Data for ST002535
Metabolite structure | All data | F1 | F2 | F3 | F4 |
---|---|---|---|---|---|
12-Hydroxydodecanoic acid | 86203.44 | 46607.60 | 90766.37 | 66067.53 | |
1,3-Dimethyluric acid | 559725.11 | 583876.20 | 1272582.00 | 960777.25 | |
1,5-Anhydrosorbitol | 114799.88 | 139897.49 | 207465.08 | 185948.11 | |
2,6-Dihydroxybenzoic acid | 354437.12 | 398373.87 | 803324.24 | 335983.61 | |
2-Hydroxyethanesulfonate | 529088.60 | 462398.09 | 663525.82 | 457966.30 | |
2-Ketobutyric acid | 171155.20 | 289857.08 | 341240.73 | 152105.67 | |
2-Methylbutyrate | 57578.50 | 85021.50 | 48360.27 | 57626.00 | |
2-Methylbutyrate- 6C13 NPH (ISTD) | 92425.20 | 86705.42 | 84069.91 | 82629.25 | |
2-Methylcitric acid | 82860.80 | 96111.08 | 125758.27 | 108195.25 | |
2-Pyrocatechuic acid | 88965.59 | 99532.07 | 172010.57 | 61866.70 | |
3,7-Dimethyluric acid | 2575002.56 | 3174793.00 | 8131679.00 | 5717356.00 | |
3-Aminoisobutanoic acid | 14218413.67 | 19616395.67 | 14348479.17 | 23860294.21 | |
3b-Hydroxy-5-cholenoic acid | 259624.88 | 352337.26 | 135811.93 | 411422.36 | |
3-Methyladipic acid | 1388391.84 | 589875.76 | 1501902.12 | 1714348.57 | |
3-Methylhistidine | 40918.78 | 55246.00 | 55975.40 | 37858.45 | |
3-Methylxanthine | 7416053.86 | 3944349.71 | 13442544.35 | 7475634.62 | |
3-Oxocholic acid | 28972638.47 | 26710732.44 | 24062687.60 | 50741049.91 | |
3-Phosphoglyceric acid | 14255.78 | 17309.12 | 32692.20 | 33966.44 | |
4-Hydroxycinnamic acid | 145789.67 | 161724.36 | 157867.36 | 81644.92 | |
5-Aminopentanoic acid | 69119.10 | 42875.33 | 194815.64 | 39064.58 | |
7a-Hydroxy-3-oxo-5b-cholanoic acid | 2805.24 | 91329.06 | 285659.12 | 143619.12 | |
7-Methylguanine | 506585.88 | 541476.31 | 461985.88 | 377480.53 | |
9-Methyluric acid | 1067776.67 | 722287.88 | 2391743.62 | 3446882.86 | |
Acetate | 94046.60 | 116502.17 | 125374.00 | 80098.33 | |
ACETATE - 6C13NPH (ISTD) | 19462.90 | 21194.75 | 20694.27 | 19179.08 | |
Adenine | 1063991.62 | 1031628.76 | 1491078.05 | 872179.32 | |
Adenosine | 445717.45 | 355318.90 | 483563.41 | 521552.08 | |
Alanylglycine | 514590.30 | 602523.36 | 679196.09 | 453952.83 | |
Allocholic acid | 17893434.50 | 3156355.85 | 49062418.65 | 8557189.60 | |
Alpha-Linolenic acid | 3580249.87 | 2367337.07 | 8349603.17 | 1559137.54 | |
Arachidic acid | 11175845.75 | 11860728.86 | 6709747.64 | 10191308.43 | |
Azelaic acid | 714340.55 | 896760.65 | 558778.20 | 1401433.38 | |
Behenic acid | 3361863.30 | 2235737.92 | 2196595.45 | 3944202.67 | |
Beta-Alanine | 123315.90 | 208992.88 | 130269.67 | 114297.88 | |
Beta-Glycerophosphoric acid | 16720.33 | 78423.50 | 17400.57 | 25829.83 | |
