Supplemental material - Dove Medical Press - Open Access ... Web viewSerial number mass charge ratio...

101
Supplemental material Table 1 Differential metabolites of group A and group B in positive ion mode 230.8899 2.72 0.00177 136.4±141 242.7±113.2 Serial number mass charge ratio m/zRetent ion time p Group A responsiven ess Group B responsiven ess 1 302.1447 5.44 6.12E- 13 1805.8±369. 9 903±385.4 2 271.2618 4.27 1.44E- 12 402.8±144.8 152.8±76 3 346.3317 5.43 2.71E- 10 0±0 462.9±298.9 4 116.9751 4.19 8.29E- 10 73.3±109.3 267.2±97.5 5 106.9899 16.15 9.49E- 10 1220.3±471. 9 437.6±374 6 261.1093 4.17 5.19E- 09 147.5±220.2 415.4±82.1 7 205.0849 2.8 3.82E- 08 619.1±98.2 248.5±276.5 8 106.9902 16.84 2.03E- 07 151.3±409 921.4±553.8 9 228.2327 7.23 3.28E- 07 0±0 196.5±167.1 10 249.944 16.14 6.84E- 07 0±0 32.5±28.6 11 289.1533 6.69 7.56E- 07 106.8±45.5 37.7±49.5 12 685.4363 15.5 9.11E- 07 1.5±5.3 607.5±540.7 13 102.0124 16.16 1.33E- 06 2904.4±247. 5 1774.9±1007 .8 14 271.2617 4.91 2.20E- 06 0±0 81.4±75.9 15 475.3245 2.77 3.00E- 06 0±0 220.9±209.3 16 228.2326 8.03 3.42E- 06 1411.6±354. 9 1008.1±264. 5 17 279.1593 4.65 3.75E- 06 1324.9±630. 9 725.7±287.6 18 348.2574 3.83 5.08E- 06 5±16 31.7±22.8 19 701.4952 4.91 1.37E- 05 0±0 748.8±771.9 20 158.0025 5.37 1.56E- 05 0±0 37.5±38.9 21 205.9077 16.23 2.81E- 05 0±0 40.8±44 22 279.0934 4.89 5.65E- 05 0±0 220±247.8 23 260.1005 4.05 7.07E- 05 88.4±78.1 28.7±29.5 1788.5±631.

Transcript of Supplemental material - Dove Medical Press - Open Access ... Web viewSerial number mass charge ratio...

Page 1: Supplemental material - Dove Medical Press - Open Access ... Web viewSerial number mass charge ratio (m/z) Retention time p Group A responsiveness Group B responsiveness 1 302.1447

Supplemental material

Table 1 Differential metabolites of group A and group B in positive ion mode

38

230.8899 2.72 0.00177 136.4±141 242.7±113.2

39 115.9627 16.14 0.00231 115.7±21.5 95.9±25.240 289.1409 6.28 0.00238 304±52.8 267.1±38.5

Serial number

mass charge ratio (m/z)Retention

time p Group A responsiveness

Group B responsiveness

1 302.1447 5.44 6.12E-13 1805.8±369.9 903±385.42 271.2618 4.27 1.44E-12 402.8±144.8 152.8±763 346.3317 5.43 2.71E-10 0±0 462.9±298.94 116.9751 4.19 8.29E-10 73.3±109.3 267.2±97.55 106.9899 16.15 9.49E-10 1220.3±471.9 437.6±3746 261.1093 4.17 5.19E-09 147.5±220.2 415.4±82.17 205.0849 2.8 3.82E-08 619.1±98.2 248.5±276.58 106.9902 16.84 2.03E-07 151.3±409 921.4±553.89 228.2327 7.23 3.28E-07 0±0 196.5±167.110 249.944 16.14 6.84E-07 0±0 32.5±28.611 289.1533 6.69 7.56E-07 106.8±45.5 37.7±49.512 685.4363 15.5 9.11E-07 1.5±5.3 607.5±540.713 102.0124 16.16 1.33E-06 2904.4±247.5 1774.9±1007.814 271.2617 4.91 2.20E-06 0±0 81.4±75.915 475.3245 2.77 3.00E-06 0±0 220.9±209.316 228.2326 8.03 3.42E-06 1411.6±354.9 1008.1±264.517 279.1593 4.65 3.75E-06 1324.9±630.9 725.7±287.618 348.2574 3.83 5.08E-06 5±16 31.7±22.819 701.4952 4.91 1.37E-05 0±0 748.8±771.920 158.0025 5.37 1.56E-05 0±0 37.5±38.921 205.9077 16.23 2.81E-05 0±0 40.8±4422 279.0934 4.89 5.65E-05 0±0 220±247.823 260.1005 4.05 7.07E-05 88.4±78.1 28.7±29.524 185.1145 3.79 0.00011 1788.5±631.9 1291.5±30925 122.9624 3.03 0.00015 541.8±361.1 873.9±282.726 279.0927 4.29 0.0002 748.3±206.7 505.2±25127 685.4379 16.1 0.00023 947.6±265 491±528.328 393.2249 8.07 0.00049 249.3±41 197.6±60.429 260.0959 5.31 0.00061 0±0 46±62.230 249.9413 16.14 0.00069 52.7±14 27.4±32.831 171.1488 4.04 0.00093 480.1±281.4 292.5±141.232 140.0675 16.1 0.00098 567.6±414.7 301.8±182.833 413.266 7.75 0.00101 0±0 1114.7±1574.634 588.408 4.28 0.00104 364.2±233.5 606.2±289.235 304.2634 4.41 0.00118 69.1±31.4 46.1±21.736 393.2968 7.63 0.00137 0±0 215.7±313.837 254.248 4.6 0.00174 454.7±135.4 305.2±195.5

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41 701.4931 7.19 0.00238 178.8±185 67.7±89.542 279.1589 3.16 0.00281 463.8±540.6 838.8±404.843 119.0839 5.56 0.00309 286.5±154.6 174.3±129.444 445.7939 19.1 0.00349 376.5±441.9 111.7±243.945 408.2868 8.98 0.00367 29.1±32.5 10.5±15.646 230.8883 19.46 0.0045 256.4±707.9 1032.3±1156.147 235.1688 6.93 0.00484 507±115 428.9±93.848 302.1471 6.51 0.00484 1768.4±472.2 1331.1±627.849 214.1806 4.56 0.00506 614.6±270 391.8±307.450 596.4488 8.81 0.00522 81.9±61.8 43.1±43.551 103.9544 7.68 0.00546 94.2±36.1 63.2±4452 214.2534 5.02 0.00546 456.9±131.9 332.3±183.753 309.2035 8.88 0.00565 113.1±23.6 95.2±24.154 787.6036 9.16 0.00568 220.8±334.1 56.6±93.355 239.1489 5.28 0.00592 190.2±131.4 267.6±82.356 584.5634 10.7 0.00613 117.2±70.6 67.1±65.857 185.1147 9.83 0.00678 348.3±114.5 275.8±88.458 463.8041 19.49 0.00703 183.1±254.4 44.3±136.759 261.1093 4.7 0.00705 3396.7±566.8 2981.7±572.760 217.1045 9.15 0.00737 10271.1±953.2 7572±4692.861 594.5837 9.68 0.00748 192.4±129.1 120.1±76.762 301.0767 16.15 0.00763 119.5±37.9 87.9±47.463 107.0592 12.99 0.00774 221.7±102.2 145.4±108.564 219.1729 6.37 0.00819 148.7±45.3 118.6±40.265 808.5853 9.75 0.00831 2751.5±1971.3 1639.6±1241.966 485.5045 8.41 0.0088 544.1±234.5 394.8±195.667 174.1836 3.64 0.00891 0.8±2.7 295.3±532.168 401.337 7.12 0.00897 67.7±47 38.6±37.469 354.2611 5.66 0.00947 231.2±106.5 163.2±91.270 259.0943 3.23 0.00992 2600±407.7 2345.3±338.871 185.1145 3.19 0.00996 646.8±643.8 978.4±335.772 703.5764 6.15 0.01061 77.7±110.1 22.6±53.673 245.0993 5.98 0.01062 4±19.6 123.7±221.174 334.1239 6.08 0.0108 13.8±14.4 6.2±8.575 449.4079 6.93 0.0114 136.4±68.8 98.8±44.576 491.319 3.08 0.01224 71.9±77.2 25.4±63.677 368.2553 7.54 0.01226 50.5±18 38.7±17.1

78 256.2258 8.65 0.0126 45.3±21.7 33.4±1579 270.2438 7.64 0.01276 6912.4±2698.3 5339±2105.480 242.2115 5.76 0.01278 759.3±294.5 584.6±238.181 100.9305 19.46 0.01285 864.8±329.8 573.6±489.7

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82 546.436 8 0.01297 135±98.3 77.6±77.383 172.1699 5.19 0.01331 372.6±111 310.9±79.484 618.4947 8.77 0.01351 208.6±133.7 131.6±103.485 311.3127 19 0.01422 0±0 822.4±1590.786 392.3141 8.98 0.01423 613.7±470.8 399.4±184.387 675.4229 6.56 0.01464 233.3±248.9 104.3±155.688 477.4398 7.95 0.01489 787.5±371 591±246.789 261.1305 16.12 0.01515 356.2±34 329.4±44.990 536.1634 7.72 0.01518 160±157.3 72.5±117.991 346.2721 6.99 0.01551 120.1±55 84.6±54.692 221.1175 7.3 0.01558 325.6±106.4 267.1±78.593 518.4055 7.06 0.01596 224.5±177.1 127.3±13194 185.0412 18.53 0.01598 225.3±768.4 1271.5±1969.695 262.1441 7.29 0.01625 296.3±83.9 247±71.496 203.1069 7.28 0.01659 1174.5±385.1 966.2±279.597 277.1806 7.29 0.01678 1721.6±592.9 1403.3±425.198 192.9928 3.98 0.01688 269.1±59.8 226.9±69.399 421.3763 6.04 0.0172 114.7±73.4 75.3±53.1100 391.284 6.47 0.0176 564.5±358 392±198.5101 267.0302 3.99 0.01794 786.1±164.4 675.3±180.6102 353.1625 6.14 0.01809 427.2±206.8 328.9±111.4103 705.1798 5.06 0.01809 235.4±87.6 180.7±85.5104 427.426 6.92 0.01831 150.1±95.8 103.7±55.1105 370.2717 9.26 0.02028 9±9.9 3.8±7106 198.9406 16.12 0.02121 1926.7±352.2 1619.1±570.9107 574.4701 8.82 0.02126 989.5±564.1 676.9±467.6108 138.9635 16.15 0.02138 715.4±482.1 435.1±437.1109 429.4411 6.61 0.02212 151.7±93.4 104.9±63.8110 185.0401 2.03 0.02277 140.9±65.5 189.3±86.8111 248.1053 5.21 0.02284 379.1±159.7 303.9±94.2112 200.2018 6.26 0.02322 3036±948.2 2554.5±678.7113 369.3522 16.15 0.02323 541.9±1140.5 105.3±171.7114 186.2216 4.57 0.0234 1266.6±310.8 1068.6±335.8115 318.131 7.79 0.02341 335.1±183 253±94.2116 272.2584 4.61 0.02415 2812.3±726.4 2411.3±623.4117 457.4728 7.54 0.02421 97.3±47.4 72.5±36.6118 344.3167 5.61 0.0243 210.4±133.3 138.7±109.4119 259.1697 7.29 0.02432 30.5±13 23.7±10.3120 246.861 16.15 0.02514 189.8±76.7 145.1±73.4121 382.274 7.31 0.02519 123.6±67.2 93.5±36.2122 256.2638 8.53 0.02548 268±76.4 224.2±71.2123 233.1103 4.74 0.02549 38.8±34.8 20.4±28.1

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124 476.4127 6.13 0.02593 140.1±89.8 91.4±76.5125 161.096 7.29 0.02666 580.5±185.6 486.1±140.6126 170.0947 4.71 0.02685 0±0 18.1±38.9127 214.2174 7.54 0.02695 588±239.2 463.2±191.4128 786.5967 7.03 0.02698 183.6±211.2 77±158.1129 324.1353 6.52 0.02732 146.2±73.1 110.1±52.4130 158.0017 3.99 0.02755 170.1±79.1 210.5±61.4131 354.2403 6.6 0.02777 249.5±93 204.8±63.5132 217.1568 7.29 0.02794 58.1±20.7 47.9±14.8133 291.1959 6.49 0.02827 160.1±49.8 126.8±60.7134 661.1532 5.15 0.02914 1213.6±416.8 1002.8±322.7135 338.1856 9.12 0.02918 165.3±125.3 102.2±96.1136 317.1721 5.16 0.02951 97.8±21.3 84.9±22.9137 119.0853 5.56 0.02957 84.8±137.3 166.4±142.5138 288.2542 6.75 0.02968 114.4±69.8 74.9±66.9139 284.2588 8.24 0.03046 231.7±87.2 187.3±69.6140 272.2498 7.64 0.03065 122.3±57.8 93.3±45141 725.5568 7.7 0.03069 278.2±365.3 118.4±203.8142 353.3423 6.49 0.03088 20.5±51 193.8±380.8143 219.1738 5.73 0.0314 523.8±124 459.1±105144 328.2252 6.26 0.03171 1182±425 981.4±293.4145 331.1805 6.14 0.03206 460.6±208.2 363.8±139.5146 319.2238 9.13 0.03212 0±0 49.9±111.1147 238.1436 7.29 0.03222 38.6±14.9 31.4±11148 272.2028 9.6 0.03234 35.1±20 24.9±16.3149 488.4105 6.33 0.03234 16.8±18.1 7.9±13.9150 482.234 7.48 0.03243 67.7±37.1 50.4±25.4151 324.2515 7.04 0.03271 1915.1±764.8 1540.2±581.4152 158.0014 3.27 0.03285 781.5±116.8 727.8±76.8153 268.2266 7.09 0.03286 226.1±121.4 168.2±87.4154 587.1524 6.44 0.03291 64.9±34.9 45.1±34.5155 120.0792 2.41 0.03304 8.2±19.9 25.4±35.1156 432.3875 6.07 0.03399 450.7±248.2 317±228.5157 204.1366 6.87 0.03438 26±6 22.3±6.7158 372.2015 4.39 0.03462 40.2±78.5 10.8±24.2159 392.2533 9.26 0.03518 10.7±11.7 5.1±8.8160 256.2262 6.13 0.03561 15.7±14.8 8.5±11.3161 271.2627 15.24 0.03586 2861.9±3001.9 1352.6±2487.6162 298.2749 10.12 0.03609 135.8±67.5 104.2±48.5163 769.1772 5.77 0.03665 95.2±53.3 67.3±47.8164 449.101 3.97 0.03681 1310±560.2 997.8±561165 604.4046 3.84 0.03715 143.1±43.3 117.5±47.7

