62 592.22 633.36 126.16 170.18 131.00 3380.99
2-Hydroxychalcone
168.42 48.53 105.95 190.04 160.53 210.34 78.00 5.61
2-Methylbutyryl-L-carnitine
11694.51 13378.56 21268.94 13567.40 15444.85 199.90 10932.56 35956.00
2-(N-Morpholino)ethanesulfonic acid
751.78 47841.22 34366.21 45547.99 3898.49 35.78 192.33 203423.94
3-(1-Pyrazolyl)-alanine
205.10 203.47 350.13 334.05 1240.07 37.35 194.56 320.02
(3-Carboxypropyl)trimethylammonium
17942.23 13937.57 16013.16 15382.33 19516.32 38.43 18083.78 19751.02
3-Chlorotyrosine
305.63 312.26 322.55 297.03 86.67 10.63 51.78 336.52
3-Hydroxyanthranilic acid
57.91 101.31 82.85 77.35 53.71 33.91 96.50 18.26
3-Hydroxybutyrylcarnitine
3587.41 3578.90 3909.99 3240.21 1979.33 70.12 3634.67 5988.44
3-Indoleacetic acid
239.68 245.07 222.37 232.77 621.45 12.33 381.00 330.64
3-Indoleacetonitrile
9453.43 9327.93 9489.05 9492.80 15651.38 2838.45 18137.00 4701.40
3-Indolepropionic acid
271.41 85.65 128.46 90.66 45.12 10.26 59.00 3.38
3-Methylhistidine
36173.21 38916.21 36765.94 36508.04 142512.38 173.44 43002.78 54562.38
3^-O-Methylguanosine
217.81 224.77 227.11 196.69 95.74 23.91 77.89 338.01
4-Acetylbutyric acid
88.81 82.26 101.42 124.74 129.25 94.05 439.50 12.57
4-Aminobenzoic acid
109586.57 104233.59 88712.89 68026.98 41866.38 216.82 142186.33 79643.75
4-Aminomethylcyclohexanecarboxylic acid
469.52 464.85 481.08 439.04 537.19 104.27 834.89 553.05
4-Guanidinobutyric acid
1211.16 1295.93 1307.08 1306.86 2949.01 599.70 2824.44 1191.67
4-Hydroxyquinoline
707.01 667.75 664.52 656.55 757.92 488.10 531.00 1843.76
4-Imidazoleacrylic acid
19285.45 25303.41 18847.82 16856.47 27919.88 11434.87 24895.56 18739.92
4-Methylumbelliferone
962.89 1019.99 943.55 990.73 915.63 932.38 742.00 928.63
4-Pyridoxic acid
58.13 50.11 20.72 21.49 142.57 8.98 14.11 1.98
4-Trimethylammoniobutanoic acid
1727.88 1368.96 1548.61 1493.60 1833.31 1020.42 1692.22 1847.93
5,6-Dihydrouracil
128.99 135.91 142.85 122.84 118.17 21.69 71.00 116.71
5-Aminosalicylic acid
58.94 128.02 47.40 50.33 40.50 29.91 34.14 35.36
5-Aminovaleric acid
12520.40 14995.59 16621.37 16004.78 164026.65 980.32 91968.44 14946.69
5-Fluro-2-pyrimidone
33.59 36.10 34.64 32.88 39.32 26.09 30.33 13.80
5-Hydroxytryptophan
228.51 197.31 209.17 206.26 128.10 39.56 154.67 376.04
5^-Methylthioadenosine
343.90 355.31 302.31 377.61 74.37 29.91 584.89 452.52
6-Hydroxycaproic acid
1681.98 1592.97 1588.82 1596.32 898.23 1461.56 1376.33 1854.48
8-Oxo-2-deoxyadenosine
74.56 92.39 134.55 130.05 72.03 75.55 69.57 84.77
Abietic acid
824.31 784.81 811.57 775.22 751.33 692.37 936.11 961.48
Abscisic acid
256.86 247.37 227.04 243.16 266.85 173.61 183.44 290.92
Acetaminophen
3056.57 523.10 2680.69 2357.20 373.85 41.81 3730.89 4765.13
Acetaminophen glucuronide
55.18 28.03 65.76 72.71 6.69 14.43 61.67 70.40
Acetylcarnitine
738916.47 794529.44 773642.51 719450.02 769413.50 470.38 1092163.78 1022989.92
Adrenosterone
1847.08 1873.22 1890.04 1761.45 1176.20 1451.02 1390.67 1133.10
Agmatine
40.77 38.66 51.39 45.22 49.08 53.77 42.56 18.83
Ala-Ala
334.60 324.78 353.69 326.96 1672.77 176.50 223.78 400.37