Betaine | 173561.98 | 251950.65 | 266468.11 | 156441.51 | |
Beta-Leucine | 9484626.90 | 14126078.08 | 11719859.55 | 8313509.08 | |
Butyrate | 470490.90 | 612592.08 | 500514.00 | 378065.33 | |
Butyrate 6C13 NPH (ISTD) | 229693.40 | 213486.75 | 217303.91 | 211944.17 | |
Butyric acid | 33302164.01 | 48295219.96 | 54319595.18 | 31710958.74 | |
Capric acid | 2135048.22 | 2566151.02 | 1773115.16 | 1796028.99 | |
Caproate | 9478.20 | 15400.00 | 4800.36 | 9490.17 | |
Caproate_6C13 NPH (ISTD) | 122469.40 | 114522.58 | 116134.36 | 115168.25 | |
Caproic acid | 1578668.27 | 2080790.96 | 1099108.52 | 1480821.32 | |
Caprylic acid | 1138330.79 | 1894600.05 | 827676.78 | 763794.58 | |
Cholic acid | 20453430.29 | 4435375.61 | 61467884.14 | 10653779.76 | |
cis-Aconitic acid | 848849.50 | 1204689.00 | 1698404.09 | 1120613.58 | |
Citric acid | 56763685.10 | 70603888.42 | 87574246.55 | 71568870.67 | |
Citrulline | 278131.67 | 490179.55 | 326993.64 | 124358.58 | |
Cortisone | 1890718.29 | 2642718.27 | 1277135.68 | 3277875.47 | |
Creatinine | 506406.24 | 314802.84 | 836415.92 | 766669.52 | |
Cytidine | 54942.35 | 64037.88 | 69916.23 | 58494.69 | |
Cytidine monophosphate | 2587944.24 | 2329425.34 | 2381631.31 | 2373228.30 | |
D-2-Hydroxyglutaric acid | 171006.50 | 292577.08 | 336626.18 | 155319.17 | |
D-Alanine | 122367.22 | 256242.40 | 151453.00 | 146544.67 | |
D-Alpha-aminobutyric acid | 90750.90 | 101673.09 | 176844.01 | 63015.22 | |
D-Aspartic acid | 985174.78 | 1606501.36 | 859066.00 | 950677.60 | |
Deoxycholic acid | 190537375.88 | 149739481.10 | 295290892.77 | 153510485.93 | |
Deoxycholic acid glycine conjugate | 16785663.90 | 2201620.50 | 38614805.73 | 26576198.33 | |
Deoxyuridine | 307525.91 | 467492.15 | 345152.36 | 229233.16 | |
D-Fructose | 653275.00 | 652339.50 | 1066464.45 | 566235.50 | |
D-Glucuronic acid | 384846.35 | 257739.81 | 636008.84 | 832391.52 | |
D-Glutamic acid | 251540.86 | 446508.34 | 346247.94 | 227699.21 | |
Dihydroxyacetone | 383143.58 | 383426.16 | 1281763.68 | 307543.75 | |
D-Lactic acid | 370487.30 | 381972.33 | 1274874.82 | 282889.25 | |
D-Lysine | 665537.11 | 819299.36 | 2002666.36 | 419122.25 | |
Dodecanoic acid | 22834326.75 | 27432645.26 | 11895495.54 | 22888757.78 | |
D-Ribose | 360254.33 | 309378.08 | 505236.09 | 292386.08 | |
D-Ribose 5-phosphate | 3378837.60 | 2987022.00 | 3197830.18 | 3234404.83 | |
D-Ribulose 5-phosphate | 3434641.80 | 2800821.83 | 3165222.64 | 3214419.50 | |
D-threo-Isocitric acid | 56880733.30 | 70754772.08 | 87689143.00 | 71733055.08 | |
D-Xylitol | 34163.53 | 19841.75 | 57401.02 | 16752.61 | |