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166 346.213 8.42 0.0373 12.6±9.9 7.9±7.5167 290.2464 7.51 0.03745 12.3±8.6 7.6±8.4168 419.1824 7.15 0.03772 170.7±68.1 133.9±65.5169 257.2103 6.69 0.03806 38.7±20.6 28.7±16.6170 310.235 6.61 0.03807 164.6±68.8 130.3±57.6171 426.357 9.8 0.03808 64±50.8 39.7±39.3172 356.2557 6.88 0.03814 180.9±74.9 147.3±50173 566.5487 8.98 0.03816 60.8±49.7 39.3±30.3174 163.1213 16.16 0.03849 152.6±144.2 72.3±146.4175 399.394 6.07 0.03878 176.2±108.9 126±77.9176 441.3062 8.97 0.03972 60±29.6 45.8±23.4177 245.1392 9.12 0.04004 682.3±369.8 482.8±361.2178 157.0816 7.03 0.04009 52.8±78.1 19.4±47.2179 205.0604 3.95 0.04111 11281.2±2474.1 9781.6±2916.6180 872.385 5.35 0.04113 194.4±99.6 134.8±115.1181 170.0951 7.7 0.04189 354.2±165 264.8±164.8182 809.5838 10.07 0.04197 428.5±913.1 113.6±171.3183 226.1226 5.21 0.04212 1367.1±475.4 1140.9±377.4184 100.9559 16.14 0.04248 385.5±41.4 327.2±133.4185 378.2366 3.79 0.04268 157.1±46 132.4±45.6186 244.2275 5.79 0.04298 586.6±208 486.6±170.2187 455.1999 7.58 0.04313 71.9±44.2 50.4±36.9188 374.2662 6.6 0.04324 369.5±162.1 297.9±110.9189 228.2308 8.73 0.04325 45.6±16.1 37.8±13.2190 244.2275 6.75 0.04353 153.2±62.4 122.1±55191 312.3263 5.78 0.04372 476±150.7 406.8±113.1192 403.1646 9.09 0.04412 319.5±155.9 238.4±148.5193 262.1992 2.94 0.04416 4.3±12.9 24.2±46.2194 505.4699 9.12 0.04419 123.7±70.8 93.6±44.9195 983.2022 9.07 0.04431 2109.9±817.3 1720.9±663.5196 198.1275 3.42 0.04473 1925.6±705.9 1568.6±643.1197 667.1047 7.04 0.04499 878.8±202.6 769.8±205.1198 242.0987 6.24 0.04528 18.8±23.7 9.1±13.4199 221.1177 6.68 0.0453 271.4±113.9 217.5±92.4200 472.488 9.71 0.04537 42.9±39.4 26±25.9201 300.2897 5 0.04554 694.5±188.6 608.6±141.8202 355.227 8.22 0.04576 504.2±236.9 400.5±163.8203 284.1128 7.29 0.0465 96±31.3 81.5±24.6204 359.2407 6.19 0.04684 133.6±17.7 123.4±20.2205 853.1968 5.88 0.04754 363.3±182.5 284.9±123.2206 556.4347 6.54 0.04773 62.7±33 43.6±37.9207 272.2577 5.38 0.04774 25.7±18.5 16.5±16.6

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208 413.2661 8.45 0.0478 1290.6±1383.7 600.9±1260.8209 318.299 7.03 0.04893 119.1±87.7 81.2±60.6210 439.2265 7.58 0.04916 266.1±151 205.2±88211 617.1254 5.09 0.04948 442.9±121.1 384.5±105.7212 230.2467 7.04 0.04966 200±94.7 156.9±74.2213 118.0669 2.95 0.04986 1149.3±623.9 797.6±703.1

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Table 2 Differential metabolites of group A and group B in negative ion mode

Serial number

mass charge

ratio (m/z) Retention time

pGroup A

responsivenessGroup B

responsiveness

1 289.9381 17.34 9.11E-21 0±0 170.8±592 181.8964 16.81 2.46E-13 0±0 43.9±22.93 181.8979 16.27 5.76E-13 71.6±17.2 29.6±17.94 289.937 18.62 2.19E-11 397.6±94.1 238.8±58.65 190.9289 19.98 1.32E-09 232.2±49 104.6±786 190.9284 18.48 1.65E-09 29.7±49.9 107.6±36.37 190.9273 19.45 1.93E-07 0±0 76.8±63.78 159.8608 16.28 4.63E-07 378.7±172.6 197.9±76.89 114.9873 4.47 8.07E-07 81±56.5 14.8±38.310 102.9477 16.26 9.24E-07 689.7±77.7 424.3±228.911 319.8908 16.13 3.22E-06 20.8±15.7 3.5±10.912 159.8592 16.81 3.51E-06 28.1±58.2 215.2±172.713 319.887 16.12 3.72E-06 0±0 15.5±14.814 320.8845 4.05 4.10E-06 0±0 24.4±23.515 529.4563 12.3 1.33E-05 1.4±4.8 277.4±28416 529.4616 12.32 2.90E-05 399.3±219.4 147.8±20917 164.9263 16.71 3.07E-05 0±0 737.3±798.518 233.154 15.75 4.24E-05 0±0 328.5±363.219 305.918 3.17 5.03E-05 273.6±64.5 163.4±112.220 116.9282 16.23 8.46E-05 151.6±20.7 120.6±3221 294.884 16.8 0.0001 441.8±113 318±11522 511.2864 13.12 0.00011 209±169.9 75.9±8123 102.9708 19.36 0.00014 0±0 62.7±75.124 159.8602 2.24 0.0002 0±0 65.2±80.325 355.2284 9.35 0.00028 778.3±257.9 574.1±159.426 117.9275 8.25 0.0003 0±0 52.6±66.827 353.2119 8.24 0.0004 11641.7±3763.9 8979.4±1786.928 114.9872 5.14 0.00049 0±0 95±125.829 190.9285 4.24 0.00049 0±0 6.6±8.730 401.233 9.38 0.0005 83.1±32.8 58.8±19.231 115.9206 10.19 0.00067 0±0 27.6±37.632 375.215 9.81 0.00086 22.4±25.3 6.8±8.533 119.9139 16.4 0.00087 236.3±73.3 138.3±123.734 489.2772 16.07 0.00099 206.3±145.6 111.9±67.335 340.2034 9.35 0.00103 36.8±17.4 24.1±11.536 475.2336 8.36 0.00106 461.2±168.7 339.6±11037 175.9589 19.17 0.00116 576.9±383 275.2±308.738 475.2855 11.27 0.00116 53.4±27.8 34.2±16.8

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(39 114.9876 7.74 0.00131 71.2±22.8 49.4±26

40 206.9704 3.48 0.00138 5996.6±2070 3296.2±3574.941 369.208 8.19 0.00146 219.8±96.5 157.5±50.142 114.9885 4.37 0.00164 0±0 50.5±74.843 131.915 8.36 0.00167 8.4±17.5 26.5±23.144 434.3212 15.36 0.00178 0±0 172.6±257.745 325.2183 9.54 0.00209 590±217.4 437.7±155.346 413.2155 9.19 0.00249 91.5±49.9 59.1±3147 654.31 12.49 0.0029 94±61.6 56±3548 638.3325 11.93 0.00306 148.7±107.7 87.3±47.149 511.2852 12.58 0.00308 16.9±49.9 71.5±76.950 565.2538 14.64 0.00315 44.6±45.1 13.6±33.951 486.2687 9.29 0.00332 658.3±334.8 454.2±191.152 473.2819 15.82 0.00356 1395.9±362.5 1125.4±328.653 459.2913 11.49 0.00359 1011±491.7 728.8±237.754 543.3844 14.46 0.00424 88.2±37.2 57.9±40.255 233.1551 6.93 0.00434 373.4±63.2 329.5±52.556 407.247 12.95 0.00437 96.6±43.5 64±41.457 289.9391 19.95 0.00447 0±0 22.1±36.558 450.3012 9.13 0.00453 47.3±24.4 29.1±23.159 507.2068 9.06 0.00453 245.9±107.5 185.2±5460 400.1198 9.12 0.00454 99.4±40.8 66.8±43.461 346.2738 7.47 0.00496 60.4±20.8 48.5±11.462 305.9174 5.59 0.00501 6±10.8 15.2±12.863 207.9753 19.98 0.00516 22.7±14 43.2±32.764 436.285 8.58 0.00522 91.2±34.9 68.8±25.665 464.3157 9.69 0.00546 58.8±28.4 39.8±23.166 503.1627 8.17 0.00548 32±30.8 14.8±1667 283.171 7.85 0.0066 391.2±156.6 309.7±68.968 339.2329 10.91 0.00669 275.6±237.9 463±266.569 458.2374 7.5 0.00673 246.3±113.9 183.4±62.570 804.5704 7.7 0.00678 73.1±208.3 237.9±235.571 444.2023 9.45 0.00692 19.2±19.6 8.8±9.272 247.1694 12.87 0.00698 0±0 9.7±16.973 307.2276 9.81 0.00719 35.6±34.8 18.5±11.874 363.2017 9.1 0.00725 2011.7±941 1328.8±942.975 317.1975 9.11 0.00726 3293.3±1526.6 2195±1508.576 118.9928 18.94 0.00739 84.5±15.6 67.1±28.277 497.2529 15.6 0.00765 177.1±105.9 100±107.978 224.0611 3.79 0.00791 77.9±162.7 5.4±13.579 416.237 7.66 0.00795 701±334.1 529.5±153.7

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80 519.244 11.53 0.00806 82.8±52.5 46.9±48.781 164.9261 3.82 0.0082 0±0 166.3±29782 333.2292 10.43 0.00821 1136±539.2 758.8±522.683 415.231 7.65 0.00831 2340.5±1045.5 1807.9±478.284 409.2724 9.8 0.00906 44.1±23.6 26.7±25.385 495.2572 15.64 0.00982 417±227.5 256.6±232.586 175.9608 16.11 0.00989 0±0 242.8±44587 501.3366 12.52 0.01022 228.8±156.4 154.5±59.188 102.9711 18.37 0.01055 269.3±86.5 194.6±120.3

89 339.2333 9.99 0.0109245115.4±12904.

736733.5±11804.5

90 459.1951 11.16 0.01115 267.1±35.3 222.6±78.291 364.2289 8.1 0.0116 335.4±258.1 206.5±130.792 301.1597 8.36 0.0118 57.7±28.1 43.6±14.593 379.2343 10.47 0.01277 415.8±202.4 281.3±20094 130.9653 3.65 0.01279 3081.7±1395.4 2035.6±1659.295 435.1735 8.17 0.01313 57.9±44.6 37.3±17.996 459.2814 15.62 0.01332 7528.2±3421.9 5159.6±3645.997 352.2161 7.93 0.01379 168.3±104 110.5±75.298 519.2446 14.63 0.01394 74.5±60.6 36.8±54.899 485.2767 15.97 0.01457 27.6±59.2 3.3±7.4100 933.1896 6.51 0.01495 274.2±63.7 218.3±96.7101 395.2586 8.62 0.0152 132±63.6 101.3±32.8102 391.207 11.12 0.01585 196.3±41.2 161±61.4103 297.2074 8.19 0.0166 1829.2±321.3 1608.3±357104 341.239 9.97 0.0169 1512.7±465.9 1236±409.3105 233.1528 15.12 0.0173 665.7±363.1 295.4±681106 391.2164 11.69 0.01778 243.8±112.7 169.7±119107 210.9478 5.16 0.01782 650.4±743.1 260±519.1108 831.5984 7.8 0.01792 135.8±253.5 29.9±71.8109 320.8849 19.95 0.01795 970±450.6 652.6±528.6110 830.1572 8.18 0.01901 118.9±35.5 97.1±34.2111 830.5887 11.44 0.01906 347.6±366.8 176±193.5112 535.276 11.36 0.01932 62.4±46.9 34.9±41.9113 826.562 10.53 0.01971 13.9±65.2 185.7±346.3114 329.2331 4.4 0.02177 47.9±63.9 150±205.6115 305.9186 16.97 0.02184 615.5±472.7 343±424.9116 159.8584 2.5 0.02188 115.4±68 66.2±86.8117 473.3104 9.52 0.0219 162.9±94.1 107.5±87.7118 921.149 5.83 0.02211 66.8±26.5 49.1±30.2119 131.9151 5.21 0.02231 53.8±63.2 24.4±35.5120 434.1847 8.21 0.02237 11.9±11.4 5.9±8.7