Ala-Ile
6246.80 3637.97 4652.62 4654.64 1210.62 64.10 1085.56 8042.32
Alanine
24797.74 24766.29 25480.25 24746.42 20053.26 106.87 16901.00 38088.30
alpha-Galactosamine-1-phosphate
504.20 477.76 522.79 481.98 222.65 14.45 123.00 738.49
alpha-Methylene-gamma-butyrolactone
896.76 803.10 838.63 858.95 810.67 744.29 839.22 997.86
Anastrozole
830.32 1127.13 1155.81 1184.27 263.57 1013.69 - 1.00
Androstane-3,17-diol
603.78 861.84 658.11 501.72 441.07 373.43 798.44 267.94
Androstenedione
678.33 630.69 660.94 598.88 514.49 1657.02 1117.78 321.79
Androsterone
40.94 40.32 45.03 41.87 38.72 32.78 29.60 21.69
Anserine
332.59 298.20 293.99 346.54 746.00 65.15 81.00 468.15
Antipyrine
218.31 193.21 29755.51 226.87 229.82 187.79 253.33 562.75
Arachidonyl dopamine
408.94 516.08 481.28 504.93 421.05 335.18 498.00 387.11
Arginine
68391.39 69122.68 71050.42 69757.14 220110.32 1863.96 205033.44 25296.14
Asparagine
34510.57 35714.60 34476.03 34594.07 20813.42 15193.50 23038.22 41154.60
Aspartic acid
1938.45 2212.93 2126.19 1968.02 2258.70 31.13 865.11 4952.15
Asp-phe
103.19 75.90 105.95 57.78 54.21 25.62 1.00 118.38
Atomexetine
674.86 829.20 710.83 703.48 669.48 677.21 684.89 909.93
Azasetron
41.79 42.35 142.03 52.14 65.20 41.02 29.71 108.96
Benproperine
154.61 148.68 144.15 146.95 140.84 129.77 122.78 112.54
Benzothiazole
82.57 83.00 88.00 87.22 74.46 51.55 62.44 83.21
Benzphetamine
774.28 826.51 743.71 760.88 788.10 597.49 1006.22 1020.50
Benzyldimethyltetradecylammonium cation
17522.44 13613.94 14521.35 18068.89 17214.29 24023.48 108740.22 13535.67
Betaine
1428064.67 1465257.37 1441876.14 1480847.25 2697174.64 21499.98 2791111.67 2050223.70
Biliverdin
906.51 877.99 787.25 774.26 821.94 9.29 438.89 818.81
Binospirone
267.10 412.23 304.40 359.74 62.79 87.42 234.78 361.14
Caffeine
31574.52 30325.98 27837.12 26443.07 17440.96 90.00 19532.56 41257.36
Capsaicin
767.01 646.97 654.46 635.39 686.18 580.89 300.11 401.18
Carnitine
400499.11 390329.37 401716.33 380173.80 617328.31 6976.13 694062.00 387991.10
Carnosine
2201.17 2179.16 2352.52 2136.66 1122.25 105.50 178.89 6277.14
Cetraxate
163.03 200.20 167.23 180.49 104.06 95.13 69.88 178.23
Choline
2981809.56 2909367.30 2869407.62 2871000.65 1637972.14 19409.26 2038874.78 4438149.32
Cinanserin
88.16 90.88 92.34 93.70 113.21 87.51 89.44 77.82
Citrulline
59612.83 61158.39 61349.03 60539.83 109900.01 358.00 54620.00 58463.73
Clomipramine
477.26 489.82 469.95 496.90 544.39 212.64 240.22 987.62
Coniferylaldehyde
8.51 6.66 6.85 13.89 14.43 19.29 1.00 1.03
Cortisone
162.94 190.99 174.32 179.44 36.96 199.35 383.11 20.89
Cotinine
13739.68 10167.54 15408.31 8865.73 59218.79 1045.11 119726.78 9274.62
Creatine
761419.17 732035.20 759698.19 736251.35 568467.37 1608.79 511212.78 1087298.18
Creatinine
522015.09 518475.13 532191.93 529057.16 775684.86 271.21 588179.11 619175.99
Cyclohexanamine
493.61 590.55 636.49 491.55 351.02 286.96 396.89 653.20
Cyclo(Leu-Pro)
567.90 587.18 587.48 548.29 725.36 287.96 785.78 726.05
Cystine
640.53 696.41 714.73 685.11 605.60 28.05 611.67 594.45
Dehydrocholic acid