Elaidic acid | 228154730.24 | 220700396.79 | 208329334.94 | 203486454.32 | |
Erucic acid | 1913609.87 | 2024869.54 | 1670485.28 | 2688024.91 | |
Estradiol | 790861.64 | 822904.73 | 773341.10 | 674163.06 | |
Fumaric acid | 39986.60 | 72259.92 | 48506.55 | 33862.33 | |
Furosemide | 28187805.83 | 38539596.56 | 34639351.09 | 23876756.67 | |
Galacturonic acid | 340143.20 | 251328.75 | 629228.27 | 838146.83 | |
Glucose 6-phosphate | 23611.44 | 24329.30 | 45824.75 | 25962.75 | |
Glyceraldehyde | 393286.90 | 397588.43 | 1297243.10 | 316042.89 | |
Glycerol | 163757.77 | 100968.38 | 128201.35 | 105699.13 | |
Glycerol 3-phosphate | 17227.22 | 77789.83 | 16122.86 | 25829.83 | |
Glycine | 498.80 | 35779.11 | 12242.74 | 7371.64 | |
Glycyrrhetinic acid | 2022436.26 | 2639990.93 | 1941938.42 | 1871091.61 | |
Guanine | 83328.36 | 96949.28 | 120529.98 | 53944.21 | |
Guanosine | 195863.46 | 185208.21 | 330356.51 | 112576.66 | |
Heneicosanoic acid | 464336.22 | 346365.39 | 255265.15 | 435245.21 | |
Heptadecanoic acid | 31112701.01 | 32387785.46 | 15568318.18 | 32665401.37 | |
Heptanoic | 3037.70 | 5772.42 | 1066.18 | 2343.83 | |
Heptanoic_6C13 NPH (ISTD) | 102595.90 | 97181.25 | 97720.91 | 97235.50 | |
Hesperidin | 645890.22 | 2983.00 | 3721819.33 | 2560489.50 | |
Hyodeoxycholic acid | 183234135.87 | 144854163.35 | 275379067.78 | 146479454.69 | |
Hypoxanthine | 742715.67 | 939236.60 | 1046733.36 | 568182.43 | |
Indoleacetic acid | 232273.11 | 405591.78 | 648327.78 | 221884.60 | |
Inosine | 492181.64 | 471832.13 | 924981.90 | 342006.08 | |
Isobutyrate | 475490.60 | 617007.75 | 505746.09 | 382347.33 | |
Isobutyrate-6C13 NPH (ISTD) | 245551.30 | 227021.92 | 228925.00 | 224508.17 | |
Isocaproate (4-MVA) ISTD | 17468.90 | 16598.00 | 19314.82 | 16543.58 | |
Isocitric acid | 56882160.60 | 70740688.00 | 87708572.27 | 71722186.83 | |
Isovalerate(3-MBA) | 113180.60 | 163254.33 | 86735.73 | 104723.50 | |
Isovalerate(3-MBA)-6C13 NPH (ISTD) | 197787.40 | 178983.00 | 183363.18 | 177514.67 | |
ISTD_13C5,15N1-Valine | 672193.30 | 637500.75 | 699578.27 | 728506.92 | |
ISTD_13C6-Leucine | 1393431.00 | 1273671.75 | 1509496.27 | 1450666.00 | |
ISTD_13C6-Sorbitol | 15478.00 | 16917.42 | 20268.36 | 15217.67 | |
Itaconic acid | 42771.80 | 64429.90 | 92079.62 | 44762.80 | |
L-Alanine | 118659.00 | 203239.17 | 123944.55 | 103112.75 | |
L-Alloisoleucine | 9539491.10 | 14128898.33 | 11697893.00 | 8309629.25 | |
L-Arabitol | 34571.22 | 20126.68 | 59196.91 | 16854.80 | |
L-Arginine | 1071359.67 | 1138133.00 | 1316352.00 | 749612.00 | |
L-Asparagine | 32345.33 | 35358.18 | 38601.11 | 67248.80 | |