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121 367.1896 8.17 0.02281 158.2±113.9 112.7±31.5122 396.2521 7.13 0.02349 209.4±75.1 172.2±51.1123 875.2047 5.89 0.02397 522.9±162.5 434.4±135.7124 114.9887 5.14 0.0247 87.6±78.4 36.5±88.8125 132.9229 8.16 0.02471 618±388.3 400±346.1126 465.3035 14.91 0.02484 260.4±515.7 59.8±126127 418.1687 3.13 0.02493 239.7±41.1 213.4±45.5128 541.2025 15.62 0.02511 58.7±58 26.8±50.1129 854.5937 8.35 0.02538 135.8±314.9 17.2±47130 531.3464 14.78 0.02556 53.8±37.7 36.4±22131 384.0871 7.73 0.02564 381.3±41.9 353.3±49.6132 433.1808 8.2 0.02608 296±67.7 258±61.3133 460.2791 15.75 0.02631 2961.6±1352.6 2139.1±1404.6134 894.3934 5.34 0.02636 138.8±41.1 115.9±36.8135 116.928 9.22 0.02713 443.4±209 334.3±167.8136 747.5677 9.3 0.02745 932±1435.8 340.2±594.6137 308.1902 8.48 0.02784 809±397.4 610.1±295.8138 338.2445 3.13 0.02809 284.3±76 238.3±79.9139 547.3422 13.26 0.02858 61.9±45 42.2±24.4140 508.3206 11.86 0.02975 27.8±35.1 13.2±16.1141 553.2698 14.87 0.02981 92.5±53.1 61.4±54142 697.2735 11.81 0.02989 95.7±34 76.4±32.6143 747.5677 6.93 0.03043 357.6±578.4 122±247.9144 892.1948 5.9 0.03068 78.1±31.7 59.8±31.7145 134.9869 16.21 0.03085 2633.9±755.8 2202.5±743.5146 306.9359 16.35 0.03166 431.1±239.3 310±191.5147 596.2677 12.08 0.03186 104.1±85.5 70.4±32.7148 830.594 7.18 0.0334 410.6±904.8 88.6±114149 323.2209 11.11 0.03377 539.2±138.1 445.3±181150 459.2792 9.11 0.03407 100.2±61 65.2±62.3151 228.9601 19.43 0.03477 562.1±463.4 300.1±466.4152 747.5706 11.2 0.03515 1010.6±1689.1 340.7±728.2153 103.9187 16.33 0.03547 385.8±62 327.1±124154 527.1823 11.16 0.03661 284.7±33.1 245.9±84.6155 424.249 7.24 0.03757 138.4±74.8 108.6±34.7156 439.283 8.74 0.03785 30±14.5 23.1±11.1157 299.2014 8.17 0.04084 141.5±107.5 102.5±32.9158 515.353 12.21 0.04112 1130.3±516.8 912.6±305.7159 311.2021 8 0.04129 54.3±14.8 46.9±12.8160 132.9233 7.13 0.04155 830.8±393.7 1056.8±429.6161 595.1702 11.19 0.04267 209.6±27.4 181.2±63.4162 102.9713 19.89 0.0439 74.2±73.5 45.9±34.2

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163 420.1693 3.11 0.04434 240.6±41.7 211.7±60.4164 117.9289 7.65 0.04455 141.7±179.9 72.5±83.7165 977.2166 6.6 0.04457 488.4±128.4 425±111.9166 830.5977 6.66 0.04502 231.6±419.5 77.1±162.5167 250.1457 7.95 0.04549 1605.5±427.4 1348.8±513.1168 853.1611 5.81 0.04584 273.2±78.5 233.9±71169 273.0805 4.37 0.04657 60±124.7 15.8±40.4170 277.1813 6.08 0.04692 769.5±110.4 715.3±97.4171 535.2728 12.68 0.04704 37.2±32 22.3±25.5172 585.3279 12.34 0.04707 36.1±85.1 114.5±176.6173 635.4046 9.13 0.04863 544.7±304.4 381.5±315.1

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Table 3 Differential metabolites of group C and group D in positive ion mode

Serial number

mass charge

ratio (m/z) Retention time

pGroup C

responsivenessGroup D

responsiveness

1 356.2771 4.16 0.00029 1122.7±154.5 794.1±197.62 808.5853 9.75 0.00045 3907.2±2355.3 535±534.33 288.254 4.8 0.0005 7022±1330.8 4649.2±1302.14 685.4379 16.1 0.0005 845.2±339 219.1±361.15 194.116 4.79 0.0006 194.7±69.8 92.6±32.66 186.2216 4.57 0.00062 1431.8±263 850.4±412.17 290.2696 4.13 0.00068 48271±6394.9 36761.5±6935.28 272.2584 4.61 0.00075 3113.1±642 2078.6±531.49 254.2472 4.6 0.001 509.5±122.9 320±97.710 244.2275 5.79 0.00116 681.8±196.7 388.6±147.611 284.1128 7.29 0.00128 110.6±27.1 68.6±2412 262.1441 7.29 0.00136 333.6±69.6 206±91.813 309.2035 8.88 0.00137 118.7±24.8 80±22.814 244.2275 6.75 0.00172 180.1±63.4 86.5±53.715 277.1806 7.29 0.00172 1979.1±529.4 1196.8±44916 100.9559 16.14 0.0018 259.1±35.5 188.4±5717 230.2483 4.53 0.00184 23090.8±4420.8 15994.3±4762.818 217.1568 7.29 0.00189 66.4±18.1 40.4±14.619 258.2802 4.93 0.0019 4664.2±982.4 3198.7±887.520 242.2833 4.96 0.00196 232.4±100.1 81.7±93.621 161.096 7.29 0.00206 656.6±159.6 420±145.822 203.1069 7.28 0.00207 1323.5±339.5 833.5±286.823 334.2953 4.54 0.00235 15456.8±2455.6 11480.1±2879.324 200.2018 6.26 0.00249 3537.7±873.1 2265.2±810.825 202.2165 4.12 0.00257 3344±813.5 2162.4±757.326 294.2407 7.09 0.00269 552.8±148.7 335.1±143.627 266.2092 5.81 0.00273 379.5±104.8 237.7±80.328 449.4079 6.93 0.00292 166.2±66.1 78.8±4829 256.2258 8.65 0.00303 54.4±22.6 25.7±14.130 270.2438 7.64 0.00307 7970.4±2542.5 4417.7±2261.631 284.2586 8.26 0.00333 265.8±79 153±76.832 594.5837 9.68 0.00338 251.2±128.4 90.3±80.133 814.5781 4.88 0.00351 124.6±121.3 476.8±358.734 115.9634 16.14 0.00362 117.9±16.1 83.7±32.235 214.2174 7.54 0.00363 689.8±246.7 375.7±171.836 252.1588 7.94 0.0039 92.8±26.2 57±24

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37 282.2417 7.56 0.00414 31.8±12.4 13.9±13.138 260.2586 4.27 0.00417 1017.3±177.7 752.7±204.139 331.2954 4.4 0.00417 93.3±33.1 47.2±32.740 242.2115 5.76 0.00424 877.8±281.1 488.3±274.641 322.2364 7.54 0.0043 39±14.9 19.2±1342 485.5045 8.41 0.00441 636.7±215.6 333.6±221.343 272.2492 7.65 0.00442 147.1±50.5 81.1±42.544 316.2854 5.46 0.00489 721.2±234.9 441.8±144.645 127.0152 3.98 0.00509 1237.7±263.6 644.3±607.346 477.4398 7.95 0.00509 945.6±366.2 480.7±298.847 268.2266 7.09 0.0054 275.6±122.9 128.9±8248 403.1646 9.09 0.00562 361.3±160.1 156±140.749 300.29 8.8 0.00568 168.7±51.3 107.7±34.750 432.3875 6.07 0.00582 514±255.8 197.7±203.651 260.2225 4.29 0.00633 723.3±189 448.3±233.752 505.4699 9.12 0.00651 155.4±75.3 69.3±46.853 287.1258 4.82 0.00653 109.9±28 73.6±26.954 238.1436 7.29 0.00666 44.7±12.3 27.9±13.555 442.4255 7.3 0.00684 103.7±44.8 49.6±35.756 325.2921 9 0.00691 100.2±50.7 43.3±3057 308.2202 7.09 0.00703 351.9±156.6 169.7±110.558 491.32 3.83 0.00715 176.6±45.5 118.2±4459 272.259 7.12 0.00792 595.9±199 353.7±173.960 280.2257 7.04 0.00804 2127.9±700.9 1303±554.661 341.1943 9.09 0.00804 533.4±255.6 225.9±21762 283.1687 4.95 0.00823 450±147.1 290.8±82.363 457.4728 7.54 0.00833 115.9±46.1 58.7±43.464 354.231 5.06 0.00837 371.7±98.5 253.1±85.665 179.0833 9.11 0.00844 210±94 88.6±98.366 354.2618 5.66 0.00846 265.6±109.1 131.3±101.367 291.1956 6.48 0.00892 172.9±39.6 119.8±45.968 357.3125 7.42 0.00909 719.9±319.5 362.5±224.369 574.4701 8.82 0.00927 1163.9±579.9 466.7±524.570 185.1149 3.77 0.0093 1846.2±516.5 1276.1±348.871 310.236 5.78 0.00947 524.2±159.9 330.2±149.872 258.2438 7.03 0.00958 4176.1±1640.5 2364.8±1131.173 232.2275 3.88 0.00967 524.7±125 366.3±131.674 228.2308 8.73 0.00968 52.1±14.8 34.1±14.275 324.2515 7.04 0.00987 2205.8±794.1 1311.1±602.776 242.2469 9.33 0.0099 54.8±27.5 25±17.777 421.3767 6.04 0.00994 145.8±74.8 60.8±58.678 324.2138 6.13 0.01044 62.7±33 27±22.1

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79 100.9305 19.46 0.01067 883.2±314.3 470.6±370.480 300.2897 5 0.01071 768±168.6 557.8±177.681 342.1938 6.91 0.01083 113±44 63.4±35.582 192.9928 3.98 0.01088 273.6±52.6 202.2±66.683 378.2366 3.79 0.01091 172±47.5 114.7±46.684 244.2279 4.76 0.01157 284±106 167.7±80.285 427.426 6.92 0.01158 189±100.9 80.4±70.986 286.2748 8.62 0.01187 317.9±132.5 177.5±88.887 618.4947 8.77 0.01229 240.5±130.3 89.1±121.688 267.0302 3.99 0.01239 802.9±141.7 615.3±178.589 189.0753 9.11 0.01273 152.9±80.5 61.9±70.790 338.2665 6.85 0.0128 250.3±71 168.4±66.291 604.4046 3.84 0.01289 158.1±46.2 105.5±41.792 304.2851 4.34 0.01297 480.8±133.6 348.5±67.393 230.2467 7.04 0.01307 232.9±99.4 128.8±6894 310.235 6.61 0.01328 186.8±73 106.5±6095 103.9543 6.83 0.01363 34.9±22.4 58.3±15.596 245.1392 9.12 0.01372 788±391.9 333.1±382.697 185.1135 9.92 0.01526 370.3±104.8 257.3±87.698 228.2326 8.03 0.01574 1445.2±294.2 1097±318.899 378.3211 4.5 0.01647 1796.5±377.9 1339.9±436.2100 429.4411 6.61 0.0165 185±103.6 79±75.6101 246.8611 16.14 0.01668 179±55.6 115.1±57.6102 246.243 4.09 0.01684 48746.1±8344.5 39078.3±8847.3103 238.1972 8.86 0.01727 76.5±24.3 48.1±26.5104 368.2553 7.54 0.01796 46.6±16.3 30.7±10.6105 786.5967 7.03 0.01798 316±267.7 67.2±128106 205.0604 3.95 0.01848 11519±2428.6 8664.7±2760.2107 235.1688 6.93 0.01858 520.4±91.9 403.6±122.2108 312.2506 4.12 0.01863 1829.4±286.7 1473.7±365.1109 194.1173 6.3 0.01874 651.6±147.3 929.1±352110 204.1367 6.85 0.01885 27±5.7 21±5111 262.2383 3.69 0.01886 36390±8103.4 27848.2±7075.4112 296.2205 5.75 0.01887 184±70.8 103.4±75.4113 574.4327 8.43 0.0189 91.9±34.4 50.4±41.7114 244.264 4.62 0.01892 3263.1±394.5 2638.4±749.9115 399.394 6.07 0.01963 219.6±116 102.3±90.8116 240.2325 7.06 0.01989 271.4±126.2 144.9±96.9117 286.3106 4.9 0.02 2377.6±560 1704.1±688118 298.2742 10.12 0.02002 165.7±66.5 90.5±71.8119 221.1164 5.18 0.02028 117.1±21.8 94.5±18.8120 161.0947 5.18 0.02036 124.4±25.7 96.9±24.3

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121 344.3158 8.48 0.0206 108±34.1 73.8±26.6122 259.1673 7.29 0.02128 34.5±14.4 20.6±10.2123 306.2637 3.71 0.02129 11640.1±2676 8836.4±2448.4124 366.2977 8.49 0.02177 347.5±101.5 242.3±91.2125 317.2326 10.44 0.02201 133.4±84.1 49.5±67.5126 288.254 5.62 0.02226 356.3±157.8 205.2±110127 328.2456 3.71 0.02244 1136.1±261.2 879±203.1128 302.2697 7.06 0.02271 815±368.2 459.1±270.2129 387.132 3.96 0.023 2875±810.7 1958.9±924.2130 408.2868 8.98 0.02344 36.3±36.8 5.4±8.3131 216.195 3.72 0.02351 269.2±108.8 163.7±83132 218.2118 3.63 0.02394 53157.8±11900.6 41317±9986.7133 282.2794 5.02 0.0246 62.2±23.9 41.1±12.2134 256.2638 8.53 0.02498 267.5±65.4 199.2±64.6135 526.4107 6.41 0.02562 233.9±69.3 149.3±95.8136 174.1855 3.65 0.02585 2816.9±923.1 1765.6±1121.5137 200.2004 3.62 0.02609 516.4±121.3 391.4±118.2138 184.1141 4.09 0.02656 287.7±68.8 216.9±67.5139 392.3141 8.98 0.02797 742.3±592.4 261.9±141.4140 194.1159 4.09 0.02855 130.6±31.8 169.2±45.1141 830.5733 3.84 0.02872 102.7±40.2 63.5±35.4142 301.1415 16.15 0.02892 5978.8±778.5 5137±889.7143 236.162 4.25 0.02931 14±13.7 27.6±12.9144 272.2028 9.6 0.02945 41.9±21 20.6±20.8145 717.4883 3.84 0.02956 155.4±49.7 109.2±38.4146 348.2872 9.27 0.02971 127.8±52.2 81.9±32147 413.2659 4.27 0.03071 442.2±91.2 334.6±126.6148 217.1055 5.29 0.03177 1326±259.2 921.7±554.2149 269.2587 8.33 0.0325 260.3±87.8 173.9±85.2150 449.1013 3.98 0.0326 1373.8±582.9 831.8±480.6

151 274.2751 4.48 0.03281 223651±26225.9192284.9±38155.

