差异代谢物基本信息
相关附件
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:
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VIP mean_A sd_A mean_B sd_B Fold Change_A/B log2(FC_A/B) p.value FDR
Glycerophosphocholine 1.211 107906.164 49391.606 3312062.305 38423.716 0.033 -4.940 0.000 0.000
Paraxanthine 1.210 6922829.853 269646.639 877019.443 135977.269 7.894 2.981 0.000 0.000
Vanillylmandelic acid 1.209 307150738.099 8289198.090 69505460.791 9291839.059 4.419 2.144 0.000 0.000
Salicylamide 1.209 11131845.434 527335.114 1108974.161 56324.291 10.038 3.327 0.000 0.000
L-4-Hydroxyphenylglycine 1.209 67868292.864 3324309.506 6110302.468 168482.103 11.107 3.473 0.000 0.000
L-Proline 1.208 21645869.337 1228662.187 1352113.164 242133.672 16.009 4.001 0.000 0.000
L-Leucine 1.208 7882173.096 435740.231 870513.403 96467.593 9.055 3.179 0.000 0.000
Valeric acid 1.208 31682599.766 1880908.901 1777526.711 359302.135 17.824 4.156 0.000 0.000
Tyramine 1.208 2390839281.009 123843513.218 462031644.721 8437047.043 5.175 2.372 0.000 0.000
Capsidiol 1.208 1430848920.800 49403532.999 532659181.741 31638999.487 2.686 1.426 0.000 0.000
D-Arabitol 1.208 131111365.540 4559610.589 52865227.106 2593365.734 2.480 1.310 0.000 0.000
Pyroglutamic acid 1.208 81109205.544 2207793.714 33481771.523 2312697.071 2.422 1.276 0.000 0.000
Palmitoleic acid 1.207 595762618.455 39518293.574 45391424.670 8024921.721 13.125 3.714 0.000 0.000
Estragole 1.206 379774895.853 23457142.028 71378375.763 5701679.648 5.321 2.412 0.000 0.000
2-Hydroxy-3-(4-Hydroxyphenyl)Propanoic acid 1.206 9220364.864 982733.318 58178847.472 3848943.333 0.158 -2.658 0.000 0.000
Deoxyuridine 1.206 25808077.948 1340814.579 7576909.373 715007.518 3.406 1.768 0.000 0.000
L-Tryptophan 1.203 4626997.966 566632.132 12621958.875 516656.307 0.367 -1.448 0.000 0.000
Phloretin 1.203 7747966.286 354221.648 2444034.462 381702.189 3.170 1.665 0.000 0.000
alpha-Cedrene 1.203 10866606.405 916350.161 1338221.045 272858.965 8.120 3.022 0.000 0.000
gamma-Aminobutyric acid 1.203 21442506.324 1426482.115 77925182.581 5525453.103 0.275 -1.862 0.000 0.000
Palmitic acid 1.202 99924477.266 10196186.859 82015.856 18273.288 1218.400 10.251 0.000 0.000
Triethanolamine 1.202 2343527.647 229135.533 10031797.766 772415.345 0.234 -2.098 0.000 0.000
D-Lyxose 1.201 145765658.016 5113700.038 201735384.167 3175576.439 0.723 -0.469 0.000 0.000
Ectoine 1.201 170630794.862 4496799.903 32041883.435 14436879.098 5.325 2.413 0.000 0.000
Succinic acid semialdehyde 1.201 16781011.773 1403274.160 3541190.308 349048.050 4.739 2.244 0.000 0.000
Hydroxykynurenine 1.201 192868.710 22209.495 56356387.671 6138640.060 0.003 -8.191 0.000 0.000
L-Lysine 1.200 2021276.496 220819.151 9371176.228 815872.326 0.216 -2.213 0.000 0.000
Homovanillic acid 1.200 97365730.326 10723366.016 3238454.045 1791068.782 30.065 4.910 0.000 0.000
1,3-Dihydro-(2H)-Indol-2-One 1.200 14487122.765 743574.811 73687268.416 6830622.185 0.197 -2.347 0.000 0.000