744.67 650.67 595.24 634.83 562.23 520.06 859.67 829.64
DMSO
7225.00 6691.95 7696.35 7378.11 4352.20 707.86 3777.78 5946.30
Doxapram
429.15 400.49 415.68 422.48 580.69 262.00 451.22 404.88
Ecgonine
129.21 142.35 106.44 116.52 2995.65 9.24 6435.78 56.69
Ergothioneine
1200.02 1473.24 1076.66 1387.29 2248.41 4.39 344.56 1717.76
Erucamide
91278.38 79972.59 84962.89 59752.38 98413.51 158287.27 50983.44 84730.00
Ethanolamine
1046.55 1084.37 1048.55 1043.68 446.80 29.61 417.67 1563.56
Famciclovir
3.78 33.90 5.40 5.10 7.24 13.26 1.00 1.58
Fenfluramine B
382.88 385.90 379.50 382.80 339.31 329.23 316.33 391.02
Galactosamine
802.87 739.98 769.58 831.12 1230.07 17.73 1201.89 286.68
gamma-Glutamylleucine
750.83 715.05 741.71 744.63 932.35 121.80 930.33 884.17
gamma-Glutamyltyrosine
57.31 53.17 58.28 48.43 37.36 30.20 38.00 47.37
Geranic acid
3383.57 3787.96 3398.82 3392.14 1577.13 2730.57 3429.78 3949.70
Glutamic acid
91103.20 79330.55 85616.50 78113.01 114101.90 2486.95 30097.78 165368.98
Glutamine
327460.46 347841.37 329042.48 348955.85 227133.14 765.82 366692.78 349294.87
Glutathione (oxidized)
68.15 15.35 9.70 12.86 9.50 5.45 2.78 2.25
Glutathione (reduced)
1783.15 157.48 227.10 444.94 77.70 30.64 18.00 70.06
Glu-Thr
249.00 207.54 234.48 185.07 1378.33 32.77 33.50 400.83
Glycerophosphocholine
1177953.52 1273120.51 1413560.46 1142025.63 2009297.71 8821.96 221497.67 925739.68
Glycine
3123.36 3140.61 3175.97 3050.14 4299.05 96.10 3366.78 4953.43
Glycyl-leucine
534.34 436.08 490.04 444.57 766.01 165.07 1003.89 526.90
Glycyltyrosine
3.06 3.45 25.93 147.49 2.01 2.17 2.00 1.65
Gly-Gly-Gly
157.85 187.94 180.18 151.41 1067.04 30.77 20.56 135.27
Gly-val
351.26 325.56 345.74 307.58 773.54 175.87 237.44 423.18
Guanine
65.54 86.27 99.80 61.65 64.75 53.24 38.22 125.38
H-gamma-glutamyl-glutamine
1977.20 2026.53 1875.02 2229.08 1156.01 26.68 738.22 2205.86
Histamine
1306.86 973.70 1091.16 990.49 436.79 258.32 555.22 2035.14
Histidine
251120.98 267670.45 248721.94 252865.22 178448.29 2119.24 141561.33 323781.99
HMBA
3215.91 3538.80 3173.23 3168.70 1491.05 3185.30 4304.44 3309.92
Homoarginine
21038.18 21006.71 19348.48 20375.97 6630.38 216.70 7723.78 30964.13
Homoserine
2181.85 2256.77 2256.31 2204.06 1314.15 124.37 878.78 3510.98
Hypoxanthine
92185.44 92623.03 90654.04 65458.12 8775.60 452.01 10653.44 235088.18
Indarubicin
1345.95 2482.29 1011.14 1131.98 2082.20 2871.42 1627.56 763.14
Indole-3-carboxaldehyde
578.28 590.15 582.89 590.17 252.74 377.79 466.67 665.85
Inosine-5^-monophosphate
409.08 43.29 229.49 95.17 8.85 12.00 11.44 373.57
Irbesartan
394.32 431.89 409.55 419.96 438.89 90.50 256.67 231.51
Isoleucine
91962.32 95152.87 94295.37 90950.27 101558.73 533.95 97854.89 106706.96
Isoxanthopterin
21.13 24.23 26.19 33.76 11.24 22.75 36.00 12.70
Kynurenic acid
522.66 473.80 458.27 460.70 116.69 16.49 64.89 980.50
Kynurenine
11428.31 10775.38 10576.67 10375.85 11490.02 19.77 6227.33 20529.24
Latanoprost
199.13 185.63 215.47 223.32 184.99 202.46 123.89 107.94
lenticin
53271.65 38871.30 35990.07 34315.52 50243.36 13.54 72375.44 47176.63
Linalool
388.76 399.73 386.09 373.25 353.89 362.30 315.00 344.61
