Table 2.
Differential metabolites detected by mass spectrometry combined with gas phase.
| ID | Peak2 | Similarity | rt | Count | Mass | MEAN T | MEAN M | VIP | P-value | Q-value | FOLDCHANGE | LOG_FOLDCHANGE |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 69 | 2-Hydroxybutanoic acid | 923 | 5.90393,0 | 9 | 131 | 1.272515066 | 1.829157 | 1.299843399 | 0.030824766 | 0.054717746 | 0.695683796 | −0.523496376 |
| 87 | 3-Hydroxybutyric acid | 917 | 6.15207,0 | 9 | 147 | 25.48762597 | 38.1509 | 1.435772881 | 0.006906593 | 0.031058352 | 0.668074026 | −0.581920125 |
| 228 | L-malic acid | 910 | 8.38126,0 | 9 | 73 | 15.02098304 | 24.18815 | 1.206850204 | 0.045844599 | 0.064707169 | 0.621005853 | −0.68732123 |
| 407 | Palmitoleic acid | 903 | 11.4327,0 | 9 | 55 | 4.427715453 | 6.258029 | 1.236645983 | 0.049653209 | 0.067078325 | 0.707525543 | −0.499145861 |
| 410 | Palmitic acid | 878 | 11.5306,0 | 9 | 117 | 20.90998716 | 28.73753 | 1.309850706 | 0.025056075 | 0.05026023 | 0.727619379 | −0.458744127 |
| 68 | Glycine 1 | 876 | 5.88319,0 | 9 | 102 | 3.920530889 | 5.969469 | 1.437149115 | 0.003623146 | 0.031058352 | 0.656763806 | −0.606553473 |
| 144 | glycerol | 855 | 6.94956,0 | 9 | 205 | 14.73609113 | 22.11935 | 1.316507776 | 0.030374647 | 0.054407164 | 0.66620819 | −0.585955005 |
| 234 | Threitol | 852 | 8.47978,0 | 9 | 217 | 0.320598289 | 0.534807 | 1.439750027 | 0.003284907 | 0.031058352 | 0.599465913 | −0.738250374 |
| 273 | Alpha-ketoglutaric acid | 826 | 8.93667,0 | 9 | 73 | 4.392760756 | 7.040861 | 1.19046366 | 0.04958074 | 0.067035106 | 0.623895417 | −0.680623882 |
| 172 | Uracil | 822 | 7.43667,0 | 9 | 241 | 0.382125402 | 0.661469 | 1.353053457 | 0.022060725 | 0.047455437 | 0.577691894 | −0.791627843 |
| 184 | Pelargonic acid | 794 | 7.60111,0 | 9 | 215 | 0.046390864 | 0.07566 | 1.23255862 | 0.043826199 | 0.063362351 | 0.613151594 | −0.705684289 |
| 222 | Aminomalonic acid | 791 | 8.28837,0 | 9 | 218 | 0.413476931 | 0.584889 | 1.244433147 | 0.031388031 | 0.055098631 | 0.706932665 | −0.50035529 |
| 206 | 2-Deoxytetronic acid | 780 | 8.01104,0 | 9 | 73 | 4.287775664 | 6.992805 | 1.380659529 | 0.007758549 | 0.031058352 | 0.613169609 | −0.705641901 |
| 85 | 3-Hydroxypyridine | 778 | 6.0817,0 | 9 | 152 | 0.233075193 | 0.349579 | 1.473437449 | 0.004190223 | 0.031058352 | 0.666731544 | −0.584822111 |
| 127 | 4-Hydroxybutyrate | 769 | 6.69919,0 | 9 | 233 | 0.018386599 | 0.032341 | 1.34064562 | 0.025110742 | 0.050307906 | 0.568527482 | −0.814698006 |
| 427 | heptadecanoic acid | 745 | 11.985,0 | 9 | 117 | 0.110508121 | 0.168502 | 1.336703207 | 0.032082258 | 0.055556587 | 0.655828223 | −0.608610108 |
| 197 | Thymine | 677 | 7.85356,0 | 9 | 270 | 0.043778381 | 0.066104 | 1.371605211 | 0.012906566 | 0.037801216 | 0.662263926 | −0.59452182 |