L-Arginine 1.200 25523680.970 2048808.975 6918199.235 708158.406 3.689 1.883 0.000 0.000
Oxoglutaric acid 1.199 151077565.439 6899869.965 89380111.340 2707985.463 1.690 0.757 0.000 0.000
Aristolene 1.199 284213982.661 32071780.275 16649387.688 3620151.817 17.071 4.093 0.000 0.000
L-Asparagine 1.199 3209613.698 722185.084 13414076.617 1005574.886 0.239 -2.063 0.000 0.000
Isoalantolactone 1.197 20018262.969 1549598.065 1775517.892 1717035.220 11.275 3.495 0.000 0.000
Loliolide 1.196 87852231.528 11283662.098 3119806.323 391192.502 28.160 4.816 0.000 0.000
Scoparone 1.192 38544382.918 3765055.515 12364461.122 941593.916 3.117 1.640 0.000 0.000
Pyridoxine 1.191 75884912.383 7343075.461 12031142.968 6335590.264 6.307 2.657 0.000 0.000
(-)-alpha-Curcumene 1.191 23535157.607 3555311.589 201504.550 101835.233 116.800 6.868 0.000 0.000
Methyl Jasmonate 1.190 17014877.652 2674158.298 163935.325 33033.244 103.790 6.697 0.000 0.000
Isofraxidin 1.189 41631974.084 5891368.725 3923801.262 1634807.949 10.610 3.407 0.000 0.000
2,3-Butanediol 1.184 10593815.515 390110.418 4873491.589 933036.106 2.174 1.120 0.000 0.000
Uracil 5-Carboxylate 1.183 266236.479 31068.783 831216.857 97741.734 0.320 -1.643 0.000 0.000
Diphenylamine 1.180 9208069.559 1154276.517 1914250.891 778421.617 4.810 2.266 0.000 0.000
D-Galactose 1.180 4552138.462 521316.191 1571583.940 237986.399 2.897 1.534 0.000 0.000
Dihydronepetalactone 1.179 165579040.093 28884742.526 11660258.839 7027902.540 14.200 3.828 0.000 0.000
4-Amino-4-Deoxychorismate 1.179 3198251.147 568365.250 249412.500 83128.241 12.823 3.681 0.000 0.000
Dihydroactinidiolide 1.176 85327421.181 4401475.386 114804934.605 4002200.613 0.743 -0.428 0.000 0.000
L-Phenylalanine 1.175 13810394.427 731273.648 19877452.047 1001884.018 0.695 -0.525 0.000 0.000
Methyl trans-Cinnamic acid 1.173 45749598.570 7854157.691 7955569.392 1260288.527 5.751 2.524 0.000 0.000
Betaine 1.173 10044681.310 895575.408 5711865.066 178583.194 1.759 0.814 0.000 0.000
Benzoate 1.172 61080447.988 2185747.870 79725190.897 3329551.666 0.766 -0.384 0.000 0.000
trans-Ferulic acid 1.172 13980190.459 526655.556 7864870.564 1207380.263 1.777 0.830 0.000 0.000
Epiafzelechin (2R,3R) 1.170 2629775.831 317078.134 743032.625 268133.413 3.539 1.823 0.000 0.000
L-Dopa 1.166 7033457.428 639873.788 28210914.767 4823695.758 0.249 -2.004 0.000 0.000
D-Gulono-1,4-Lactone 1.164 13519895.879 698635.489 9466670.015 661606.945 1.428 0.514 0.000 0.000
Gulonic acid 1.163 777781.246 147238.962 155763.690 24101.854 4.993 2.320 0.000 0.000
D-Arabinose 1.162 10425934.636 1312448.849 2901244.231 1257732.212 3.594 1.845 0.000 0.000
Coumesterol 1.155 52756540.819 13725047.515 35044.603 20694.006 1505.400 10.556 0.000 0.001
2-Furoylglycine 1.152 56772482.326 14136168.551 3240300.334 1980835.677 17.521 4.131 0.000 0.001
Sorbitol 1.150 5697722.930 458083.984 10190008.166 1123554.132 0.559 -0.839 0.000 0.001