2152 391.284 6.47 0.03296 653.6±355.4 360.2±168.7153 353.2676 10.08 0.03325 2988.5±701.2 2281.4±730.6154 130.9658 16.36 0.03346 1092.8±185 763.8±473.8155 292.2599 10.19 0.0338 42.7±20.4 25.4±11.5156 385.317 3.12 0.0341 1626.6±208.9 1381.2±298.8157 221.1172 6.69 0.03424 304.5±110.9 204±87.1158 312.3263 5.78 0.03438 508.2±143.8 365.7±146.2159 246.1274 6.02 0.03442 22.2±11.4 11.1±11160 316.2833 6.85 0.03443 81.6±39.3 47.3±26.7161 276.2807 4.5 0.03513 5524.2±872.8 4559±1132.3

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162 205.0849 2.8 0.03537 604.5±71.9 438.7±253.1163 286.3104 5.47 0.03568 930.6±235.3 693.4±253.7164 232.1905 3.74 0.03614 866.8±292.2 584.7±285.7165 221.1175 7.3 0.03706 357.3±108 256.2±98.6166 102.0897 3.23 0.03787 426.5±184.1 217.8±257.5167 701.4952 4.1 0.03899 1379.4±443.1 991.7±339.1168 202.1806 4.78 0.03924 351.5±176.2 198.5±131.8169 550.4801 8.7 0.03931 187.1±69.6 113.2±87.7170 140.0663 9.15 0.041 32.8±32.2 212.7±297.8171 780.549 10.54 0.0417 470.4±566.7 2007.1±2479.5172 314.3415 5.31 0.04228 625.9±155.9 457.8±208.2173 224.1611 4.83 0.04267 160.1±74.6 94.5±62174 257.2103 6.69 0.04414 46.7±21.8 26.9±20.3175 203.0914 7.72 0.04425 390.5±110.1 279.8±131176 107.0586 12.11 0.04442 100.2±67.6 185.2±118.5177 172.1699 5.19 0.04465 405.7±155.2 283.4±84.9178 174.1843 4.85 0.04505 59.5±32.8 31.4±26179 371.1529 7.7 0.04519 208.3±48.2 156.1±66.8180 568.566 9.16 0.04642 1866.4±664.5 1176.3±861.7

181 318.3009 4.54 0.04681111882.4±14434.

495853.2±21174.9

182 415.23 8.58 0.04713 121.7±56.2 59±83.2183 410.3246 8.53 0.04759 160.9±78.6 97.8±51.4184 375.2507 10.01 0.04767 289.2±111.1 200.4±71185 114.9554 16.14 0.04781 20.2±29.3 45.7±25.7186 277.1803 5.18 0.04831 404.6±80.9 327.4±89.8187 350.2902 3.75 0.04832 1399.2±359 1062.6±383.8188 239.147 5.26 0.04919 83.9±90.3 156.8±62.3189 171.0674 7.72 0.04965 624.2±123.3 495.6±166.1190 319.2847 8.8 0.04968 124.3±34.3 92.9±35.2

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Table 4 Differential metabolites of group C and group D in negative ion mode

Serial number

mass charge

ratio (m/z) Retention time

pGroup C

responsivenessGroup D

responsiveness

1 190.9289 19.98 1.72E-07 235.9±43.3 72.5±54.92 102.971 18.96 6.97E-07 272.8±52.5 75.4±78.43 116.9282 16.26 2.38E-06 683.7±70.3 365.2±156.14 250.1454 7.93 0.00055 1778.8±402.7 1157.3±247.65 275.904 16.37 0.00071 193±19.3 151.5±29.66 391.2158 11.67 0.00104 279.1±120.1 100.4±85.37 363.203 9.11 0.00115 2215.6±964.3 821±636.28 317.1975 9.11 0.00155 3649.9±1565.3 1429.2±11039 220.1472 5.18 0.00156 75.3±18.8 41.3±24.810 418.1687 3.13 0.00167 252.9±31.9 193.7±44.811 391.2075 11.16 0.00168 205.8±46.1 126.7±55.912 459.2814 15.62 0.00213 8142.3±3342.5 3559.5±2393.113 459.1951 11.16 0.00256 272.6±39.6 184±80.214 422.2132 4.79 0.00264 218.3±55.1 142.1±44.715 354.2265 4.79 0.00268 684.7±178.8 444.2±132.716 499.3416 3.28 0.00278 805.1±130.6 603.7±144.417 323.2209 11.11 0.0028 577.1±153.3 357.4±141.818 401.2409 3.12 0.00307 1032.6±156.1 782.7±191.619 400.1188 9.11 0.00313 102±39.8 45.5±37.220 338.2455 3.12 0.00354 311.6±66.6 210.9±75.521 420.1691 3.12 0.00367 253.4±34.6 197.1±45.922 384.2499 3.11 0.00427 4619.7±906.5 3273.8±1042.623 737.4174 11.11 0.00449 309.9±64.3 229.1±47.824 307.1169 5.55 0.00473 343.3±85.2 239.1±58.225 290.9355 17.46 0.00497 41.7±48.9 109.3±50.226 294.884 16.8 0.00502 497.9±84.5 317.8±180.827 286.2398 4.79 0.00509 2265.3±648.8 1473.1±459.928 497.3347 3.27 0.00577 15476±2454.2 11978.2±2827.729 333.2298 10.45 0.00625 1192.8±581.8 511.4±39230 805.4062 11.16 0.0063 215.8±33.6 168.9±38

31 836.5894 3.49 0.00692130529.4±25148.

3101756.1±16327.3

32 610.4214 3.38 0.00709 43425.4±7434.7 33502.5±7914.433 324.1063 5.54 0.00718 103.4±27.1 68.2±27.234 379.2343 10.47 0.00734 436±222.5 182.5±147.735 118.9928 18.94 0.00752 85.6±22.3 55.7±24.536 236.1049 5.19 0.00769 551.3±120.3 415.6±78.737 723.5038 3.44 0.00824 140641.4±25374. 111299.6±19123.2

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238 195.1396 5.55 0.00874 812.7±257 506.9±219.539 384.0871 7.73 0.00899 397±39 348.7±37.7 40 239.1292 5.55 0.00932 1026.6±326.7 681.6±176.541 314.2713 5.46 0.00951 225.3±63 152.8±50.542 329.2334 4.42 0.00958 40.5±65.2 127.9±77.643 678.4074 3.36 0.0096 3277.6±451.8 2691.9±50044 374.2223 3.11 0.00981 2944.3±568.1 2181.9±681.745 527.1823 11.16 0.00985 288.7±38.7 204.3±96.946 893.133 3.71 0.00986 214.4±42.5 164.5±36.947 612.4244 3.37 0.00996 3388.4±613.5 2624.1±627.348 361.162 5.18 0.01077 1221.9±206.8 985.6±172.549 376.2188 3.11 0.01079 994±202.7 731.4±233.350 323.0748 4.55 0.01099 448.1±63.2 535.8±83.751 894.3934 5.34 0.01112 156.8±37.6 116.2±26.152 233.1551 6.93 0.0133 386.7±50.2 323.7±5853 207.9767 18.46 0.01427 82.6±36.2 148.9±78.554 293.176 5.18 0.01436 4405.6±817.1 3524.4±659.555 669.2791 15.17 0.01452 392.3±175.3 189.1±174.856 230.1759 3.74 0.01468 294.5±122.4 170.3±79.357 853.5791 3.51 0.01486 6756.2±647.9 6045±56358 102.9482 18.57 0.01487 48±21.5 26.8±12.259 378.2852 4.51 0.01497 223±61.2 152.5±60.760 514.3237 3.27 0.01515 6609.6±877.5 5611.9±848.761 409.1442 5.17 0.01519 123.8±26.5 86.9±38.862 308.1902 8.48 0.01541 951±436.8 527.2±233.163 369.208 8.18 0.01566 226±83.7 143.1±50.864 190.9284 17.69 0.0162 120.3±36.5 78.7±36.465 497.1392 5.18 0.01621 218.6±42.9 174.2±32.566 298.1632 3.74 0.01647 85.3±36 48.5±26.167 407.247 12.95 0.01682 102.4±53.1 51±30.668 190.9291 3.69 0.01686 10.2±10 21.6±10.369 354.2401 3.81 0.01746 98.7±34.3 62.1±29.870 409.3116 13.7 0.01762 286.8±84.7 206.6±44.771 949.6735 3.53 0.01802 39665.2±11552.6 29372.6±3461.772 619.1708 10.22 0.01857 121.2±87.2 40±43.973 352.2161 7.93 0.01919 202.7±114.3 95.9±61.374 439.1766 4.56 0.02003 49.6±15.6 70.6±23.575 334.2597 4.53 0.02106 126.5±39.2 85.5±35.776 565.3216 3.27 0.0211 672.2±114.4 536.1±140.477 527.4461 14.38 0.02133 1000.1±355.6 614.8±355.978 305.9186 16.83 0.02135 778±465.8 294.5±415.7

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79 347.171 7.71 0.02171 4772±1213.1 3526.1±1059.580 487.3048 3.27 0.02375 6925.1±1283.7 5594.6±1207.681 420.2034 5.06 0.02379 122.7±38.5 85.4±29.482 159.8584 2.5 0.02443 103.2±55.6 34.8±76.683 241.1553 3.78 0.02559 78.7±27.8 50.3±26.184 275.0536 4.11 0.0257 171.4±16.8 153.5±17.685 489.303 3.27 0.02592 2519.5±455.8 2049.4±442.786 355.1576 11.11 0.0263 78±39.7 42.1±2587 904.5793 3.5 0.0265 8259.1±982.8 7302.2±820.188 627.4098 3.37 0.02661 6056.2±582 5436.3±619.489 489.2529 13.7 0.02778 213.1±92.1 128.8±63.890 205.1598 7.7 0.02855 699.7±189.7 522.3±145.691 388.2276 4.49 0.02877 351.3±59.6 298±38.692 352.2167 5.06 0.02883 538.7±163.7 383.3±13393 780.0463 3.71 0.02902 125.8±21.9 101.2±27.294 432.2548 4.53 0.02905 227.1±39.6 190.7±28.795 429.1508 5.17 0.02966 365.2±65.6 302.7±54.796 595.1702 11.19 0.03006 206.7±33.5 154.2±71.197 939.6403 3.54 0.0311 4264.7±1128.8 3070.8±1270.298 669.4308 11.11 0.03307 335.6±96.4 246.4±79.199 966.6606 3.54 0.03465 2041.4±486.8 1660.7±140.4100 791.4932 3.45 0.03492 8500.5±980.6 7541.2±973.2101 295.0798 4.55 0.03611 108.4±18.1 126.9±20.3102 293.0645 4.09 0.03941 487.9±47.2 440.5±53103 301.1657 7.71 0.04002 4494.3±1118.9 3434.7±1103.1104 661.1172 5.14 0.04294 707.1±149.6 558.5±171.1105 309.0942 4.79 0.04306 143.9±55.1 85.1±72.7106 725.4926 12.72 0.04328 68±22.3 49.1±16.4107 247.1693 6.94 0.04339 68.4±14.6 53.9±16.6108 531.2542 3.26 0.04395 671.9±47.9 614.7±77.2109 203.083 2.8 0.04406 100.6±118.4 14.5±19.3110 283.2645 11.86 0.04457 581.3±100.2 762.5±282.8111 464.0971 4.1 0.04599 126.1±27.5 99.5±30.8112 873.3936 11.16 0.04607 154.8±26.8 118.7±52.3113 401.2316 9.38 0.0469 76.9±26.5 53.9±22.7114 271.228 7.36 0.04699 80.5±26.5 58.1±21.1115 702.3493 4.98 0.0491 146.4±33.2 117.8±28.8

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Table 5 Differential metabolites of group E and group F in positive ion mode