L-Aspartic acid | 985174.78 | 1472691.25 | 859423.55 | 794237.33 | |
L-Cystine | 19345.78 | 61624.00 | 43652.88 | 29172.67 | |
L-Glutamic acid | 250453.32 | 488945.97 | 386903.73 | 231928.94 | |
Linoleic acid | 58771948.43 | 53928918.89 | 87200580.78 | 36662613.03 | |
L-Isoleucine | 9582522.30 | 14046725.58 | 11527558.18 | 8309495.00 | |
Lithocholic acid | 81360244.25 | 132705399.72 | 83669557.13 | 87025091.80 | |
L-Leucine | 25515416.83 | 33516243.95 | 32223547.73 | 23576277.96 | |
L-Lysine | 665537.11 | 752529.75 | 2008086.27 | 417295.33 | |
L-Malic acid | 274258.80 | 492129.83 | 379839.91 | 246583.92 | |
L-Methionine | 4238262.56 | 4697011.09 | 4630413.82 | 3696484.08 | |
L-Norleucine | 25607059.28 | 33642739.54 | 32354046.53 | 23649539.83 | |
L-Phenylalanine | 22926373.86 | 31734725.16 | 29165830.36 | 16418007.48 | |
L-Proline | 1057872.27 | 1434855.60 | 1267710.28 | 647684.27 | |
L-Serine | 985158.20 | 1537347.67 | 1090846.91 | 1161169.33 | |
L-Tryptophan | 3591939.00 | 4082382.08 | 4850609.55 | 2384235.00 | |
L-Tyrosine | 8175284.80 | 9476686.67 | 9872566.45 | 5568186.33 | |
L-Valine | 6450767.50 | 8631060.58 | 7691298.09 | 5940925.92 | |
Malic acid | 274258.80 | 492129.83 | 379839.91 | 246583.92 | |
Malonic acid | 50797.30 | 105840.24 | 100535.37 | 38733.84 | |
Mannitol | 872809.50 | 956332.58 | 1010527.91 | 609292.92 | |
Methionine sulfoxide | 153528.26 | 455823.57 | 205168.89 | 137579.42 | |
Methylmalonic acid | 3119831.90 | 3183337.08 | 6374577.45 | 4209183.42 | |
myo-Inositol | 106674.83 | 19535.44 | 603547.64 | 15671.57 | |
Myristic acid | 50916895.25 | 49877450.44 | 41061048.99 | 46812619.48 | |
N-Acetylglutamic acid | 1561083.89 | 4477249.83 | 2421115.64 | 2742903.92 | |
N-Acetylhistamine | 145454.22 | 73761.20 | 709369.38 | 491697.00 | |
N-Acetylneuraminic acid | 39351.80 | 53582.67 | 143175.18 | 20407.00 | |
Nicotinic acid | 521066.67 | 704005.58 | 1282047.36 | 396244.45 | |
Nonadecanoic acid | 228116698.54 | 187574599.20 | 202199986.01 | 182124209.17 | |
Nutriacholic acid | 30230530.42 | 28165365.60 | 25544979.37 | 53254084.04 | |
o-Cresol | 2969026.30 | 3812134.08 | 2135018.55 | 3363354.67 | |
Octadecanedioic acid | 2822568.72 | 3852208.22 | 3508346.31 | 4184316.51 | |
Oleic acid | 228185401.13 | 220736049.11 | 208386640.49 | 203530671.49 | |
Ornithine | 198947.67 | 320608.58 | 239612.00 | 87664.92 | |
Orotic acid | 335718.20 | 615925.25 | 479004.91 | 125979.50 | |
Oxalacetic acid | 57682.40 | 80487.42 | 114819.00 | 77224.17 | |
Oxalic acid | 31954.10 | 50160.42 | 57198.09 | 39090.91 | |
Oxoglutaric acid | 33910.11 | 64835.45 | 26678.09 | 20295.58 | |