3-Indoleacetonitrile 1.141 7792553.468 1324721.581 2483677.837 810948.167 3.138 1.650 0.000 0.001
Citrulline 1.139 133671909.860 34161391.674 14565516.248 8760967.794 9.177 3.198 0.001 0.001
Indole-3-Carboxylic acid 1.132 21233349.813 1005029.015 27211778.116 1574604.997 0.780 -0.358 0.001 0.002
Dodecanoic acid 1.130 216741.684 59409.917 43096077.462 13597915.893 0.005 -7.635 0.001 0.002
Pantothenic acid 1.129 75882815.464 22245449.135 4877703.190 4011297.674 15.557 3.960 0.001 0.002
L-Valine 1.120 26800104.231 6938703.709 4146091.378 3212310.173 6.464 2.692 0.001 0.002
3-Hydroxybenzyl Alcohol Glucoside 1.119 2521375.267 131140.791 2070925.921 78093.168 1.218 0.284 0.001 0.002
gamma-L-Glutamyl-L-Valine 1.115 92203.898 117529.000 26210073.831 9090117.814 0.004 -8.151 0.001 0.003
Resorcinol Monoacetate 1.112 1865644.275 218428.678 919669.086 252882.022 2.029 1.020 0.001 0.003
Phenylacetic acid 1.109 29746958.018 9612167.785 3013073.556 116815.721 9.873 3.303 0.001 0.003
Pipecolic acid 1.106 41955229.976 12781664.467 6190309.206 2832423.317 6.778 2.761 0.002 0.003
Quinoline 1.105 172488399.785 59483525.481 10834606.581 810752.400 15.920 3.993 0.002 0.003
Gluconic acid 1.095 76057939.106 6422347.636 37276133.090 13594984.972 2.040 1.029 0.002 0.004
Anabasine 1.093 3848803.413 1196098.533 787471.774 55303.263 4.888 2.289 0.002 0.004
Acetylcysteine 1.089 25568122.628 8042555.971 5038354.201 1400127.786 5.075 2.343 0.002 0.005
L-Glutamic acid 1.075 65534120.126 27324642.192 1123114.105 148174.807 58.350 5.867 0.003 0.006
2-Amino-2-Deoxy-D-Gluconate 1.064 2727333.741 58579.971 10562380.322 3483666.937 0.258 -1.953 0.004 0.008
L-Cysteine 1.059 28607376.727 429271.350 36488724.401 3546780.810 0.784 -0.351 0.005 0.008
Hydroquinone 1.054 35231605.962 1571351.115 39287514.299 1031229.262 0.897 -0.157 0.005 0.009
Cinnamaldehyde 1.052 542371932.255 54202167.784 676476123.089 31337683.778 0.802 -0.319 0.005 0.009
3,4-Dihydroxybenzaldehyde 1.051 30841066.858 1604041.880 37540208.545 2700280.147 0.822 -0.284 0.005 0.009
beta-Cadinene 1.042 19496885.605 7103752.983 4666760.673 1013897.159 4.178 2.063 0.006 0.011
Mannitol 1.041 9285388.163 2253750.422 4639058.977 112564.505 2.002 1.001 0.006 0.011
D-Fructose 1.038 12840500.400 2989495.037 6322712.974 1154757.661 2.031 1.022 0.007 0.011
2-Chloro-L-Phenylalanine 1.037 46784610.380 6323050.417 16453388.114 13594252.962 2.844 1.508 0.007 0.012
Perillyl Alcohol 1.033 186137554.689 19859835.172 277599709.202 41292353.913 0.671 -0.577 0.007 0.012
L-Carnitine 1.031 7093081.572 976624.193 10256989.063 1261522.557 0.692 -0.532 0.007 0.013
Heptanoic acid 1.025 21382210.217 5734811.659 9748251.990 1727970.196 2.193 1.133 0.008 0.014
Cyclo(L-Phe-L-Pro) 1.023 13220245.753 1794267.858 9727471.540 240566.951 1.359 0.443 0.008 0.014
beta-Bisabolene 1.023 10045836.481 1147657.829 13787862.226 1565408.402 0.729 -0.457 0.008 0.014
cis-4-Hydroxy-L-Proline 1.023 455865177.974 245807840.779 4822091954.198 2253110472.992 0.095 -3.403 0.008 0.014