Linoleoylcarnitine
1046.10 1204.53 1226.64 1298.35 621.49 73.35 708.00 2164.32
Lobeline A
1.00 1.00 1.65 15.41 1.00 1.00 1.00 1.00
Lobeline B
3.79 30.99 15.59 26.15 5.15 3.00 3.00 3.00
Lysine
154154.33 153842.44 150366.96 152081.74 130240.39 2004.74 121579.44 246349.98
Maltose
22.69 25.88 36.73 33.67 27.65 35.67 30.40 24.64
Meprobamate
4968.09 4984.63 5138.40 4833.43 2102.85 699.76 3474.78 7581.52
Methionine
22546.72 22258.88 23036.23 22078.31 24903.48 45.39 20130.11 31068.99
Methioninesulfoxide A
3429.63 2808.45 3133.29 3331.93 3138.20 38.00 2689.89 3884.43
Methylpropionic acid
7897.12 7768.13 8147.27 7966.34 7443.00 4589.00 8495.78 10472.04
Methyltestosterone
596.42 520.58 601.18 574.50 864.65 640.21 804.78 520.62
Methyprylon
811.82 884.63 802.41 791.75 646.30 733.37 1192.67 768.55
Modafinil
25.09 73.17 359.26 219.78 244.51 47.38 75.00 273.79
Mosapride
21.25 14.61 18.67 26.24 25.80 4.99 13.56 4.31
N6-Isopentenyladenosine
26.07 52.11 57.00 73.70 55.80 6.15 1.00 7.15
N8-Acetylspermidine
7701.82 7627.27 7112.41 6891.71 5572.92 58.74 6804.22 15104.17
N-Acetylhistidine
2880.34 3037.55 2955.50 2969.76 1890.26 88.96 811.89 8655.75
N-Acetylneuraminic acid
194.14 191.69 225.54 227.39 81.25 27.96 1.00 415.05
Naftopidil
27.01 86.48 85.69 80.05 311.93 48.06 63.89 159.52
N-alpha-methylhistamine
287.35 265.48 306.16 255.93 72.71 21.13 150.78 736.80
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine
19225.06 20413.19 19287.35 19492.55 15205.14 1411.17 11846.56 25738.80
Nateglinide
1418.43 1409.09 1266.40 1344.62 1278.99 974.01 1008.11 1210.57
N-Cyclohexylformamide
402.26 406.75 425.69 394.94 446.25 430.02 450.78 411.85
NE,NE,NE-TRIMETHYLLYSINE
44432.49 38202.86 42031.63 41253.92 54469.90 166.60 43581.44 62206.13
N-epsilon-Acetyllysine
3239.35 3283.45 3226.76 3189.11 2724.36 220.19 2468.22 4156.17
Nicotinamide
15808.36 8781.67 10509.48 10895.52 4201.67 57.61 1609.33 47528.85
Nicotine
2249.09 4824.74 2462.42 2620.68 3044.40 1569.83 3529.67 1714.33
Nitrazepam
261.00 248.45 254.97 252.63 240.68 209.18 186.44 194.10
N-Methylanthranilic acid
48.88 27.39 64.52 32.39 290.73 6.11 2.00 1.68
N-Methylhistidine
1675.77 1631.62 1593.95 1596.75 2489.77 107.45 2326.33 2243.73
N-Methylisoleucine
305.36 311.61 293.03 278.00 430.79 73.90 780.33 417.13
N-Methyllysine
481.65 575.73 425.44 465.34 280.31 2.56 208.22 598.64
N-Methylphenylalanine
215.96 218.67 214.15 238.20 201.28 29.37 36.22 331.44
N-Methylproline
7735.67 8020.64 8026.20 8126.66 11195.67 269.79 11701.56 7713.56
N-Methylvaline
49113.68 53242.25 52335.16 52354.22 152805.79 766.49 149391.89 42958.07
N,N-Dimethylarginine
34749.14 33380.21 33246.02 33102.41 46240.45 141.33 18601.22 63991.67
N-omega-Acetylhistamine
859.11 860.52 867.14 875.79 1780.60 737.04 1838.67 904.12
Octadecanedioic acid
1163.77 1075.61 1173.12 1157.49 2920.23 121.44 1932.33 344.39
o-Phosphocolamine
98.19 111.90 100.12 99.76 533.95 22.73 22.78 168.15
Ornithine
29013.99 30177.92 27880.16 28878.96 43754.19 1048.94 37595.56 67682.14
Oxazepam
27.02 19.37 14.06 9.44 9.61 9.05 10.44 3.19
Parecoxib