Serial number

mass charge

ratio (m/z)Retention time

pGroup E

responsivenessGroup F

responsiveness

1 279.1593 4.65 1.45E-15 1724.8±444.2 723.9±292.12 701.4952 4.91 3.42E-14 41.2±206 1415.2±6733 279.1589 3.16 1.03E-13 37.3±186.3 852.6±395.84 249.944 16.14 7.39E-13 0±0 44±24.25 302.1447 5.44 5.36E-12 1935.8±224.8 1064.5±472.96 249.9413 16.14 8.74E-12 58.3±9.2 12.3±26.17 185.1147 9.83 9.55E-12 18.2±43.6 254.3±135.28 596.4488 8.81 3.78E-11 105.4±47 26.1±30.59 254.248 4.6 2.27E-10 510.1±93.2 337.2±83.910 476.4127 6.13 3.61E-10 181.3±56.7 62.3±64.311 185.1145 3.79 3.83E-10 2089.1±512.4 1292.2±327.712 256.2258 8.65 4.05E-10 53.6±17 27.4±10.613 308.2202 7.09 5.15E-10 372.8±112.3 179.1±92.914 205.9077 16.23 7.35E-10 0±0 60.4±41.215 618.4947 8.77 9.91E-10 261.1±93.6 94±86.116 214.2174 7.54 1.16E-09 690.6±180.2 390.5±14717 432.3875 6.07 1.21E-09 568.5±162.9 233.8±190.318 268.2266 7.09 1.42E-09 276.4±87 132.7±70.919 116.9751 4.19 1.49E-09 0±0 178.4±124.820 242.2115 5.76 1.54E-09 875.1±212.3 501.6±195.721 270.2438 7.64 1.81E-09 7947.7±2046.9 4597±1665.222 483.2734 15.54 1.97E-09 462.3±181 151.6±162.223 574.4701 8.82 2.06E-09 1224.7±399.1 509.5±38724 171.1488 4.04 2.40E-09 611.4±219.8 285.5±146.725 272.2498 7.64 2.77E-09 145.9±40.1 79.6±34.326 449.4079 6.93 2.87E-09 159.9±53.6 81.9±34.627 477.4398 7.95 3.15E-09 919.3±277.3 496.6±202.428 401.337 7.12 3.16E-09 84.8±35.8 26.3±30.329 244.2275 6.75 3.29E-09 181.7±49.2 104.6±38.230 244.2275 5.79 3.74E-09 678.2±153.5 422±136.331 403.1646 9.09 4.14E-09 394.2±86.3 185.7±133.832 272.2584 4.61 4.42E-09 3115.9±520.8 2194.8±517.933 338.1856 9.12 4.77E-09 215.8±94.6 66.4±7734 230.8899 2.72 5.15E-09 20.6±83.5 224.5±132.735 189.0753 9.11 5.58E-09 168.1±45.8 70.4±61.136 302.2697 7.06 7.14E-09 843.8±250.4 456.3±201.337 294.2398 7.1 7.30E-09 572.1±146.3 351.2±111.938 317.2326 10.44 7.35E-09 140.3±49.6 51.2±52.2

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39 357.3125 7.42 7.48E-09 747.9±231.7 382.2±194.6 40 286.2748 8.62 7.53E-09 316.9±94.9 177.1±6941 546.436 8 8.12E-09 170.6±72.6 51.9±65.542 242.2469 9.33 8.25E-09 54.2±20.1 25.9±13.243 245.1392 9.12 9.38E-09 854.1±232.6 370.2±308.544 242.2833 4.96 9.96E-09 230.2±76.4 101.5±73.845 284.2588 8.24 1.06E-08 266.7±70.6 162.5±5346 427.426 6.92 1.12E-08 181.5±73.9 81.3±45.447 324.2515 7.04 1.23E-08 2215.5±540.1 1327.1±50748 272.259 7.12 1.30E-08 622.5±172.4 368.6±131.249 301.2019 9.12 1.35E-08 4911.2±1384.8 1934.5±1955.950 341.1945 9.12 1.40E-08 622.5±175.4 280.7±216.751 258.2438 7.03 1.41E-08 4226.6±1196.1 2439.7±944.852 505.4699 9.12 2.45E-08 149.7±54.7 75.2±36.853 289.1533 6.69 2.73E-08 81.7±60.5 10±26.254 378.2366 3.79 2.77E-08 178±31.9 117.6±39.355 240.2325 7.06 3.61E-08 277.4±88.2 135.7±85.656 179.0833 9.11 3.74E-08 231.3±53.2 100.8±93.657 230.2467 7.04 4.07E-08 238.4±75.3 130.4±59.758 330.1954 9.13 4.12E-08 42±24.9 8.2±17.459 518.4055 7.06 4.49E-08 283.6±134 84.7±114.760 322.2349 7.53 5.10E-08 40.6±15 20.6±10.461 491.32 3.83 5.80E-08 183±33.9 122.9±39.762 282.2417 7.56 6.64E-08 32.4±11.8 16.3±8.763 266.2094 5.8 6.99E-08 382.2±79.3 253.9±81.564 163.1213 16.16 8.17E-08 231±184.4 26±73.265 421.3763 6.04 8.75E-08 138.4±63.6 58.2±40.166 338.2665 6.85 9.13E-08 262.7±57.9 173.2±56.267 185.1145 3.19 1.04E-07 299.8±558 1009.7±368.168 256.2262 6.13 1.11E-07 21±12.8 4.7±8.569 472.488 9.71 1.15E-07 56.7±35.7 16.3±16.570 415.2303 8.58 1.23E-07 134.6±37.1 60±54.171 404.3871 7.12 1.26E-07 134.9±61.1 58.4±39.772 566.5487 8.98 1.30E-07 77.1±38.4 27.7±26.773 338.2304 6.84 1.42E-07 61.3±26.9 22.6±23.874 258.2789 4.94 1.55E-07 4658.2±879.5 3367±81275 342.1938 6.91 1.76E-07 115.9±33.3 66.1±32.176 261.1093 4.17 1.96E-07 168.3±232.1 416.6±91.777 399.394 6.07 1.97E-07 213.7±88.3 99.3±6578 230.2482 4.52 2.12E-07 23307.8±3485 17010.2±4543.779 102.0124 16.16 2.19E-07 2833.4±212.6 1619.9±1019.880 280.2257 7.04 2.21E-07 2218.6±631.2 1367.4±511.3

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81 310.235 6.61 4.06E-07 189.2±55.1 112.7±49.782 279.0927 4.29 4.22E-07 708.6±262.4 392.1±177.283 309.2035 8.88 4.24E-07 120.1±24.8 89.8±17.284 214.1806 4.56 4.86E-07 701.8±211.6 405.3±197.185 216.195 3.72 5.53E-07 274±76.6 167.8±70.886 331.2954 4.38 5.82E-07 96.6±37 50.9±27.287 272.2577 5.38 5.83E-07 33.9±17.6 11.4±1488 298.2749 10.12 5.85E-07 157.5±53.4 88.7±43.289 310.236 5.78 6.12E-07 530.6±106.6 340.9±145.690 352.282 8.71 6.38E-07 182.2±59 104.7±5091 230.2121 5.62 6.45E-07 338.2±107.3 181.4±109.892 217.1045 9.15 6.64E-07 0±0 5741.6±5151.693 391.284 6.47 7.64E-07 727.9±324.2 366.9±190.394 202.2165 4.12 9.26E-07 3289.6±612 2291.9±76095 429.4411 6.61 9.54E-07 178.2±79.8 85.8±53.696 324.2133 6.13 1.05E-06 68±31.7 30.5±22.697 296.2205 5.75 1.23E-06 185.1±46.1 106.4±62.298 457.4728 7.54 1.47E-06 111.3±40.7 62.4±31.199 244.2274 4.75 1.47E-06 286.1±82.9 163±92.8100 287.1258 4.82 1.49E-06 106±23.5 75.9±20.6101 300.2897 5 1.79E-06 754.5±144.9 565.7±132.8102 288.2542 6.75 3.08E-06 138.7±56.1 66.8±52.5103 594.5837 9.68 3.46E-06 218.2±107.3 100.7±73.7104 272.2028 9.6 4.02E-06 41±16.8 20.6±14.5105 288.254 5.62 4.09E-06 361.2±122.7 214.3±104.1106 186.2216 4.57 4.47E-06 1367.8±249.1 993.6±308.8107 260.1005 4.05 5.12E-06 117.6±89.9 37.2±31.7108 339.2627 6.32 5.42E-06 46.5±18.7 22.3±18.8109 279.0934 4.89 5.42E-06 33.1±165.5 277.7±203.4110 300.2902 8.78 5.57E-06 176.1±57.8 116.9±35.7111 319.2123 9.12 5.86E-06 231±208.6 38.7±90.5112 202.1806 4.78 6.10E-06 344.2±136 197.2±97.5113 260.0959 5.31 6.18E-06 0±0 70.6±71.1114 685.4363 15.5 6.50E-06 24.8±124.1 585.3±556.3115 288.254 4.8 6.91E-06 6647.4±1317.6 4937.5±1355.8116 224.1611 4.83 7.24E-06 160.2±57.3 94.2±48117 830.5733 3.84 7.96E-06 107.3±30.8 63.3±37.1118 217.1048 8.52 8.08E-06 10084.5±771.9 4522.4±5644.4119 316.2854 5.46 8.39E-06 699.8±250.2 462.5±131.3120 214.2534 5.02 8.96E-06 497.4±106.5 360±111.1121 717.4883 3.84 9.05E-06 156.5±37.4 108.8±38.4122 366.2977 8.49 1.10E-05 359.5±106.3 250±73.6

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123 286.3105 5.47 1.12E-05 935.8±212.9 687.5±191124 259.1697 7.29 1.21E-05 33.3±10 20.5±10.6125 200.2018 6.26 1.44E-05 3257.1±786.5 2392.2±649.2126 348.2574 3.83 1.89E-05 47.6±14.4 24.3±22.1127 582.4214 3.83 1.91E-05 51±21 21.6±26.5128 291.1959 6.49 2.46E-05 177.9±49.6 116.1±53.8129 701.4958 4 2.46E-05 0±0 494.6±539.4130 174.1843 4.85 2.55E-05 56.9±25.9 30.8±19.2131 221.1175 7.3 2.72E-05 342±85.5 244.1±81.6132 100.9559 16.14 2.73E-05 404.4±56.3 276.9±132.3133 353.3418 3.98 3.00E-05 0±0 109±120.4134 268.1889 4.87 3.01E-05 231.7±80.1 139.6±77.9135 260.2223 4.27 3.02E-05 650.5±178.5 440.6±180.2136 604.4046 3.84 3.34E-05 155.4±48.4 104.7±40.2137 228.2308 8.73 3.36E-05 49.7±13.7 34.8±12.3138 260.0983 8.15 4.05E-05 232.4±308.8 563.8±274.7139 354.2314 5.04 4.16E-05 360.1±88.7 257.8±89.8140 246.861 16.15 4.37E-05 194.7±67.9 125.3±55.5141 354.2611 5.66 4.77E-05 224.3±63.3 136.5±85.5142 277.1806 7.29 4.84E-05 1836.7±478.5 1321.2±437.9143 174.1855 3.65 5.35E-05 2831.3±735.2 1952.8±808.3144 378.3208 4.5 5.42E-05 1886.2±456.8 1390.9±428.7145 316.2833 6.85 5.43E-05 75.9±34.2 44.7±22.2146 334.2951 4.52 5.46E-05 15475.8±3167.1 12124.1±2847.5147 301.1418 9.12 5.98E-05 17317.9±1204.4 10425.5±7896.8148 526.4107 6.41 6.27E-05 227±60.1 153.9±69149 312.3263 5.78 6.63E-05 510.9±120.7 381.4±113.8150 304.2483 5.49 6.69E-05 192±49.5 108.2±88.7151 158.0014 3.27 7.31E-05 848.9±141.3 729.2±79.3152 344.3158 8.48 7.44E-05 108.5±36.5 76.3±23.3153 978.2465 9.1 7.77E-05 202.6±81.4 116.8±75.9154 262.1441 7.29 8.02E-05 312.1±68 234.9±72155 119.0839 5.56 8.55E-05 319.2±140.7 175.2±125.8156 382.274 7.31 8.85E-05 144.8±63.6 91.4±36.3157 107.0592 12.99 9.70E-05 46.9±63.2 149.9±111.6158 217.1568 7.29 0.00012 62±17.1 45±15.1159 227.1732 3.24 0.00012 0±0 225.8±273.6160 228.2326 8.03 0.00013 1456.3±341.7 1141.5±264.1161 329.2799 5.67 0.00013 53.2±37.8 18.9±28.3162 410.3241 8.52 0.00013 163.4±87.8 95.3±41.6163 983.2022 9.07 0.00013 2291.7±672 1587.5±659.2164 170.0964 5.27 0.00014 129.9±54.8 76.7±47.5