Lumichrome 1.019 22345201.258 2818328.828 33585947.623 5183015.930 0.665 -0.588 0.009 0.015
4-Hydroxy-3-(3-Methyl-2-Butenyl)Acetophenone 1.015 313538384.964 103645423.138 890844818.351 289814839.583 0.352 -1.506 0.009 0.016
L-Kynurenine 1.014 1882976.186 330089.254 6860075.219 2638640.973 0.274 -1.865 0.010 0.016
D-Ribose 5-Phosphate 1.009 22211348.998 245672.962 21705489.645 122056.835 1.023 0.033 0.010 0.017
Phthalic acid 1.003 19470134.972 8578563.310 3936103.785 383924.917 4.947 2.306 0.011 0.018
Secoisolariciresinol 1.189 21266141.312 363389.238 130904.403 130946.364 162.460 7.344 0.000 0.000
Monoethyl Malonic acid 1.188 72775862.974 1278224.212 10044366.479 562872.657 7.245 2.857 0.000 0.000
4-Demethylepipodophyllotoxin 1.188 5039400.075 189316.849 47628.966 25197.517 105.810 6.725 0.000 0.000
Glycerophospho-N-Oleoyl Ethanolamine 1.187 127455483.333 5364455.299 1367072.549 520886.429 93.232 6.543 0.000 0.000
Trans-Cinnamate 1.186 332699274.982 3437075.636 165283364.594 8812821.181 2.013 1.009 0.000 0.000
3-Hydroxy-Tetradecanoic acid 1.186 342340123.508 17380451.178 20646981.373 5937868.571 16.581 4.051 0.000 0.000
Luteolin-3,7-Di-O-Glucoside 1.186 10879527.428 603860.073 363532.020 40159.567 29.927 4.903 0.000 0.000
Capric acid 1.186 8959576.424 451547.285 1069192.407 80094.308 8.380 3.067 0.000 0.000
4-Hydroxycoumarin 1.186 78062219.772 4620716.049 1756442.336 367880.769 44.443 5.474 0.000 0.000
(-)-Matairesinol 1.185 19310738.263 1192194.897 214789.161 23497.274 89.906 6.490 0.000 0.000
Roccellic acid 1.185 129427070.341 8251267.845 485001.701 548577.938 266.860 8.060 0.000 0.000
12-Hydroxydodecanoic acid 1.185 16167589.639 918664.768 2079424.319 158477.965 7.775 2.959 0.000 0.000
Abscisic acid 1.185 62738630.144 4207972.224 1072093.769 176410.002 58.520 5.871 0.000 0.000
3-Amino-4-Hydroxybenzoate 1.184 5496392.239 344467.330 34060818.276 2146647.665 0.161 -2.632 0.000 0.000
Sedoheptulose 7-Phosphate 1.182 3510947.689 218356.323 558936.565 137798.601 6.282 2.651 0.000 0.000
1-Hydroxy-2-Naphthoate 1.182 300539.346 38145.914 54913877.340 4812909.027 0.005 -7.513 0.000 0.000
Xanthurenic acid 1.179 7309038.105 561915.670 449664.462 443262.061 16.254 4.023 0.000 0.000
Creatinine 1.177 4087660.468 317612.321 318980.268 293035.330 12.815 3.680 0.000 0.000
Chlorogenic acid 1.176 28320493.123 3378063.598 205870.779 149592.162 137.560 7.104 0.000 0.000
Undecanoic acid 1.175 13347364.956 1176665.421 2436739.324 701108.893 5.478 2.454 0.000 0.000
Pyrophosphate 1.173 693146.765 188710.257 16104218.979 2042293.112 0.043 -4.538 0.000 0.000
L-Malic acid 1.173 3373185.401 74371.708 2249266.482 133108.131 1.500 0.585 0.000 0.000
Miquelianin 1.173 175394799.171 23944206.635 92264.193 136512.986 1901.000 10.893 0.000 0.000
Taxifolin 1.171 47545404.243 6160114.943 4408619.338 823927.801 10.785 3.431 0.000 0.000
Isosakuranin 1.170 3877660.963 433138.019 642461.944 199114.295 6.036 2.594 0.000 0.000