| 110 | Malonic acid 1 | 674 | 6.46348,0 | 9 | 141 | 0.120153186 | 0.212515 | 1.480974611 | 0.001576369 | 0.031058352 | 0.56538798 | −0.822686883 |
| 99 | Methyl phosphate | 665 | 6.28585,0 | 9 | 241 | 0.115662474 | 0.211687 | 1.463936501 | 0.002727024 | 0.031058352 | 0.5463833 | −0.872014707 |
| 207 | Beta-alanine 2 | 643 | 8.03652,0 | 9 | 248 | 0.054056527 | 0.101364 | 1.421035491 | 0.014950627 | 0.039659996 | 0.533289189 | −0.907010013 |
| 162 | 2,3-Dihydroxypyridine | 633 | 7.28778,0 | 9 | 240 | 0.086432291 | 0.12972 | 1.393394351 | 0.006663844 | 0.031058352 | 0.666297891 | −0.585760767 |
| 463 | N-acetyl-5-hydroxytryptamine 1 | 590 | 13.2097,0 | 9 | 290 | 160.0062516 | 231.7193 | 1.303021085 | 0.041478731 | 0.061714361 | 0.690517501 | −0.534250115 |
| 113 | 3-Aminoisobutyric acid 2 | 520 | 6.51726,0 | 9 | 57 | 0.32200107 | 0.496484 | 1.338967469 | 0.015637714 | 0.04020852 | 0.648562563 | −0.624682345 |
| 307 | 1,2-Cyclohexanedione 4 | 517 | 9.492,0 | 8 | 205 | 0.101748813 | 0.181678 | 1.387571447 | 0.026616559 | 0.051576505 | 0.560051285 | −0.836369152 |
| 216 | Erythrose 1 | 514 | 8.18007,0 | 9 | 350 | 0.689931679 | 1.092036 | 1.272409468 | 0.028301472 | 0.052900868 | 0.631784782 | −0.662494907 |
| 219 | Capric acid | 508 | 8.24689,0 | 9 | 117 | 0.161212023 | 0.274597 | 1.358543235 | 0.010727066 | 0.035339822 | 0.587086555 | −0.768354878 |
| 146 | 2-Deoxyuridine | 503 | 7.01356,0 | 3 | 81 | 0.000258002 | 0.659853 | 1.539040505 | 0.016123039 | 0.040576096 | 0.000390999 | −11.32054852 |
| 377 | D-altrose 2 | 487 | 10.8282,0 | 3 | 257 | 0.000258002 | 0.138383 | 1.541803731 | 0.000279156 | 0.031058352 | 0.0018644 | −9.067072758 |
| 111 | Methylmalonic acid | 481 | 6.46941,0 | 9 | 226 | 0.210469269 | 0.423913 | 1.496235451 | 0.002203188 | 0.031058352 | 0.496491996 | −1.010157634 |
| 285 | Digitoxose 1 | 452 | 9.08156,0 | 3 | 73 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 246 | trans-4-Hydroxy-L-proline 2 | 449 | 8.64244,0 | 3 | 186 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 88 | Sulfuric acid | 419 | 6.16896,0 | 9 | 281 | 0.759582216 | 1.140343 | 1.321189491 | 0.030078726 | 0.054199895 | 0.666099824 | −0.586189695 |
| 218 | 2,4-Diaminobutyric acid 3 | 416 | 8.2337,0 | 9 | 103 | 0.177346978 | 0.279941 | 1.370608087 | 0.009107719 | 0.033074562 | 0.633516577 | −0.658545725 |
| 425 | d-Glucoheptose 1 | 412 | 11.9031,0 | 7 | 319 | 0.012258146 | 0.021077 | 1.315429516 | 0.039316399 | 0.060377704 | 0.581574962 | −0.781962934 |
| 501 | Isomaltose 2 | 410 | 15.118,0 | 7 | 73 | 0.21680148 | 0.330811 | 1.462708603 | 0.005347921 | 0.031058352 | 0.655363457 | −0.609632863 |
