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  鉴定代谢物汇总表:MSMSfinal_DEM.xlsx
MSMSfinal_DEM.xlsx 里面包含每个比对组别鉴定的差异代谢物的统计信息和汇总表格。

本实验中所得差异代谢物的统计分析结果见下表:
VIP mean_A sd_A mean_C sd_C Fold Change_A/C log2(FC_A/C) p.value FDR
Acetoacetic acid 1.271 371667297.266 4897743.120 402907943.003 13479807.471 0.922 -0.116 0.005 0.014
2-Ketobutyric acid 1.451 190479764.127 9845064.983 112563446.849 6080935.778 1.692 0.759 0.005 0.014
gamma-Aminobutyric acid 1.413 6134107096.984 175699794.742 4717103949.548 283678902.459 1.300 0.379 0.005 0.014
2-Phenylethanol 1.405 17492799.788 7466387.994 48339088.423 2156420.712 0.362 -1.466 0.005 0.014
Cytosine 1.459 857359487.287 35131051.471 1299864608.381 42315901.201 0.660 -0.600 0.005 0.014
Maleamate 1.413 87524528.321 5847344.733 61176481.187 2149246.120 1.431 0.517 0.005 0.014
Indole 1.372 214214492.004 15309622.725 269043647.879 7232286.445 0.796 -0.329 0.005 0.014
L-Threonine 1.442 296292136.643 10274379.320 398916462.877 14217174.632 0.743 -0.429 0.005 0.014
4-Hydroxybenzoic acid 1.473 31381263.687 1438147.327 3183104.032 612528.715 9.859 3.301 0.005 0.014
Tyrosol 1.469 261552009.476 13260891.568 78878028.222 7312406.582 3.316 1.729 0.005 0.014
Thymine 1.392 36273344.549 6424790.158 87713307.469 12599998.433 0.414 -1.274 0.005 0.014
Oxoglutaric acid 1.458 33220061.494 1857854.925 16627164.058 922218.870 1.998 0.999 0.005 0.014
Pipecolic acid 1.469 1841602801.178 53556257.479 1130694691.193 26074471.897 1.629 0.704 0.005 0.014
N-Acetylputrescine 1.452 510820622.366 26490211.699 302331812.179 14709350.213 1.690 0.757 0.005 0.014
3-Methylindole 1.405 172111772.217 11717656.893 236253412.114 11065042.763 0.729 -0.457 0.005 0.014
L-Asparagine 1.406 292727493.851 12531177.304 195278952.446 20802003.153 1.499 0.584 0.005 0.014
L-Aspartic acid 1.459 791109804.234 26892389.783 536501006.845 15441516.496 1.475 0.560 0.005 0.014
Chavicol 1.012 53168122.443 24886269.990 21053039.979 8995571.553 2.525 1.337 0.005 0.014
2-Phenylacetamide 1.466 809550790.752 20503117.984 513483783.712 19045527.409 1.577 0.657 0.005 0.014
Hypoxanthine 1.471 181712662.544 7279573.556 68759339.557 3229916.876 2.643 1.402 0.005 0.014
4-Hydroxyphenylacetaldehyde 1.138 59674674.962 33208263.481 7757606.324 2394433.737 7.692 2.943 0.005 0.014
Tyramine 1.469 80909162.990 4568444.484 23442548.911 1227764.758 3.451 1.787 0.005 0.014
Acetylphosphate 1.169 113189493.181 42779446.979 34274508.451 19975739.015 3.302 1.724 0.005 0.014
6-Hydroxynicotinic acid 1.472 76639414.798 2633005.384 30145103.296 1552858.270 2.542 1.346 0.005 0.014
Ectoine 1.469 178433924.823 12688313.703 24282298.902 2305842.922 7.348 2.877 0.005 0.014
2-Dehydropantoate 1.386 449776389.362 30604809.916 585631009.211 23939545.031 0.768 -0.381 0.005 0.014
Coumarin 1.461 151691341.020 6579799.049 91673409.280 1918256.985 1.655 0.727 0.005 0.014
L-Glutamine 1.452 2119735836.599 113628205.775 1226092202.748 62977857.075 1.729 0.790 0.005 0.014
L-Lysine 1.450 719165085.769 27133936.544 490083020.475 21199356.564 1.467 0.553 0.005 0.014
trans-Cinnamate 1.247 153735938.424 7426044.757 133828117.878 6393636.389 1.149 0.200 0.005 0.014
(+)-(S)-Carvone 1.146 18403874.796 4832325.498 10111655.858 1976759.186 1.820 0.864 0.005 0.014