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165 428.4098 6.91 0.00014 193.1±100.1 112.9±54.9166 485.5045 8.41 0.00014 577±233.3 368.5±171.1167 138.9635 16.15 0.00016 875.4±389 422.8±462.5168 118.0669 2.95 1.70E-04 1206.2±513.1 552.6±698.1169 161.096 7.29 1.70E-04 614.1±147.3 460.8±147.5170 203.1069 7.28 0.00019 1232.9±306.1 921.1±300171 238.1436 7.29 2.10E-04 41.3±11.8 29.4±11.6172 290.2691 4.54 0.00021 46601.9±7739.9 38851.5±7480.3173 252.1584 7.92 0.00023 96.3±21.8 65.8±34.5174 436.3578 7.74 0.00024 542.4±590.9 127.4±216.9175 408.2868 8.98 2.50E-04 31.3±32.6 8.6±11.9176 158.0017 3.99 0.00026 120.8±102.7 208±74.4177 574.4327 8.43 0.00032 86.5±33.3 52.4±35.3178 269.2587 8.33 0.00033 254.3±84.7 181.4±65.5179 584.5634 10.7 4.00E-04 126.8±64.3 61.6±68.9180 346.3317 5.43 0.00042 327.5±365.1 577±149.1181 284.1128 7.29 0.00045 101.7±25.3 77.2±25.7182 194.1159 4.09 0.00057 117±68.3 164.8±34.2183 369.3516 8.98 0.00057 206.3±266.6 38.5±73.4184 470.3475 5.18 0.00058 49.4±34.7 22.3±24185 442.4245 7.25 0.0007 115.7±93.4 56.9±30186 599.1162 7.02 0.00084 8362.3±2157.4 6452.9±2058.1187 234.2065 3.69 0.00095 4893.5±1641.6 3458.5±1560.8188 505.316 4.4 0.00095 71.9±18.3 53.9±21.1189 392.3141 8.98 0.00096 650±458 369.1±150.9190 344.3167 5.61 0.00098 194.5±143.5 92.2±89.1191 356.2532 3.79 0.00098 149.9±59.5 94.9±62.4192 308.2185 8.42 0.00099 43.1±32.3 18.4±23.9193 332.2771 4.51 0.00099 349.5±75.5 250.4±128.7194 232.1905 3.74 0.00105 817.1±266.5 586.4±253.3195 408.3089 10.82 0.00106 85.1±71 39.7±31.2196 235.1688 6.93 0.00112 510.4±108.6 422.3±92.7197 230.8883 19.46 0.00118 155.5±554.8 988.1±1131.2198 172.1699 5.19 0.0012 383.1±121.1 285.8±102.8199 779.1958 7.52 1.22E-03 49.8±25.6 26.1±27.7200 458.3472 8.16 1.34E-03 0±0 27.9±41.3201 657.0773 7.03 1.46E-03 522.1±139.9 411.8±118.9202 348.2872 9.27 0.00161 143.2±55 98.5±50.2203 594.1598 7.05 0.00169 12108±2746.5 9629.2±3018.4204 170.0947 4.71 0.00174 0±0 28.7±43.6205 278.2323 3.71 0.00183 3819.8±1358.5 2688.9±1325.7206 144.1383 4.42 0.00186 265.1±99.2 177.9±106.2

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207 458.3023 9.99 0.00188 24.6±19.3 9.8±16.3208 362.3039 11.05 0.00192 65.5±22.9 48.1±19.2209 568.566 9.1 0.00195 1767.3±709.6 1022.9±988.4210 577.1343 7.04 2.05E-03 30471.5±7738.8 23459.7±8816.2211 374.3028 9.28 0.00218 485.9±158.9 384.9±88.9212 391.2845 7.03 0.00218 127.5±273.1 324.7±211.1213 221.1177 6.68 0.00219 286.8±112.2 208.1±81.4214 456.4421 7.9 0.00221 2770.4±847.9 2041.4±901.6215 621.1598 5.17 0.00222 261.3±82.4 192.8±82.9216 225.1163 6.87 0.00226 23.3±10.3 13.7±12.5217 193.0488 5.78 2.32E-03 11.1±17.4 25.9±18.5218 271.2619 10.19 0.00234 111.5±174.6 233.3±127.1219 366.278 9.35 2.45E-03 13.5±10.5 6±8.2220 791.163 8.15 2.49E-03 7734±2452.6 5737.3±2435.2221 835.1808 7.76 0.00264 1712.8±526.7 1266.4±564.2222 110.0067 16.13 0.00266 53.1±45.6 20.9±35.4223 769.1778 8.16 0.00266 1095.2±380.6 784±385.1224 786.2047 8.15 2.81E-03 1196.5±444.3 848.1±423.4225 277.1802 6.68 0.00288 213.8±91.1 152.9±63.3226 604.0946 7.04 0.00296 219±233.8 84.5±101.8227 370.2717 9.26 3.00E-03 9.6±10 3.2±6.4228 110.0067 19.02 3.12E-03 2736.8±168.1 1901.4±1345.5229 118.0671 4 0.00317 74.6±173.4 324.1±379.1230 271.2618 4.27 0.00341 262.5±113.9 180.2±97.3231 368.2907 11.89 0.00347 73.8±30 53.8±21.8232 853.1968 5.88 0.00356 382.3±155.8 269.9±134.1233 396.2891 7.29 0.00366 62±32.2 39.5±26.2234 522.4497 7.85 0.00396 81.6±48.7 50.5±33 235 480.2852 9.99 0.0043 26.9±19.8 13.6±15.3236 703.4554 14.69 0.0044 455.8±212.7 297.7±201.9237 602.2963 4.43 0.00445 171.3±72.4 113.4±77.7238 103.9544 7.68 0.00451 91.8±39.4 62.4±37.7239 884.1719 7.01 0.00457 1999.1±731.2 1392.8±834.5240 227.1759 3.27 0.00469 11.3±11.4 213.2±342.6241 319.2847 8.8 0.00475 124.9±34 98.5±35.3242 404.0658 8.17 0.00485 440.7±137.5 332.5±146.3243 274.2378 5.78 0.00489 26.1±23.2 11±17.5244 398.3041 5.14 4.90E-03 23.1±22.9 9.4±13.9245 566.4396 6.83 0.0049 42.8±47.1 15.8±25.3246 122.9624 3.03 0.00501 502.1±415.1 759.8±282.4247 357.2408 9.34 0.00506 15±10.5 6.8±10.9248 322.2578 3.72 0.00519 866.4±317.6 626.2±321

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249 809.1697 5.8 0.00523 192.4±76.6 129.9±87.4250 213.1946 5.3 0.00571 17.7±16 7.3±12.4251 596.1081 7.07 0.00574 2735.1±644.7 2182.3±805.4252 317.1721 5.16 0.006 99.5±18.7 83.4±23.6253 304.2851 4.34 6.05E-03 473.3±120.1 388.5±111.7254 261.1104 9.11 0.00613 3080.9±1800.4 1752.7±1808.8255 325.292 12.12 0.00631 1533.8±1475.6 587.5±1151.9256 398.1254 7.7 0.00631 65.6±72.7 24.3±42.2257 705.1798 5.06 0.00638 239±77.6 176.8±89.6258 384.2871 11.05 0.0064 103.1±37 79±29.9259 292.2599 10.19 0.0067 43.9±18.1 31.7±15.8260 588.1175 7 0.0067 514.1±134.4 407.5±154.1261 685.4379 16.1 0.00681 882.9±306.7 545.2±546.1262 244.264 4.62 0.007 3160.6±526.5 2737.1±621.9263 661.0866 7.02 0.00707 1403.8±232.1 1207.2±296.2264 420.2866 10.74 7.08E-03 278.2±113.7 206.6±88.2265 282.204 4.82 0.0072 45.1±25.1 24.3±30.9266 661.1532 5.15 0.00732 1236.4±342.3 981.7±362.1267 621.1614 6.83 0.00754 1096.6±360.3 820.7±401.2268 350.29 3.73 0.00771 1315.5±369.7 1073.5±317269 102.9532 16.14 0.00777 13.7±6 8.7±7.6270 336.3266 8.87 0.0078 140.6±120 81.2±44271 314.3413 6.32 8.10E-03 163.5±54.2 124.5±55.4272 638.1898 6.81 8.12E-03 534.7±186 397.7±197.8273 113.9619 6.85 8.18E-03 25.5±40.6 6.4±10.9274 306.2637 3.71 0.0082 10896±2609.9 9182.7±2284.6275 393.2968 7.63 8.30E-03 210.2±240.9 446.2±383.6276 368.2553 7.54 0.00832 50.6±18.8 38.3±16.3277 769.1772 5.77 0.00845 98.7±51.5 64.2±47.1278 372.2872 10.16 0.00859 62±28.6 44.1±22.9279 339.7667 3.27 0.00866 74.3±53.6 37.1±52.6280 256.2638 8.53 0.00884 272.3±75.2 221.6±70.4281 384.2902 4.74 0.00912 83.5±180 203.8±167.1282 451.3033 9.48 0.00919 228.2±110.7 151.4±109.9283 376.3187 8.78 0.0093 335.8±135.1 265±71.1284 140.0663 8.14 0.00938 506.4±338.1 270.2±341.1285 104.1065 8.01 0.00944 236.8±367.3 60.2±133.9286 325.2346 8.29 0.00951 162.5±44.8 125±59.5287 257.2103 6.69 0.00954 40±20.8 27.6±15.5288 512.505 9.76 0.00954 9407.6±3172.4 7071.2±3495.2289 780.5538 11.09 0.00966 3.8±11.4 225.7±414290 118.0681 3.03 0.00976 308.7±567.7 760.6±705.6

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291 352.2841 7.79 0.00991 32.4±33 13±24.1292 388.2593 9.36 0.01004 31.8±17.2 21.8±12.4293 368.2582 7.03 0.01012 942.2±377 732.1±246.7294 332.2585 6.6 0.0102 295.2±101.6 236.4±72.9295 260.2586 4.27 0.01022 935.5±177.2 802.1±205296 484.4729 8.79 0.01058 3293.7±998.3 2530.9±1188.6297 446.1448 5.6 0.01084 387.2±136.2 287.6±152.7298 114.0907 3.38 0.0109 1862.3±370.6 1530.1±553.1299 398.3046 10.74 0.01101 163.2±76.2 118.6±57.5300 556.5319 9.59 0.01103 1269.2±433.7 958.7±472.3301 346.3111 11.9 0.01111 52.3±26.3 37±19.6302 454.2775 8.78 0.01119 45.9±63.5 16.7±20303 419.1824 7.15 0.01133 172.8±61.2 129.3±66.2304 363.3107 8.79 0.01174 201.7±107.6 142.8±71305 348.2898 7.46 1.18E-02 489.3±170.2 388.2±135.4306 206.1754 2.32 0.01184 184.5±100.9 263.6±127.7307 615.0909 7.05 0.01242 1621±297.1 1402.9±345.2308 221.1164 5.18 0.01256 108.6±21.5 94.2±21.9309 318.131 7.79 1.28E-02 338±174.2 248.9±98.7310 506.4544 8.78 1.33E-02 753.1±221.9 591.1±259.7311 310.2358 4.79 0.01335 144.6±46 108.3±60.4312 672.4881 9.86 1.36E-02 7.4±13.4 31.2±45.4313 249.1814 5.9 0.01368 89.7±24.3 70.4±32.4314 338.2951 10.4 0.014 46.7±20.3 32.9±21.4315 308.2585 8.41 0.01404 1438.5±517.6 1134.5±424.7316 675.2637 11.78 1.41E-02 58.9±32.7 36.2±35.9317 110.008 16.12 1.41E-02 32.5±41.6 59.6±41.2318 283.1757 9.35 1.42E-02 246.8±199.8 141.6±128.4319 284.2954 5.12 0.01425 677.4±163.9 550.1±212.8320 850.401 5.37 0.01436 655.3±203.8 508.9±237321 337.1049 9.2 1.46E-02 272.4±322.7 106.9±195.3322 794.339 4.78 0.0146 157.7±87.5 106.1±73323 369.3516 8.2 0.01465 861.8±872.2 454±383.8324 460.2507 4.93 0.01467 1923.1±1050.3 1155.5±1258.7325 353.2679 10.07 0.01485 2894±743.7 2469.2±587326 434.3015 11.05 1.50E-02 45.1±20.6 32.9±17.6327 550.48 8.71 0.01515 182.1±90.5 128±78.4328 478.3194 5.97 0.0153 91.4±176.5 17.3±34329 577.1329 5.09 0.01549 520.3±128.9 436.4±131330 308.0435 7.03 0.01585 3798.9±476.5 3427.4±636.8331 314.5306 7.07 0.01595 57.8±92.5 17.3±29.9332 326.3054 9.27 0.01627 103.9±39.4 77.3±43.1