5230.04 5228.92 5200.09 5173.83 4607.14 5588.98 5361.33 5881.18
Penciclovir
996.23 3648.28 2080.80 2438.81 104.76 34.10 283.25 206712.81
Phendimetrazine A
451.31 444.18 455.01 448.01 411.75 361.04 476.11 399.44
Phenylacetylglutamine
405.07 632.65 426.13 405.97 380.22 48.78 347.00 416.12
Phenylalanine
231747.52 235209.80 236382.87 234895.96 193821.10 403.55 188520.33 321739.11
Phlorobenzophenone
11204.44 686.95 701.50 3591.60 136.15 6.67 1.00 151.57
Phthalic acid
142.42 139.62 138.94 121.29 135007.24 45.56 251.56 130.71
Pinacidil
1018.12 1119.32 1046.93 1037.97 529.27 749.04 1078.44 1138.82
Pipecolic acid
974.17 890.67 928.96 941.50 790.23 342.56 795.00 1065.83
Piperine
2160.62 3474.64 2483.15 2794.26 4542.31 3.10 4084.11 1552.27
Proline
36730.41 36581.71 37271.01 36497.03 36666.68 641.82 33347.44 47132.46
Proline-hydroxyproline
3513.18 3450.56 3563.38 3521.13 5169.33 82.43 1847.11 7622.74
Propionylcarnitine
42012.94 45715.86 43917.15 39436.98 42481.64 183.55 41545.44 60022.27
Pyroglutamic acid
16448.30 15137.18 15754.47 14948.43 18941.55 360.45 9964.56 27759.56
Quinolone
887.15 1200.81 848.54 866.79 1852.17 504.25 1156.33 598.02
Ranitidine
833.39 877.21 243.55 1834.66 185.93 22.00 140.78 1713.51
(R)-Butyrylcarnitine
3457.51 3177.64 3961.69 3673.00 15240.42 173.02 10084.67 3934.27
Retinoic acid
123.04 77.53 87.80 103.71 201.00 126.81 210.67 11.31
Rutin
40.08 25.22 157.99 103.50 24.33 22.68 16.50 1649.76
S-Adenosyl-homocysteine
68.39 54.87 69.06 67.31 187.95 24.79 383.75 29.42
Scopoletin
45.97 106.38 46.95 52.79 44.41 34.84 54.00 2.83
Serine
15962.03 16255.95 16106.21 16034.11 12444.96 194.21 11077.00 26019.81
Spermine
491.55 313.62 389.53 378.99 336.93 318.23 15.44 75.62
Stachydrine
1283844.76 1532978.36 1371454.70 1361882.29 1735379.25 1492.83 843113.33 1761738.89
Taurine
2882.18 3028.45 2899.47 2746.23 710.90 203.29 696.33 4313.99
Taurocholic acid
374.16 329.71 386.13 379.80 15623.16 17.98 26.78 753.42
Temazepam
11.07 12.80 48.57 10.02 14.73 9.12 3.11 2.21
Terbinafine
535.71 510.54 696.96 700.30 251.93 507.87 366.78 30.47
Testosterone
314.28 187.69 255.54 293.26 3974.04 565.74 1801.44 608.05
Tetradecylamine
106048.16 106329.89 100915.21 100544.57 78117.01 77630.18 108902.67 103686.55
Thiazolidine-4-carboxylic acid
170.52 161.96 164.98 168.64 101.70 13.98 45.22 237.65
Threonine
80628.50 87188.68 81351.39 82933.23 51096.19 462.36 38464.56 120859.26
TMAO
62371.90 63589.25 64811.08 68238.59 84981.43 144.67 90711.22 64428.39
Tridodecylmethylammonium cation
11443.89 8578.23 10999.24 9850.77 14895.40 29474.87 42810.78 17433.01
Tripelennamine
13188.13 14884.59 13901.59 14283.48 33254.74 16908.94 23127.44 34508.43
Tryptophan
353551.74 367578.79 347642.98 351189.32 308030.07 38.27 279299.44 405054.24
Tyrosine
6978.45 9314.27 7939.82 8411.95 5198.96 74.76 3405.56 10420.13

Factors:

F1Sex:Female | Diagnosis:CASE
F2Sex:Female | Diagnosis:CONTROL
F3Sex:Male | Diagnosis:CASE
F4Sex:Male | Diagnosis:CONTROL
F5Sex:QC1 | Diagnosis:QC1
F6Sex:QC2 | Diagnosis:QC2
F7Sex:QC3 | Diagnosis:QC3
F8Sex:QC4 | Diagnosis:QC4
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