| 211 | N-acetyl-L-leucine 2 | 406 | 8.12433,0 | 8 | 86 | 0.058678762 | 0.087162 | 1.447579125 | 0.011125631 | 0.035834826 | 0.673218373 | −0.570853545 |
| 309 | L-homoserine 3 | 396 | 9.52289,0 | 6 | 290 | 0.052160115 | 0.075824 | 1.481796159 | 0.00209498 | 0.031058352 | 0.687909761 | −0.539708769 |
| 77 | 2-Ketovaleric acid 2 | 393 | 5.97089,0 | 9 | 89 | 0.148017445 | 0.248358 | 1.44720369 | 0.004315057 | 0.031058352 | 0.595983832 | −0.746654902 |
| 238 | 4-Acetamidobutyric acid 2 | 387 | 8.55919,0 | 9 | 174 | 0.262681494 | 0.414491 | 1.304395218 | 0.023923344 | 0.049245254 | 0.633744092 | −0.658027703 |
| 343 | Biuret 2 | 385 | 10.0571,0 | 6 | 171 | 0.131112438 | 0.11193 | 1.298491114 | 0.038783781 | 0.060035166 | 1.171379459 | 0.228208501 |
| 149 | O-acetylserine 2 | 384 | 7.08467,0 | 3 | 116 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 170 | Oxamide | 382 | 7.37756,0 | 9 | 116 | 0.638063028 | 0.963743 | 1.375059784 | 0.010946865 | 0.035615566 | 0.66206751 | −0.594949762 |
| 193 | Resorcinol | 364 | 7.74837,0 | 9 | 240 | 0.1893703 | 0.270561 | 1.422135343 | 0.028840031 | 0.053304636 | 0.699917794 | −0.514742608 |
| 34 | 2-Ketobutyric acid 2 | 359 | 5.37696,0 | 9 | 174 | 3.895398713 | 6.310969 | 1.452753771 | 0.003819666 | 0.031058352 | 0.617242587 | −0.69609049 |
| 495 | Maltose | 344 | 14.4673,0 | 3 | 204 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 506 | Ergosterol | 339 | 17.6037,0 | 7 | 129 | 0.038142477 | 0.170062 | 1.152056064 | 0.040476247 | 0.061105175 | 0.224285234 | −2.156593449 |
| 290 | D-erythronolactone 2 | 338 | 9.18748,0 | 9 | 244 | 0.233520567 | 0.335404 | 1.338741737 | 0.015238113 | 0.03989368 | 0.696237385 | −0.522348811 |
| 417 | Sinapyl alcohol 1 | 331 | 11.7691,0 | 3 | 241 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 416 | N-acetyl-D-galactosamine 1 | 329 | 11.7478,0 | 3 | 202 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 114 | 3-Methylamino-1,2-propanediol 1 | 327 | 6.52733,0 | 9 | 116 | 0.145928713 | 0.251951 | 1.487710076 | 0.000575224 | 0.031058352 | 0.579194579 | −0.787879996 |
| 92 | 4-Hydroxypyridine | 326 | 6.20052,0 | 9 | 141 | 0.489927793 | 0.795927 | 1.451323971 | 0.002465951 | 0.031058352 | 0.615543839 | −0.700066486 |
| 251 | Cytosine | 322 | 8.68941,0 | 9 | 314 | 2.509840552 | 4.082056 | 1.283159978 | 0.021963317 | 0.047357392 | 0.614847194 | −0.701700187 |
| 507 | Cholestane-3,5,6-triol, (3?5?6?- | 321 | 18.7661,0 | 9 | 57 | 0.885146653 | 2.002186 | 1.387564892 | 0.006905578 | 0.031058352 | 0.442090187 | −1.177587384 |
| 295 | 2-Carboxybenzaldehyde | 318 | 9.29889,0 | 3 | 448 | 0.000258002 | 0.040566 | 1.54194144 | 0.001888566 | 0.031058352 | 0.006360115 | −7.296731326 |