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333 760.5847 5.84 0.01629 8.3±26.2 89.2±161.7334 239.2371 10.08 1.64E-02 214.7±51.3 178.6±59.6335 321.2402 8.43 1.65E-02 98.8±76.6 61.4±42.4336 119.0853 5.56 0.01651 65.5±135.8 155.3±143.9337 429.118 5.59 0.01668 3649±1154.5 2874.7±1252.9338 578.5139 9.6 0.01668 787.8±231.2 609.2±308.4339 400.3775 5.58 0.01687 1851.8±342.2 1555.1±533.2340 356.2762 4.14 0.0169 1002.6±234.3 854.1±232.8341 369.3522 16.15 0.01704 545.7±1114.4 91±160.1342 562.481 7.41 0.01761 59.1±22.4 40.6±33343 312.2284 8.63 0.01767 30.1±15 21.7±12.1344 181.0246 2.02 0.01771 118.6±64.1 84.3±46.5345 120.0804 2.4 1.81E-02 316.4±380.6 132.4±214.1346 324.2897 8.1 0.01828 319.4±132.2 248.6±97.4347 436.2822 7.29 0.01832 156.1±84 112.7±57.1348 174.1274 3.65 1.85E-02 1692.6±1919.2 4322.5±5183.2349 297.241 8.82 1.86E-02 624±146.1 522.8±171350 480.3453 6.88 0.01865 113.8±222.8 21.4±56.9351 451.2091 5.9 0.01866 605.8±166.4 507.1±151.5352 341.2668 8.8 0.0189 692±330.8 522.2±224353 256.2632 4.69 0.01906 2748±510.8 2328.3±761.9354 549.341 4.41 0.01928 75.1±27.6 54±37.4355 330.0563 6.83 1.93E-02 244.8±82.1 189.8±92.2356 494.3841 5.14 1.94E-02 171.2±119 109.8±82.4357 325.2915 18.68 0.02 1231.8±1694.8 2454.4±2142.8358 284.2956 10.81 0.02024 160.9±58.3 125.2±57.5359 675.4229 6.56 0.02092 195.8±214.1 90.8±134.8360 385.0912 5.49 0.02102 755.4±223.5 609.9±245.8361 370.3314 8.95 0.02103 50±26.5 36.3±19.1362 612.1721 5.12 0.02112 214.2±63.2 177.7±56.9363 639.1697 5.13 0.02124 94.7±48.6 65.9±45.8364 250.2011 2.42 2.17E-02 68.4±50.5 104±63365 337.2166 8.73 0.02189 36.1±29 21.2±20.7366 590.55 9.39 2.19E-02 493±219.8 339.3±271.8367 238.1966 8.81 2.20E-02 69.1±21.6 54.6±25368 350.3051 10.16 2.22E-02 75.7±34.4 56.1±30.6369 225.1263 8.35 2.23E-02 22.4±12.4 15.9±9.2370 397.1998 10.21 0.02235 46.6±23.8 32.3±23.6371 415.2359 10.03 0.02235 219±46.1 191.6±44.5372 482.3605 6.84 0.02237 85.6±172.8 15.1±51.3373 336.2898 10.4 2.27E-02 1846.2±687.3 1440.4±658.7374 353.3423 6.49 0.02288 0±0 178.1±380.3

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375 228.1952 4.82 0.02373 114.9±23.6 99.9±25.7376 404.2561 7.3 0.0241 175±74.8 137.2±53.9377 354.2403 6.6 0.02412 249.3±90.4 203.7±64.6378 262.2383 3.69 0.02451 33736±7703.3 29367.5±7040.9379 313.2734 10.09 0.02457 2423.9±588.1 2040.1±676.9380 352.3402 7.05 0.02461 1119.3±1450.8 444±854.6381 342.2641 3.11 0.02465 749.8±349.9 564.1±282.2382 580.2915 6.49 0.0247 297.7±466.8 98.2±203.2383 331.2843 10.08 0.02484 754.4±188.1 634±210.9384 163.0738 7.29 0.02526 107.6±33.6 88±32.8385 807.1341 8.16 0.0255 664.2±202.7 538.4±218.2386 286.0297 7.08 0.02551 451.9±58.9 406.6±86.2387 322.2747 8.95 2.57E-02 2113±784.3 1704.8±618388 162.1468 2.19 0.02592 64.5±35.9 90±47.4389 806.5737 10.08 0.02597 78.6±158.2 382.2±650.4390 358.2716 10.4 0.02608 1673.4±592.9 1335.9±556.6391 267.6476 6.5 0.02617 875.8±1351 313.6±543.1392 194.1151 5.39 0.02686 267.7±150.4 203.6±69393 511.2295 5.16 0.0269 85.2±21.9 69.9±28.6394 424.2633 10.06 0.02731 155.7±94.3 110.4±63.5395 346.213 8.42 0.02742 12.6±9.9 7.7±7.4396 297.5233 4.25 2.75E-02 53.8±71.2 21.5±41.4397 356.2557 6.88 0.02766 181.4±74.6 146.1±48.9398 396.3223 13.5 0.02812 60.4±33.3 44.4±22.7399 260.0956 4.18 0.02838 344.5±84.6 402±107.5400 531.2728 10.21 0.02841 524.3±208.7 396.8±226401 200.1989 3.63 2.89E-02 473.5±106 398.1±144402 315.1819 4.32 0.02906 199.2±43.2 169.9±55.2403 228.2319 4.28 2.93E-02 370.5±57.2 322.8±95.7404 256.2642 9.59 0.02935 1400.3±371.5 1145.2±482.5405 138.0655 15.43 0.02939 1345.2±1333.4 597.5±1267.3406 281.1381 5.55 0.02943 919.8±233 780.1±247.6407 391.2903 3.83 2.95E-02 224.2±109.4 150.2±139.5408 370.3547 7.45 0.02951 698.5±1313.6 205.7±253.2409 534.4867 9.76 0.03025 2136.4±652.3 1681.7±871.8410 372.2713 3.75 0.03029 233.5±76.8 192.4±67.8411 375.2507 10.01 0.0305 297.2±119.5 235.9±97.6412 376.3535 14.63 0.03113 41±24.1 27.6±23413 393.2971 8.95 0.03114 624.2±346.8 418.6±368.2414 233.0781 9.18 0.03115 124.6±83.8 69.9±103.1415 432.2399 5.54 0.03168 1751.1±537.2 1449.5±524.5416 301.1418 7.71 0.03184 44887.1±3905.6 49026.5±8834

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417 410.3041 10.1 0.03202 14.8±16.3 6.4±13.5418 429.117 4.48 0.03212 425.4±124.7 349.9±138.3419 232.2275 3.88 3.22E-02 470±108.1 406±115.8420 261.1308 9.11 3.22E-02 4483.2±2326.8 2999.3±2789.1421 832.5854 9.12 3.23E-02 84.8±184.3 536.4±1016.1422 283.2616 19.17 3.23E-02 357±994.6 1032.6±1305.5423 426.3753 8.55 3.28E-02 83.2±37.1 60.2±42.7424 279.1589 14.97 0.03278 1813.5±2286.1 726.1±1635425 522.3563 6.84 0.03294 2162.7±3964.7 604.4±1479.5426 103.0524 2.39 0.03297 25±32.4 10.9±18.2427 429.2274 5.92 0.03299 130±43 104.9±45.6428 782.563 10.31 0.0333 0±0 227.3±520.2429 346.2715 8.09 0.03344 461.5±176.1 375.3±135.4430 784.5821 10.09 0.03357 80.4±170 736.9±1498.7431 117.069 4.69 0.03364 10.9±10.5 5.9±7.9432 374.3402 13.52 0.03386 21.2±17.4 13.1±12.1433 431.316 6.81 0.0339 97.9±193.7 20.8±79.7434 130.9656 16.41 0.03425 1060.8±169.8 866.8±424.4435 586.3089 6.53 0.03429 285.2±466.6 94.8±217.1436 344.2565 8.95 3.45E-02 1121.4±432.3 911.9±329.2437 528.4987 8.7 0.03451 383.3±192.2 283.4±168.7438 382.2744 8.24 0.03467 171.7±74.3 135.7±57439 140.0671 7.64 0.03474 46.9±132 183.4±295.9440 358.2717 9.57 0.03477 706.3±265 559.4±261.2441 325.2918 15.97 3.48E-02 845.7±1135.9 1957.8±2394442 606.5441 10.7 0.03524 86.3±47.9 56.2±57.8443 185.1142 19.83 0.03542 2916.3±3395.9 1333.9±2398.8444 508.3758 7.2 0.0355 55.5±122.9 9.3±37.5445 643.1429 6.82 0.03553 4555.7±1339.3 3743.3±1533.7446 163.0391 4.59 0.03556 837.7±948.3 1753.7±1977.9447 278.2436 9.96 0.03567 43.6±17.5 33.9±17.3448 876.1796 7.05 3.60E-02 209.6±187.9 110.3±172.5449 279.1595 9.06 0.03605 184.3±214.7 75.7±181.7450 280.6551 6.83 0.03639 183.3±345.4 48.9±136.2451 305.158 2.85 3.70E-02 2116.9±643.4 2654.2±1140.8452 334.2739 9.94 0.03715 78.7±48.5 50.8±51.9453 758.5684 5.54 0.03731 12.6±46.9 167.8±361.2

454 415.2132 5.56 0.03744 41390.4±9944.735539.2±11046.

9455 595.1439 5.11 3.76E-02 206.2±59.6 173.1±60.6456 306.243 6.27 0.03766 1546.2±507.6 1300±402.3457 328.2327 2.36 0.03771 342.6±130.3 454±238.7

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458 161.0947 5.18 0.03782 114.9±23.4 101.9±23.9459 254.173 4.25 0.03783 51.3±35 34±28.9460 725.5568 10.84 0.03834 610.4±1207.7 139.7±506461 330.2769 10.87 0.03902 122.9±50.9 96.7±46.1462 290.2483 8.63 0.03906 140.3±57.1 112.3±47.2463 364.3208 10.74 3.91E-02 93.2±37.7 73.9±33.7464 391.2838 8.96 0.03922 137.5±200.7 48.7±131.4465 270.2791 10.19 0.03945 746.1±259.5 605.8±255.9466 382.3075 12.23 0.03955 31.1±17.5 23.3±11.5467 336.29 9.56 0.03961 1016.1±370.3 813.6±372.8468 334.3088 13.83 0.03999 230.5±88.6 189.1±66.6469 348.3236 12.56 0.04058 62.3±27.7 49.3±21.2470 544.3374 6.84 0.04127 740±1473.5 192.4±516.4471 500.4675 7.82 0.04179 294.7±174.8 214.6±128.5472 568.3381 6.03 0.04187 113.9±274.3 17.8±54.2473 328.2456 3.71 4.20E-02 1041.9±229.1 914.2±242.7474 236.162 4.25 0.04261 17.6±15.7 25.6±14.3475 608.324 7.97 0.04275 95±211.8 19±60.4

476 496.3402 6.49 0.0429312094.9±22539.

43835±7607.1

477 579.2757 8.81 0.04345 130.6±64.8 97.1±61.5478 379.2243 9.35 0.04352 78.9±37.9 60.8±31.1479 393.1976 10.22 0.04355 23.8±23.2 12.4±19.9480 308.2948 9.97 0.04363 92.8±41.5 69.7±44.2481 515.3964 10.08 0.04373 148.7±57.8 118.9±54.5482 106.9407 19.46 0.04377 715.8±266.3 536.4±376483 617.1254 5.09 0.04405 442.6±104.5 383.1±116.2484 480.3026 3.54 0.0443 517.6±156.9 434.4±156485 124.9638 3.02 0.04459 4±10.2 12.2±18.2486 328.3205 5.01 0.04473 107.3±28.5 92.1±28.7487 339.2321 4.93 0.04474 1271.6±620.3 937±637.1488 166.0855 2.4 0.04489 73.5±99 33.7±53.5489 356.3522 5.57 4.51E-02 4101.9±711.3 3589.2±1105.7490 687.1696 6.84 0.04509 291.3±113.8 227±126491 518.3218 6.48 0.04512 3900.5±7099.3 1270.5±2733.8492 407.3362 8.52 0.04527 46.8±51.6 26.7±25.1493 360.3225 13.38 0.04557 102±57.1 77.3±38.2494 281.6626 7.98 0.04604 333.2±697 88.7±185.2495 667.1047 7.04 0.04629 876.2±179.7 768.6±219496 397.2007 7.17 0.04658 68.5±21 53.6±32.1497 279.0928 17.61 0.04727 3716.7±4309.4 1738.7±3366.2498 552.347 6.33 4.74E-02 129.3±72.1 95.1±60.1

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499 524.3726 7.96 4.75E-02 3871.2±8273.7 1011.7±2002.3500 368.3153 7.82 0.04892 29.5±23.7 18.4±19.6501 360.3227 14.86 0.04932 80.7±38.4 62.2±33.6

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Table 6 Differential metabolites of group E and group F in negative ion mode

Serial number

mass charge

ratio (m/z)Retention time

pGroup E

responsivenessGroup F

responsiveness

1 190.9289 19.98 3.12E-22 197.2±36.6 59±34.22 116.9282 16.26 3.05E-21 698.8±83.6 310±115.23 294.884 16.8 2.64E-20 11±54.8 284.9±88.24 190.9273 19.45 1.03E-17 0±0 110±45.45 181.8979 16.27 5.88E-14 72.9±16.7 28.5±18.26 289.937 18.62 3.03E-13 316.2±73 161.1±587 181.8964 16.81 4.63E-12 0±0 42±24.38 190.9284 2.23 4.26E-11 0±0 49.4±30.79 114.9876 7.74 3.81E-10 64±22.2 20±2310 118.9928 18.94 5.85E-10 93.3±21.9 52.5±2111 565.2538 14.64 1.77E-08 51.9±48.4 0.3±1.712 460.2791 15.75 5.90E-08 3486.1±876.5 1502.9±1428.313 495.2572 15.64 1.18E-07 492.5±153.8 185.5±221.614 102.9708 19.36 2.00E-07 0±0 94.8±80.515 190.9279 3.13 2.22E-07 56.3±21 22.1±23.616 116.928 9.22 2.77E-07 523.3±188.7 251.4±176.417 459.2814 15.62 3.35E-07 8807.1±2233.4 4504.8±3263.918 317.1975 9.11 3.40E-07 3766.7±1006.3 1845.5±1454.619 190.9285 4.24 4.46E-07 0±0 11.5±10.220 305.918 3.17 4.89E-07 257.1±70.1 114.8±112.121 497.2529 15.6 5.27E-07 209.8±86.1 75.8±95.922 391.2164 11.69 5.57E-07 284.1±79.1 142.1±108.623 363.2017 9.1 6.37E-07 2292.4±634.8 1120.7±912.324 459.2792 9.11 1.18E-06 122.7±50.1 49±54.325 333.2292 10.43 1.42E-06 1286.6±353 646.8±521.426 131.9154 8.36 1.46E-06 0±0 28.4±26.527 535.2728 12.68 1.89E-06 47.7±27.5 14.8±21.528 114.9888 7.73 3.11E-06 0±0 31.8±30.829 352.2161 7.93 4.24E-06 193.1±76.6 92.2±77.230 379.2343 10.47 4.38E-06 471.7±126.2 239.9±204.431 535.276 11.36 4.98E-06 75.4±42.1 25.3±3632 114.933 7.21 8.37E-06 0±0 30.4±31.133 635.4046 9.13 1.04E-05 647.6±219.1 307.5±303.634 119.9152 16.34 1.28E-05 10.6±52.9 138.7±127.235 300.218 7.1 1.69E-05 239±94.9 113.3±109.436 422.2132 4.79 2.62E-05 205.6±45.7 148.2±50.637 387.0707 4.79 2.89E-05 87.5±18 47.4±41.738 119.9139 16.4 2.91E-05 230.6±92 98.1±125.1