2-Hydroxymyristic acid 1.168 30314272.449 4298737.312 2723550.057 242544.099 11.130 3.476 0.000 0.000
dGMP 1.165 4403820.182 888480.499 10457050.672 451940.185 0.421 -1.248 0.000 0.000
Kaempferol 3-Glucuronide 1.165 935545742.317 156684827.643 160959.953 177931.338 5812.300 12.505 0.000 0.000
Isorhamnetin 1.165 26281118.688 3338660.634 5688801.122 873269.169 4.620 2.208 0.000 0.000
Hippuric acid 1.162 3432214.649 317257.711 630569.826 374658.223 5.443 2.444 0.000 0.000
Allantoin 1.161 3121827.290 175043.363 8450029.778 941670.268 0.369 -1.437 0.000 0.000
Dethiobiotin 1.159 2672493.484 490149.917 54088.711 7771.122 49.409 5.627 0.000 0.000
Astragalin 1.154 2980850840.617 443735436.485 672652094.013 150893975.625 4.431 2.148 0.000 0.000
1,3-Dicaffeoylquinic acid 1.150 3468837.241 546705.554 388163.626 372855.680 8.937 3.160 0.000 0.000
Kaempferide 1.148 8486712.463 218927.973 15017962.206 1416484.752 0.565 -0.823 0.000 0.000
Glutaric acid 1.146 8411513.389 1079431.613 3226566.873 449829.682 2.607 1.382 0.000 0.000
(+)-Syringaresinol O-beta-D-Glucoside 1.141 1797722.317 400918.785 93504.173 78286.110 19.226 4.265 0.000 0.000
Glycerophospho-N-Palmitoyl Ethanolamine 1.136 26841862.482 6641058.352 567010.121 164132.240 47.339 5.565 0.000 0.001
3-Hydroxyanthranilic acid 1.134 4802512.425 1108852.082 477065.230 51037.662 10.067 3.332 0.000 0.001
9,10-DHOME 1.132 75638667.069 9552812.415 29659201.608 7367941.011 2.550 1.351 0.000 0.001
3,3-Dimethylglutaric acid 1.130 9809311.532 2424000.694 759834.957 84721.885 12.910 3.690 0.000 0.001
Formononetin 1.124 84879.444 18498.692 19732474.674 5546679.579 0.004 -7.861 0.000 0.001
N-Acetylaspartylglutamic acid 1.119 1578845.464 453521.343 34969.951 11334.293 45.149 5.497 0.000 0.001
2-Carboxybenzaldehyde 1.100 45806337.871 4577805.947 67204761.062 5484002.286 0.682 -0.553 0.001 0.002
Dihydromyricetin 1.093 119583.366 95828.941 6212090.887 2120456.028 0.019 -5.699 0.001 0.003
3-p-Coumaroylquinic acid 1.074 46030958.929 17795850.433 221893.588 56403.137 207.450 7.697 0.002 0.004
Naringenin 1.071 58805868.360 3749043.550 36059162.104 8116471.032 1.631 0.706 0.002 0.004
Kynurenic acid 1.071 11013797.643 1432917.671 2596710.759 2987826.561 4.241 2.085 0.002 0.004
Scopoletin 1.057 1198658.690 902973.075 3483525.159 330420.911 0.344 -1.539 0.003 0.006
Vanillic acid 1.052 2230268.698 1024923.045 5507608.504 965536.163 0.405 -1.304 0.003 0.006
Glycocholic acid 1.038 2616018694.025 396874369.333 1321678726.211 435400052.302 1.979 0.985 0.005 0.008
13(S)-HOT 1.029 357406871.408 22215551.940 217033192.770 62553423.745 1.647 0.720 0.006 0.009
Methylgallate 1.026 132390.407 7667.950 1456978.480 633867.305 0.091 -3.460 0.006 0.010
2,4-Dihydroxyacetophenone 1.023 33922161.206 1791044.871 15307867.334 8825054.565 2.216 1.148 0.006 0.010
6,8-Dimethyl-4-Hydroxycoumarin 1.006 1598508.530 135011.582 1164031.991 177500.892 1.373 0.458 0.008 0.013
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