| 486 | Alizarin | 296 | 13.9349,0 | 3 | 192 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 255 | Maleamate 2 | 272 | 8.72638,0 | 7 | 244 | 0.017984542 | 0.083238 | 1.133918922 | 0.023097427 | 0.048471018 | 0.216061427 | −2.210486564 |
| 169 | 4-Acetylbutyric acid 2 | 265 | 7.37059,0 | 9 | 71 | 0.880439414 | 1.444854 | 1.436770641 | 0.018764895 | 0.043859407 | 0.60936233 | −0.714627777 |
| 1 | Analyte 1 | 0 | 4.85415,0 | 9 | 220 | 0.143627588 | 0.206994 | 1.412512528 | 0.009375416 | 0.03347991 | 0.693874841 | −0.527252637 |
| 2 | Analyte 2 | 0 | 4.86659,0 | 9 | 221 | 0.939179789 | 1.482562 | 1.223187422 | 0.048539846 | 0.066406466 | 0.633484237 | −0.658619373 |
| 4 | Analyte 4 | 0 | 4.906,0 | 9 | 127 | 25.04838891 | 40.41622 | 1.427277713 | 0.024022642 | 0.049336351 | 0.619760853 | −0.690216464 |
| 9 | Analyte 9 | 0 | 4.95133,0 | 9 | 56 | 0.076008724 | 0.130549 | 1.387105878 | 0.006481408 | 0.031058352 | 0.582225673 | −0.780349639 |
| 13 | Analyte 13 | 0 | 5.01281,0 | 9 | 281 | 0.519158543 | 0.88159 | 1.415956277 | 0.00432766 | 0.031058352 | 0.588888971 | −0.763932441 |
| 14 | Analyte 15 | 0 | 5.05415,0 | 9 | 89 | 0.126686366 | 0.194385 | 1.370732385 | 0.011314269 | 0.036061485 | 0.651727984 | −0.617658153 |
| 15 | Analyte 16 | 0 | 5.06096,0 | 9 | 71 | 0.14247583 | 0.254596 | 1.382415691 | 0.025128313 | 0.050323204 | 0.559614273 | −0.837495336 |
| 16 | Analyte 17 | 0 | 5.10467,0 | 9 | 248 | 0.189236239 | 0.277412 | 1.185862123 | 0.046349455 | 0.065033621 | 0.682149873 | −0.551839351 |
| 17 | Analyte 18 | 0 | 5.1217,0 | 9 | 71 | 0.23537597 | 0.369089 | 1.285237347 | 0.028223069 | 0.052841325 | 0.63772183 | −0.649000828 |
| 21 | Analyte 22 | 0 | 5.17593,0 | 9 | 160 | 0.117336438 | 0.227376 | 1.396764148 | 0.014713146 | 0.039462234 | 0.516045471 | −0.954429902 |
| 26 | Analyte 27 | 0 | 5.21607,0 | 9 | 207 | 1.534123014 | 2.442395 | 1.406790033 | 0.005116932 | 0.031058352 | 0.628122392 | −0.670882394 |
| 28 | Analyte 29 | 0 | 5.28378,0 | 9 | 318 | 0.490583082 | 0.81612 | 1.436795045 | 0.003319147 | 0.031058352 | 0.601116114 | −0.7342844 |
| 29 | Analyte 30 | 0 | 5.28985,0 | 9 | 141 | 0.424192495 | 0.699525 | 1.423841019 | 0.023362325 | 0.048722604 | 0.606400455 | −0.72165726 |
| 31 | Analyte 32 | 0 | 5.306,0 | 9 | 82 | 0.113890123 | 0.158043 | 1.300767064 | 0.041070167 | 0.061468223 | 0.720626315 | −0.472676759 |
| 35 | Analyte 36 | 0 | 5.38238,0 | 7 | 265 | 0.096659841 | 0.140997 | 1.323588558 | 0.026344832 | 0.051353772 | 0.685547745 | −0.544670949 |
| 42 | Analyte 43 | 0 | 5.50956,0 | 6 | 318 | 0.053147962 | 0.116636 | 1.389043774 | 0.004972626 | 0.031058352 | 0.45567417 | −1.133925502 |
| 43 | Analyte 44 | 0 | 5.53119,0 | 9 | 83 | 1.092646683 | 1.899617 | 1.374864683 | 0.014404096 | 0.039198218 | 0.575193161 | −0.797881572 |