Guanine 1.313 1028235026.839 55110542.015 1206368441.684 44818987.986 0.852 -0.231 0.005 0.014
D-Arabitol 1.315 35221771.743 3876362.961 48806879.341 3745289.643 0.722 -0.471 0.005 0.014
Pulegone 1.473 78628685.658 1865345.068 141173015.185 2988159.818 0.557 -0.844 0.005 0.014
Aminoadipic acid 1.435 59812806.502 5881778.639 107787356.903 6965782.760 0.555 -0.850 0.005 0.014
Anabasine 1.265 36011329.513 962136.354 40236443.664 1723062.385 0.895 -0.160 0.005 0.014
2-Hydroxy-2-ethylsuccinic acid 1.436 51519725.978 3733339.357 31270680.577 635716.004 1.647 0.720 0.005 0.014
Alpha-D-Glucose 1.206 1291457059.125 98116498.905 1072200410.433 69518620.491 1.204 0.268 0.005 0.014
Nicotine 1.411 51151178.588 3217865.540 36031224.751 1681495.920 1.420 0.506 0.005 0.014
4-Hydroxycinnamic acid 1.453 20893904.631 1643473.682 7875213.387 823536.014 2.653 1.408 0.005 0.014
L-Methionine S-oxide 1.466 465475943.410 16306041.069 259595578.443 11094768.747 1.793 0.842 0.005 0.014
Formylanthranilic acid 1.442 20449566.978 233068.204 16035399.685 718416.763 1.275 0.351 0.005 0.014
Normetanephrine 1.011 109520962.580 41622690.690 58856613.881 3767609.445 1.861 0.896 0.005 0.014
L-4-Hydroxyphenylglycine 1.466 651299906.848 20146128.351 390482628.868 14547400.668 1.668 0.738 0.005 0.014
3-Methoxyanthranilate 1.440 105215185.620 7051606.738 160048205.262 6606550.183 0.657 -0.605 0.005 0.014
(1S,4R)-1-Hydroxy-2-oxolimonene 1.426 24532332.501 2277971.359 4854411.607 3431670.837 5.054 2.337 0.005 0.014
Pyridoxine 1.470 46488227.549 2458846.142 95439919.112 2680743.719 0.487 -1.038 0.005 0.014
Serotonin 1.463 4462011.106 603166.853 15578757.974 1025017.040 0.286 -1.804 0.005 0.014
Kanosamine 1.379 51969994.567 3689924.862 37790780.787 2030627.970 1.375 0.460 0.005 0.014
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid 1.338 61986385.205 4940034.241 78214014.321 3195074.225 0.793 -0.335 0.005 0.014
myo-Inositol 1.456 55784888.493 3057971.526 103742168.177 5544635.215 0.538 -0.895 0.005 0.014
L-Tyrosine 1.469 3000721799.312 86106556.148 1841414674.705 37824118.803 1.630 0.705 0.005 0.014
Phosphorylcholine 1.281 401348974.038 29196972.930 543020965.109 55847536.407 0.739 -0.436 0.005 0.014
Diaminopimelic acid 1.442 58185150.542 2231228.828 74883979.765 1806525.989 0.777 -0.364 0.005 0.014
2-Amino-2-deoxy-D-gluconate 1.319 10963643.930 2287927.828 18375493.012 1765851.791 0.597 -0.745 0.005 0.014
L-Dopa 1.397 19743322.575 881663.846 14607725.456 1043702.145 1.352 0.435 0.005 0.014
Spermine 1.472 7257139.129 819059.903 28704081.689 1117830.474 0.253 -1.984 0.005 0.014
3-[(1-Carboxyvinyl)oxy]benzoate 1.341 100893053.148 34369957.524 4937028.271 1175549.057 20.436 4.353 0.005 0.014
(+)-7-Isojasmonic acid 1.436 157774684.634 10136912.563 82020600.706 10002104.437 1.924 0.944 0.005 0.014
Dethiobiotin 1.367 80112749.234 3765239.659 60397161.082 5006477.864 1.326 0.408 0.005 0.014
4-Amino-2-methyl-5-(phosphooxymethyl)pyrimidine 1.199 34902446.045 14702669.739 99310081.017 32784949.740 0.351 -1.509 0.005 0.014
Pantothenic acid 1.471 257003147.531 8875680.725 118856177.445 4559774.206 2.162 1.113 0.005 0.014
Pyrimidodiazepine 1.448 57217199.199 2655812.503 85688152.213 3584202.762 0.668 -0.583 0.005 0.014