Palmitic acid | 376117258.65 | 338881290.99 | 266419347.31 | 341620489.65 | |
PC(14:0/14:0) | 382280.67 | 287756.75 | 239406.36 | 399204.50 | |
PE(14:0/14:0) | 1490737.40 | 897272.37 | 1880847.45 | 773203.36 | |
Pelargonic acid | 1775780.65 | 2876258.10 | 3884527.71 | 3654804.05 | |
Pentadecanoic acid | 55958802.88 | 61298770.18 | 30653201.16 | 56851404.10 | |
Phosphoric acid | 7780232.30 | 11892497.08 | 8197256.40 | 9100712.25 | |
Phthalic acid | 55425.50 | 601004.09 | 45977.22 | 34461.27 | |
p-Hydroxyphenylacetic acid | 459899.78 | 262373.95 | 1220320.09 | 503762.59 | |
Phytanic acid | 11266593.67 | 11965439.83 | 6782299.39 | 10296582.56 | |
Pimelic acid | 248888.67 | 321860.76 | 130507.96 | 374773.37 | |
Propionate | 303097.70 | 349566.25 | 415125.64 | 199483.58 | |
Propionate 6C13NPH (ISTD) | 66831.70 | 63548.50 | 63803.73 | 62051.67 | |
Pyridoxine | 368309.87 | 387530.61 | 215778.26 | 232470.06 | |
Pyrrolidonecarboxylic acid | 4106110.60 | 6908763.00 | 3820303.82 | 3137473.58 | |
Pyruvic acid | 274258.80 | 492129.83 | 379839.91 | 246583.92 | |
Ribitol | 34702.97 | 20177.10 | 59270.24 | 16920.38 | |
(R)-lipoic acid | 224057.78 | 70581.75 | 308077.09 | 85163.20 | |
Serotonin | 19384.43 | 33605.57 | 32233.31 | 9257.28 | |
Sorbitol | 125142.81 | 21211.82 | 102676.07 | 187216.98 | |
Stearic acid | 293803209.37 | 257617434.99 | 146885656.55 | 261722216.01 | |
Succinic acid | 3119831.90 | 3188315.00 | 6380962.36 | 4198966.83 | |
Sulfolithocholic acid | 12380803.78 | 11302883.33 | 51718936.00 | 23177650.00 | |
Taurine | 346608.07 | 466827.25 | 846831.81 | 224508.90 | |
Taurocholic acid | 3353755.33 | 2307072.24 | 3423129.69 | 6111812.52 | |
Taurodeoxycholic acid | 6478967.56 | 2157878.00 | 9376532.00 | 71137869.33 | |
Tauroursodeoxycholic acid | 6486046.00 | 2135169.67 | 9430860.00 | 71565829.00 | |
Undecanoic acid | 345017.12 | 698909.62 | 218614.76 | 240298.83 | |
Ureidopropionic acid | 148805.22 | 163510.50 | 180036.91 | 130575.90 | |
Uric acid | 97911.89 | 127741.88 | 175577.25 | 190165.88 | |
Uridine | 755266.63 | 811293.80 | 1363339.38 | 494946.78 | |
Urocanic acid | 793370.20 | 2174457.12 | 451773.62 | 666651.17 | |
Ursodeoxycholic acid | 189177429.28 | 149016133.29 | 291464954.30 | 152322116.71 | |
Vaccenic acid | 228220498.57 | 220763416.29 | 208423376.78 | 203557040.27 | |
Valerate | 77043.70 | 117726.50 | 76732.00 | 66105.67 | |
Valerate-6C13 NPH (ISTD) | 134496.90 | 127572.83 | 126282.18 | 127232.75 | |
Xanthine | 6037665.80 | 7987411.83 | 5567021.00 | 2407833.83 |
Factors:
F1 | CI_group:- |
F2 | CI_group:2 |
F3 | CI_group:3 |
F4 | CI_group:4 |