| 45 | Analyte 46 | 0 | 5.57133,0 | 9 | 173 | 0.040681195 | 0.061956 | 1.280531443 | 0.032539528 | 0.055851534 | 0.656616292 | −0.606877547 |
| 53 | Analyte 54 | 0 | 5.69844,0 | 3 | 72 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 60 | Analyte 61 | 0 | 5.77652,0 | 9 | 187 | 0.411739097 | 0.640732 | 1.381876488 | 0.034261264 | 0.056916913 | 0.642607665 | −0.637989906 |
| 61 | Analyte 62 | 0 | 5.78067,0 | 9 | 89 | 0.196207665 | 0.280779 | 1.249714074 | 0.032407158 | 0.055766689 | 0.698796716 | −0.517055267 |
| 65 | Analyte 66 | 0 | 5.85193,0 | 9 | 258 | 1.102739869 | 1.898571 | 1.45940324 | 0.002841114 | 0.031058352 | 0.58082638 | −0.783821116 |
| 66 | Analyte 67 | 0 | 5.86748,0 | 9 | 245 | 0.75141187 | 1.042003 | 1.340855538 | 0.014720908 | 0.039468767 | 0.721122764 | −0.471683209 |
| 70 | Analyte 71 | 0 | 5.91167,0 | 8 | 83 | 0.124600132 | 0.21066 | 1.460188 | 0.005923432 | 0.031058352 | 0.5914747 | −0.757611636 |
| 71 | Analyte 72 | 0 | 5.917,0 | 8 | 206 | 0.109884171 | 0.15268 | 1.26573403 | 0.041287114 | 0.061599284 | 0.719702949 | −0.474526526 |
| 79 | Analyte 80 | 0 | 5.97948,0 | 9 | 130 | 0.06545618 | 0.103826 | 1.457571818 | 0.002601319 | 0.031058352 | 0.630443919 | −0.665560052 |
| 83 | Analyte 84 | 0 | 6.06822,0 | 9 | 89 | 0.629883615 | 0.857153 | 1.348964908 | 0.02146227 | 0.046845666 | 0.734855621 | −0.444467266 |
| 86 | Analyte 87 | 0 | 6.1057,0 | 9 | 355 | 0.013100601 | 0.023343 | 1.464859492 | 0.002920262 | 0.031058352 | 0.561219926 | −0.833361863 |
| 94 | Analyte 95 | 0 | 6.23356,0 | 9 | 322 | 0.091050422 | 0.141299 | 1.335935817 | 0.013050372 | 0.037944549 | 0.644383212 | −0.634009188 |
| 96 | Analyte 97 | 0 | 6.25607,0 | 9 | 221 | 0.273334486 | 0.505144 | 1.382718281 | 0.018461158 | 0.043496426 | 0.541101922 | −0.88602773 |
| 97 | Analyte 98 | 0 | 6.26304,0 | 9 | 267 | 0.052183801 | 0.081353 | 1.339044648 | 0.021887851 | 0.047281114 | 0.641446738 | −0.640598617 |
| 98 | Analyte 99 | 0 | 6.28007,0 | 9 | 152 | 1.243281284 | 1.731247 | 1.362450345 | 0.018110888 | 0.04307052 | 0.718142143 | −0.477658667 |
| 100 | Analyte 101 | 0 | 6.35356,0 | 9 | 211 | 0.149975112 | 0.243234 | 1.269434425 | 0.034442556 | 0.057025121 | 0.6165884 | −0.697620347 |
| 101 | Analyte 102 | 0 | 6.37207,0 | 9 | 221 | 0.126068615 | 0.229719 | 1.369812092 | 0.014918915 | 0.039633839 | 0.548793895 | −0.865663663 |
| 112 | Analyte 114 | 0 | 6.51,0 | 3 | 207 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 124 | Analyte 126 | 0 | 6.667,0 | 4 | 159 | 0.005980118 | 0.035398 | 1.206743852 | 0.007595819 | 0.031058352 | 0.168941731 | −2.565402355 |
| 132 | Analyte 134 | 0 | 6.76096,0 | 9 | 102 | 0.087156126 | 0.13135 | 1.424413383 | 0.004694475 | 0.031058352 | 0.663543315 | −0.591737451 |