2-trans,6-trans-Farnesal 1.336 16778236.607 1321166.674 22797198.075 1755367.851 0.736 -0.442 0.005 0.014
N-Acetyl-D-glucosamine 1.386 117871600.218 16074927.157 205015415.740 18968437.328 0.575 -0.799 0.005 0.014
Traumatic Acid 1.249 71136597.569 2800988.249 63652249.378 2358258.958 1.118 0.160 0.005 0.014
N-Acetyl-L-2-amino-6-oxopimelate 1.169 31369502.028 4509584.353 23549663.775 1247747.605 1.332 0.414 0.005 0.014
Abscisic alcohol 1.115 26586511.280 10421977.525 10954124.099 1514535.429 2.427 1.279 0.005 0.014
L-Formylkynurenine 1.422 217766716.814 8958112.246 62346627.989 32578366.560 3.493 1.804 0.005 0.014
Cytidine 1.451 985907272.287 35912255.949 1432654761.643 55566587.145 0.688 -0.539 0.005 0.014
Uridine 1.234 306764557.012 6498217.377 322928169.277 5050340.318 0.950 -0.074 0.005 0.014
Abscisic aldehyde 1.081 2718908.664 231351.959 15554720.629 9263949.194 0.175 -2.516 0.005 0.014
Ubiquinone-1 1.446 64763687.904 5212239.208 29299718.448 2499315.597 2.210 1.144 0.005 0.014
Deoxyadenosine 1.474 223558501.661 5856435.305 640690904.756 19089339.950 0.349 -1.519 0.005 0.014
Nicotinate D-ribonucleoside 1.472 302937409.256 6899094.436 520860443.550 11702182.367 0.582 -0.782 0.005 0.014
Glycerophosphocholine 1.459 89095977.604 5986200.355 190402596.462 10753164.549 0.468 -1.096 0.005 0.014
Alpha-Linolenic acid 1.468 90569461.614 3432692.744 30305417.897 3892493.766 2.989 1.579 0.005 0.014
Adenosine 1.476 2481316633.774 58137637.792 12754344150.537 293396346.839 0.195 -2.362 0.005 0.014
(2E,4Z,7Z,8E)-Colnelenic acid 1.095 300160726.329 137279565.278 104497583.072 2577598.759 2.872 1.522 0.005 0.014
9-OxoODE 1.401 180406552.720 11684954.247 244040851.183 11596611.883 0.739 -0.436 0.005 0.014
Stearidonic acid 1.335 645740215.230 197225380.330 97578895.917 39531846.702 6.618 2.726 0.005 0.014
Ophthalmate 1.336 3076694.475 2305798.430 9602239.452 625868.794 0.320 -1.642 0.005 0.014
Etherolenic acid 1.453 1764519320.740 58739269.252 997043178.280 93022905.873 1.770 0.824 0.005 0.014
13-L-Hydroperoxylinoleic acid 1.471 451638677.402 12201437.082 725996209.503 15231285.573 0.622 -0.685 0.005 0.014
12,13-DHOME 1.467 37947022.226 3504312.496 100141628.299 4658823.648 0.379 -1.400 0.005 0.014
15-Deoxy-d-12,14-PGJ2 1.444 94961472.526 5290990.308 42069132.761 7051388.780 2.257 1.175 0.005 0.014
Sphingosine 1.257 17036824.571 2013317.633 22646724.116 1777064.699 0.752 -0.411 0.005 0.014
Sphinganine 1.449 332549186.759 14712296.538 522719286.940 25376572.584 0.636 -0.652 0.005 0.014
Quercetin 1.287 308564755.490 6228857.435 343490288.646 13899703.695 0.898 -0.155 0.005 0.014
11(R)-HETE 1.343 17271375.275 2182165.940 5134945.767 3718749.877 3.364 1.750 0.005 0.014
13(S)-HpOTrE 1.473 283026553.946 7481262.734 141948403.051 4023215.178 1.994 0.996 0.005 0.014
9,10-12,13-Diepoxyoctadecanoate 1.441 35831367.087 4356739.992 68747089.358 3714825.870 0.521 -0.940 0.005 0.014
8,9-EET 1.473 51748248.702 1393148.679 21499153.198 1251924.615 2.407 1.267 0.005 0.014
3-CMP 1.399 51661041.619 3881570.926 70524834.732 3058572.781 0.733 -0.449 0.005 0.014
Prostaglandin E2 1.298 42093328.488 1541752.893 33814107.671 3129312.660 1.245 0.316 0.005 0.014