| 135 | Analyte 137 | 0 | 6.83089,0 | 9 | 108 | 0.197475333 | 0.322281 | 1.394014594 | 0.009483719 | 0.033640096 | 0.612743258 | −0.70664539 |
| 138 | Analyte 140 | 0 | 6.86778,0 | 9 | 319 | 1.873157639 | 3.114122 | 1.418362299 | 0.007847303 | 0.031058352 | 0.601504164 | −0.73335337 |
| 147 | Analyte 149 | 0 | 7.02956,0 | 9 | 299 | 230.5117654 | 328.7347 | 1.368501132 | 0.014450612 | 0.039238447 | 0.70120909 | −0.512083397 |
| 150 | Analyte 152 | 0 | 7.08911,0 | 3 | 108 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 168 | Analyte 170 | 0 | 7.36319,0 | 9 | 221 | 0.038675613 | 0.064306 | 1.425299204 | 0.003779737 | 0.031058352 | 0.601426746 | −0.733539068 |
| 174 | Analyte 176 | 0 | 7.44822,0 | 3 | 174 | 0.000258002 | 0.000388 | 1.382297717 | 0.007898488 | 0.031058352 | 0.664566179 | −0.589515221 |
| 176 | Analyte 178 | 0 | 7.4663,0 | 9 | 300 | 0.14066929 | 0.25431 | 1.397799484 | 0.009390264 | 0.033501999 | 0.553141309 | −0.854280007 |
| 183 | Analyte 185 | 0 | 7.57178,0 | 9 | 241 | 0.034659852 | 0.05353 | 1.278909492 | 0.022639121 | 0.048028239 | 0.647485316 | −0.62708062 |
| 188 | Analyte 190 | 0 | 7.65457,0 | 7 | 152 | 0.007184055 | 0.027339 | 1.117506783 | 0.048028223 | 0.066091974 | 0.262776377 | −1.92809251 |
| 210 | Analyte 212 | 0 | 8.07785,0 | 9 | 327 | 0.058009466 | 0.101589 | 1.381321063 | 0.008796901 | 0.032586355 | 0.571020535 | −0.808385465 |
| 213 | Analyte 215 | 0 | 8.15637,0 | 9 | 302 | 0.064257101 | 0.098722 | 1.246277713 | 0.028098654 | 0.052746433 | 0.650889175 | −0.619516174 |
| 215 | Analyte 217 | 0 | 8.16556,0 | 9 | 281 | 0.039345122 | 0.080491 | 1.374905261 | 0.003686217 | 0.031058352 | 0.48881664 | −1.032634697 |
| 227 | Analyte 229 | 0 | 8.36156,0 | 9 | 341 | 0.052448759 | 0.086946 | 1.325218816 | 0.017092886 | 0.041786174 | 0.603232561 | −0.72921379 |
| 229 | Analyte 231 | 0 | 8.40367,0 | 8 | 100 | 0.203180031 | 0.32939 | 1.341979958 | 0.013693148 | 0.038560536 | 0.616837794 | −0.697036932 |
| 237 | Analyte 240 | 0 | 8.54081,0 | 9 | 337 | 0.25036522 | 0.455655 | 1.366777246 | 0.036832395 | 0.058732065 | 0.549461995 | −0.863908397 |
| 253 | Analyte 256 | 0 | 8.70644,0 | 9 | 292 | 0.357528929 | 0.515931 | 1.21938121 | 0.048453083 | 0.066353391 | 0.692978537 | −0.529117425 |
| 256 | Analyte 259 | 0 | 8.74333,0 | 8 | 245 | 0.048845708 | 0.090829 | 1.326629434 | 0.009723922 | 0.033987829 | 0.537777275 | −0.894919303 |
| 259 | Analyte 262 | 0 | 8.78319,0 | 9 | 263 | 0.13088251 | 0.231069 | 1.344860566 | 0.044434442 | 0.063774445 | 0.566422421 | −0.820049721 |
| 267 | Analyte 270 | 0 | 8.88467,0 | 9 | 71 | 0.11227297 | 0.204138 | 1.433063266 | 0.00608667 | 0.031058352 | 0.549984911 | −0.862536055 |
| 345 | Analyte 350 | 0 | 10.0673,0 | 5 | 292 | 0.000258002 | 0.063722 | 1.539628212 | 0.004952684 | 0.031058352 | 0.004048846 | −7.948273624 |