11,12,15-THETA 1.467 5069094.494 1551592.463 34920815.191 2247288.734 0.145 -2.784 0.005 0.014
Isocorypalmine 1.256 12645715.447 6995713.186 31355493.444 5635267.562 0.403 -1.310 0.005 0.014
dGMP 1.303 7690118.540 1542331.266 11469410.341 267908.514 0.670 -0.577 0.005 0.014
Prostaglandin G2 1.471 1076362703.764 35635633.886 566883369.593 10342742.640 1.899 0.925 0.005 0.014
Prostaglandin I2 1.343 331541433.620 8913801.977 144162719.638 66008861.014 2.300 1.202 0.005 0.014
Chlorogenic acid 1.369 57374109.783 6091510.034 36304362.626 2602337.222 1.580 0.660 0.005 0.014
Riboflavin 1.188 174920101.962 18138611.805 138365540.204 10430898.915 1.264 0.338 0.005 0.014
Desmosterol 1.379 3321004.612 2169439.924 12547478.949 1690203.619 0.265 -1.918 0.005 0.014
Calcitriol 1.317 26754239.439 1310774.119 11338990.406 5929216.292 2.360 1.238 0.005 0.014
Trehalose 6-phosphate 1.438 30401919.191 10589587.094 105961856.218 8887156.604 0.287 -1.801 0.005 0.014
Phenylacetic acid 1.194 15100166.992 3553021.541 26235499.887 5188540.588 0.576 -0.797 0.008 0.020
L-Arginine 1.158 607660616.153 32493906.705 501757784.821 56245759.147 1.211 0.276 0.008 0.020
N-Acetylmuramate 1.165 18898865.893 633298.350 17506438.572 553957.898 1.079 0.110 0.008 0.020
Cellobiose 1.263 33924529.139 2635191.901 42309460.362 2925890.387 0.802 -0.319 0.008 0.020
L-2,4-diaminobutyric acid 1.107 118011963.824 3797265.543 105878573.686 7381547.509 1.115 0.157 0.013 0.029
Pyroglutamic acid 1.045 69245389.084 25686939.169 25576884.109 21992381.797 2.707 1.437 0.013 0.029
Perillic acid 1.101 65968716.749 3587154.368 59841715.472 2271035.705 1.102 0.141 0.013 0.029
Uric acid 1.189 17688069.442 1075362.158 15468439.260 671434.976 1.143 0.193 0.013 0.029
Limonene-1,2-diol 1.129 21385415.267 1611929.720 24177914.661 852105.514 0.884 -0.177 0.013 0.029
(Z)-But-1-ene-1,2,4-tricarboxylate 1.193 147220232.493 39330603.236 497844940.823 194564485.085 0.296 -1.758 0.013 0.029
gamma-Glutamyl-beta-aminopropiononitrile 1.014 5078227.292 1645066.219 7259502.736 701306.117 0.700 -0.516 0.013 0.029
Isochavicol 1.154 83703476.214 13096780.043 53759272.177 13121809.338 1.557 0.639 0.020 0.042
Mannitol 1.058 91824336.680 34018214.655 178897808.301 56182200.219 0.513 -0.962 0.020 0.042
N-Acetyl-L-glutamate 5-semialdehyde 1.062 197404525.290 80953126.095 372553285.519 103182978.671 0.530 -0.916 0.031 0.059
8-Isoprostane 1.083 34489491.900 837090.676 32052698.656 1539266.684 1.076 0.106 0.031 0.059
2-Hydroxybutyric acid 1.030 41083468.007 1828244.792 36107347.172 3513372.429 1.138 0.186 0.045 0.081
beta-Alanyl-L-arginine 1.056 6829763.753 3817193.907 12219711.954 1441091.530 0.559 -0.839 0.045 0.081
5,6-DHET 1.100 40388837.428 4504791.198 26880410.768 8226488.629 1.502 0.587 0.045 0.081
Pyruvic acid 1.441 246401890.953 6012539.013 309835388.963 12470769.420 0.795 -0.330 0.005 0.014
Fumaric acid 1.417 42339782.095 2728988.374 58763777.104 3372870.460 0.721 -0.473 0.005 0.014
Succinic acid 1.271 1790586.503 1833450.860 14901147.223 6051011.284 0.120 -3.057 0.005 0.014
Adenine 1.475 2318561649.751 168416410.430 882631808.134 94794964.732 2.627 1.393 0.005 0.014
3-Hydroxybenzoic acid 1.133 2189769.946 979150.885 9872682.199 5048180.853 0.222 -2.173 0.005 0.014