| 364 | Analyte 369 | 0 | 10.4758,0 | 3 | 55 | 0.000258002 | 0.063552 | 1.542224923 | 0.016254112 | 0.040672706 | 0.004059669 | −7.944422022 |
| 393 | Analyte 400 | 0 | 11.1802,0 | 6 | 217 | 0.061713649 | 0.161587 | 1.405655109 | 0.013522845 | 0.038401138 | 0.38192255 | −1.38864799 |
| 435 | Analyte 442 | 0 | 12.219,0 | 4 | 67 | 0.005692675 | 0.030499 | 1.184497207 | 0.039424771 | 0.060446736 | 0.186653558 | −2.421565088 |
| 455 | Analyte 463 | 0 | 12.8955,0 | 9 | 232 | 3.442379815 | 4.609231 | 1.359547429 | 0.025385868 | 0.050546071 | 0.746844736 | −0.421119747 |
| 487 | Analyte 495 | 0 | 13.9389,0 | 6 | 259 | 0.013690852 | 0.027019 | 1.401570503 | 0.023138199 | 0.048509945 | 0.506703381 | −0.98078664 |
| 503 | Analyte 511 | 0 | 15.8464,0 | 9 | 357 | 0.080572597 | 0.145165 | 1.270859236 | 0.035617861 | 0.057880623 | 0.555041297 | −0.849332977 |
| ID | The unique data number of the substance in this qualitative analysis | |||||||||||
| Peak | The name of the substance obtained by qualitative analysis | |||||||||||
| Similarity | The matching degree between the substance and the substance in the standard library in qualitative analysis, and the value is [0, 1000] | |||||||||||
| rt | Chromatographic retention time of the substance | |||||||||||
| Count | The number of times the substance was detected in all experimental groups | |||||||||||
| Mass | Material characteristics Mass charge ratio of ions | |||||||||||
| MEAN OO | The mean of the relative quantitative value of the substance in one of the experimental groups within the group comparison | |||||||||||
| MEAN XX | The mean of the relative quantitative value of the substance in the other experimental group within the group comparison | |||||||||||
| VIP | The substance in the group was compared to the OPLS-DAmodel obtained by the variable projection significance | |||||||||||
| P-value | The p-value obtained by the t-test of this substance in the group comparison, p-value = probability of hypothesis being correct but rejected = number of negative results/total number of results, is a test probability against the sample data | |||||||||||
| Q-value | The hypothesis test statistic (p-value) is the result after the correction of multiple hypothesis test. Q-value = the probability of being rejected but correct = the number of false-positive results/the number of presumed positive results. It is a test probability of the inference obtained from statistical test and the re-statistics of p-value | |||||||||||
| FOLD CHANGE | The substance in this group was compared with the multiple relationship between the two groups of experiments | |||||||||||
| LOG_FOLDCHANGE | FOLD CHANGE takes the logarithm base 2 | |||||||||||