L-Arabinose 1.478 29041211.858 733363.508 21089296.903 678649.265 1.377 0.462 0.005 0.014
3-Hydroxyanthranilic acid 1.441 8959046.281 668210.146 4460400.232 720031.047 2.009 1.006 0.005 0.014
Gentisic acid 1.312 60221118.411 12986504.617 18694458.875 12000862.242 3.221 1.688 0.005 0.014
Phenylpyruvic acid 1.317 35837140.562 1006294.748 29982180.180 2237331.241 1.195 0.257 0.005 0.014
Quinate 1.443 9926384909.776 545953479.896 18266433572.830 1698785987.273 0.543 -0.880 0.005 0.014
trans-Ferulic acid 1.492 58183935.893 1513218.733 23061691.972 1837459.881 2.523 1.335 0.005 0.014
Gluconic acid 1.363 41511061.348 9491909.217 13450391.540 2798595.025 3.086 1.626 0.005 0.014
L-Tryptophan 1.475 791368369.025 38477205.082 1151168025.881 28825514.369 0.687 -0.541 0.005 0.014
N-Acetyl-L-phenylalanine 1.492 98213809.816 4950589.104 18340859.652 1816273.473 5.355 2.421 0.005 0.014
Galactosylglycerol 1.469 91335576.819 11425203.024 11035259.880 4457444.736 8.277 3.049 0.005 0.014
Deoxyguanosine 1.476 7437930.108 1138200.669 16344583.776 281141.987 0.455 -1.136 0.005 0.014
2-O-(alpha-D-Mannosyl)-D-glycerate 1.463 22026964.194 1353959.437 13555982.143 452488.555 1.625 0.700 0.005 0.014
Inosine 1.419 846653.253 223180.821 2695760.776 428189.470 0.314 -1.671 0.005 0.014
Hexadecanedioate 1.340 18137494.074 6465673.648 35250547.319 1308201.873 0.515 -0.959 0.005 0.014
16-Hydroxy hexadecanoic acid 1.482 195995420.178 10379315.667 362730203.134 15759232.599 0.540 -0.888 0.005 0.014
13(S)-HOT 1.494 1897660951.679 77398443.115 473426330.265 7484650.228 4.008 2.003 0.005 0.014
Guanosine 1.464 17258453.502 994860.948 57737444.407 6625207.894 0.299 -1.742 0.005 0.014
Melibiitol 1.348 7909227.721 1778491.716 2557091.912 923488.893 3.093 1.629 0.005 0.014
p-Coumaroyl quinic acid 1.493 95332704.641 4704897.747 8359778.847 843237.024 11.404 3.511 0.005 0.014
trans-Zeatin riboside 1.440 3332945.950 360949.812 9054811.690 1205648.542 0.368 -1.442 0.005 0.014
Prostaglandin H2 1.411 59936214.686 2572559.746 100838709.104 10924040.784 0.594 -0.751 0.005 0.014
Xanthohumol 1.480 25211266.313 1849480.987 7050548.596 1074510.964 3.576 1.838 0.005 0.014
Geniposidic acid 1.476 24493995.795 1917293.157 9233972.997 628863.674 2.653 1.407 0.005 0.014
Quercetin 3-O-glucoside 1.251 35829736.574 14524502.682 558660793.938 266083486.797 0.064 -3.963 0.005 0.014
Malonate 1.319 35112239.838 3677492.489 18252321.441 5982696.418 1.924 0.944 0.008 0.021
Dihydrouracil 1.055 6297182.978 754108.499 16020059.397 7545710.858 0.393 -1.347 0.008 0.021
L-Arogenate 1.224 10187584.451 3224930.522 3667410.382 1502838.327 2.778 1.474 0.008 0.021
L-Cystine 1.132 169061831.054 90077991.052 375500299.007 105230305.651 0.450 -1.151 0.013 0.030
UMP 1.078 18785843.730 3179298.963 12918962.774 3009838.562 1.454 0.540 0.013 0.030
Kynurenic acid 1.137 15680730.537 789417.523 13866344.148 909369.216 1.131 0.177 0.020 0.044
Prunasin 1.059 10835223.356 898090.079 13196707.550 1590618.263 0.821 -0.284 0.031 0.061
Chitobiose 1.004 27523197.202 1843481.232 23914052.053 2484352.515 1.151 0.203 0.031 0.061
Cyclic GMP 1.024 21090706.127 946984.793 16499146.045 3672210.001 1.278 0.354 0.045 0.084
注:*_VIP:VIP值;mean_*:平均值;sd_*:标准差;fold change:倍性变化;log2(FC):倍性变化的log2值;pvalue:统计学p值;FDR:pvalue校正值