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39 354.2265 4.79 3.09E-05 645.7±139.8 468±160.140 286.2398 4.79 3.37E-05 2134.2±516.3 1529.3±524.341 102.9711 18.37 4.39E-05 247.6±109.5 135.5±9042 159.8608 16.28 4.98E-05 417.7±134.8 221.1±195.443 247.1689 15.65 6.89E-05 0±0 45.8±53.444 308.1902 8.48 7.23E-05 890.5±295.4 549.6±317.345 407.247 12.95 0.0001 102.2±32.8 59.3±43.946 400.1198 9.12 0.00011 105±33 62.1±44.247 667.4648 10.43 0.00011 162.4±63.4 79.6±8548 519.244 11.53 0.00012 90.8±49.5 40.6±45.249 271.2264 8.53 0.00015 28.6±11.7 19.1±6.850 298.1632 3.74 0.00015 77.9±30 49.8±24.651 440.3101 3.79 0.00015 56±16.3 35.3±21.652 337.0905 4.79 0.00016 582.8±111.5 378±236.353 378.286 4.53 0.00016 228±70 158.4±64.654 230.1759 3.74 0.00017 268±101.5 176.3±78.155 241.1553 3.78 0.00017 77.9±20.2 52.6±26.856 159.8592 16.81 0.00018 0±0 108.1±13557 190.9284 18.48 0.00021 79.4±37.2 117.9±37.858 621.1291 7.04 0.00021 327.7±120.8 206.9±116.259 949.6695 3.53 0.00021 38097.2±9967.2 28488.8±9022.860 309.0942 4.79 0.00023 152.2±31.1 95.5±67.561 339.2329 10.91 0.00023 85.8±128.9 345.5±313.762 250.1457 7.95 0.0003 1722.6±369.5 1281.8±487.263 132.9218 9.27 0.00032 239.7±151.2 113.2±11064 247.1694 12.87 0.00033 0±0 14.1±18.565 409.3116 13.7 0.00033 301.1±69.3 229±75.666 519.2448 10.27 0.00035 64.4±58.8 21.1±30.767 354.2401 3.81 0.00039 94.1±25.8 65.2±3268 190.9283 16.75 0.00041 0±0 39.1±52.169 280.1572 5.94 0.00045 115.9±43.3 69.4±51.570 467.207 4.8 0.00045 82.5±32.5 44.4±43.671 966.6631 3.55 0.00047 2036.7±432.8 1665.7±353.772 621.1851 11.41 0.0005 112.3±61.1 59.5±51.473 297.2425 8.19 0.00054 27.9±34.9 6±8.874 102.9477 16.23 0.00058 153.5±24.2 128.3±28.475 941.6427 3.55 0.00059 1910.3±494.2 1496.2±400.776 296.1516 3.88 0.00063 80.4±29.9 53.5±2877 939.644 3.54 0.00063 4212.4±1023.4 3394.6±760.878 195.1396 5.55 0.0007 761.6±213.6 582.9±177.979 950.1731 3.7 0.0007 208.5±50.9 166.9±40.480 103.9187 16.33 0.00071 389.9±48.4 295.4±126

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81 334.26 4.54 0.00085 127.9±41.5 91.1±39.782 239.1292 5.55 0.00091 949.7±277.2 723.5±230.983 252.1275 4.55 0.00091 160.9±71.4 95.9±72.584 420.2048 5.03 0.00098 116.4±28.3 83.7±4185 369.208 8.19 0.00103 219.6±94.4 156±49.986 305.9193 6.11 0.00134 2.5±5.5 9.3±987 307.1166 5.53 0.00134 321.5±78.2 255.8±73.6

88 836.5894 3.49 0.00135123045.3±25285.

9103682.1±19964.

189 258.2077 4.28 0.0016 179.7±49.1 136.4±51.590 352.2167 5.06 0.00165 512.3±123.8 388.4±157.891 619.1702 10.23 0.00165 120.8±72.1 65±60.692 163.9868 16.2 0.00193 0.7±2.6 6.4±8.593 175.9608 16.11 0.00201 0±0 283.7±438.194 187.0965 3.74 0.00201 139.7±44.9 110.9±25.195 233.1551 6.93 0.00204 374.5±55.5 327.6±56.696 541.2025 15.62 0.00222 64.5±65.5 22±39.297 802.5579 6.92 0.00225 27±71.3 481.1±70798 611.097 7.03 0.00232 129.5±73.9 73.3±64.199 339.2317 11.57 0.00233 0±0 22.2±34.8100 320.8838 16.37 0.00245 0±0 175.5±276.7101 593.129 5.13 0.00276 2774.8±669.7 2216.6±704.2102 304.9128 4.11 0.00279 202.7±1013.4 2018.9±2784103 164.0713 2.39 0.00296 58±75.3 16.6±25.7104 977.2166 6.6 0.00305 503.9±141 412.9±91.4105 314.2713 5.46 0.00309 205.2±66.2 146.3±78.4106 689.1733 11.41 0.00312 94.4±45.2 57.7±46.6107 737.4174 11.11 0.00321 302±66.4 252.6±59.2108 355.1576 11.11 0.00329 72.6±36.5 48.7±25109 725.4943 12.72 0.00336 65.2±20 51±16.4110 657.5045 12.74 0.00381 115.5±41.9 86.5±33.5111 219.174 9.96 0.00392 0±0 48.9±81.3112 206.9704 3.48 0.00393 4445.6±3447.3 1938.7±3073.4113 130.9653 3.65 0.00404 2783.7±1571.1 1525±1661.6114 921.149 5.83 0.00407 68.9±26.5 47.2±29.1115 324.1063 5.54 0.00408 96.2±26.5 76±25.9116 875.2047 5.89 0.00431 534.2±160.8 424.4±129.5117 228.9601 19.43 0.00443 578.8±495.8 245.6±389.4118 323.2209 11.11 0.00444 555.2±158.6 432±162.5119 396.2422 5.09 0.00445 191±47.5 151.7±53.7120 203.083 2.79 0.00466 112.7±151.2 32.2±58.5121 485.211 11.4 0.00478 120.9±94.1 62.2±63.8

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122 209.0778 3.75 0.00482 61.4±20.7 50.2±9123 114.9331 6.62 0.005 85.8±42.7 50.6±49.2124 391.207 11.12 0.00506 198.7±45.1 158.3±58.6125 830.1572 8.18 0.00587 120.6±39.5 95.3±30.1126 362.934 16.16 0.00603 509±301.8 307.1±253.6127 519.2446 14.63 0.00604 76.2±62.9 34.6±51.5128 669.4308 11.11 0.00627 328.9±105.4 262.3±79.7129 661.1162 5.13 0.00634 693.3±147.7 585.6±146.6130 805.4062 11.16 0.00652 215.1±30.2 187.6±42131 271.2274 9.17 0.00677 60.5±90.5 17.1±22.4132 885.5502 16.13 0.00678 54.4±45 105.5±83.1133 164.9263 16.71 0.00729 413.1±692.2 951.5±783.8134 114.9333 5.58 0.0073 40.7±37 19.5±23.1135 114.9872 5.14 0.00733 31.6±60.2 106.9±125.9136 289.9361 2.59 0.0074 79.1±30.9 104.3±37.7137 445.1136 4.41 0.00743 213.6±53.8 174.4±55.2138 315.2536 6.13 0.00747 156.9±36.5 135.4±24.8139 785.1729 5.81 0.00781 1148.8±332.8 934.3±277.8140 853.1611 5.81 0.00825 279.6±78.3 228.5±67.7141 830.594 7.18 0.00881 479.9±865.8 91±114.4142 804.5704 7.7 0.00939 0±0 132.3±245.8143 446.1153 4.42 0.00951 41±16.6 29.3±17.1144 271.0702 2.79 0.01009 28.7±46.3 6.6±16.8145 377.1634 6.24 0.01027 30.4±19.3 17.3±19.1

146 723.5042 3.44 0.01036130820.5±27065.

5114269.7±21996.

5147 744.293 6.49 0.01042 250.9±319.1 88.9±159.3148 483.1938 10.19 0.01092 158.9±144.3 81.4±88.2149 232.0592 2.4 0.01108 18.2±32.2 3.4±10150 747.5662 13.37 0.01119 233.2±469 24.2±109.2151 117.9279 5.58 0.01129 126.2±149.5 47±89152 417.2224 11.39 0.0121 95.7±100.8 44.1±55.9 153 283.2645 11.86 0.01235 526.8±99.9 666±256.3154 893.1295 3.7 0.01242 200.2±43.3 172.3±40.7155 676.3019 6.51 0.01262 583.2±746 216.6±366.7156 180.0668 5.09 0.01308 4.5±3.5 2.4±3.1157 755.1447 10.21 0.01342 70.3±44.7 42.7±39.8158 290.9346 17.02 0.01357 137.1±88.6 182.7±52.5159 887.5492 3.39 0.01402 225.4±234.1 101.2±152.7160 601.4429 11.11 0.01447 355.2±163 265.7±117.1161 625.326 3.17 0.01447 114.3±215 22.3±49.2162 589.5172 12.72 0.01456 140.2±61.8 104.4±49.7

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163 114.9336 9.17 0.01489 4.3±5.5 1.8±2.4164 473.3104 9.52 0.01494 163.7±94.7 105.5±86.2165 356.9634 3.68 0.01503 134.5±51.6 99.4±55.8166 674.4951 12.72 0.01509 47.8±24.4 32.7±22.4167 608.3167 6.5 0.01635 1516.5±2054.6 564.5±937168 947.6558 11.11 0.01645 193.8±86.8 147.7±60.6169 415.2072 10.22 0.01651 163.7±173.9 78.3±98.4170 210.9478 5.16 0.01715 770.8±673.1 373.8±591.5171 118.9924 4.28 0.01723 37.9±15.1 28.4±15172 159.8591 16.28 0.01756 50±45.4 124.6±147.8173 239.0922 4.57 0.0176 63.8±101.7 18.7±40.1174 459.1951 11.16 0.01769 264.6±42.5 223.1±77.3175 449.1723 5.55 0.01805 395.2±151.4 286.4±185.8176 273.0805 4.37 0.01893 63.6±123.9 12.2±32.7177 624.3384 4.41 0.01914 48.2±92.3 8.4±33.6178 371.2229 5.42 0.0202 26.8±54.9 72.5±84.2179 159.8602 17.66 0.02069 10.7±22.8 43.3±65.7180 261.0744 4.57 0.0207 29.1±43.1 10.1±18.8181 291.0826 4.56 0.02074 266.1±35.4 244.7±34.2182 512.2677 6.21 0.02139 115.8±248.1 13.4±75.2183 853.5761 3.49 0.02158 6572.5±676.1 5971.6±1143.8184 524.3361 6.9 0.02217 95.3±196.6 15.7±52.3185 741.1468 5.75 0.02225 587.7±149.6 503.7±130.1186 465.3035 14.91 0.0227 258.1±513.1 56±101.5187 206.9731 4.86 0.02363 1449.8±766.6 923.5±941188 540.3314 6.53 0.0238 8723.1±13070.5 3158.8±5406.5189 533.4539 11.11 0.0241 290.5±153.9 213.3±109.2190 548.2063 4.95 0.02503 116.5±68.8 70.9±81.4191 224.0611 3.79 0.02565 69.9±161 8.8±20.5192 172.9906 3.17 0.02571 49.8±105.9 9.2±18.5193 527.4465 14.29 0.02614 1011.7±635.6 721.7±364.3194 364.2289 8.1 0.02663 323.9±242.1 210.8±150.1195 119.9147 2.53 0.02714 53.3±32.8 72.7±33.4196 480.3085 6.53 0.02734 378.7±641.6 115.1±251.8197 683.1637 5.16 0.02771 1003.3±261.6 860.5±232.3198 636.3501 8.01 0.02795 598.5±1166.1 145.4±315.7199 566.3469 6.86 0.02812 1834.2±3250.4 510.2±1251200 831.5984 7.8 0.02863 136.2±239.7 38.8±93201 873.3938 11.16 0.02898 155.6±19.1 135±43.2202 526.3511 6.9 0.02907 62.8±137.7 9.3±39.8203 634.3353 6.88 0.03017 339±637.2 83.4±242.5204 530.2985 6.5 0.0303 219.9±359.7 72.6±152.8

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205 320.8844 18.2 0.03032 242.2±270.9 115.5±179.2206 704.3379 8.01 0.03057 243.8±487.5 55.8±143.8207 568.3628 8.01 0.0307 2961.6±5734.9 775±1531.5208 480.218 4.95 0.03153 288.3±157 183.5±199.8209 826.5603 3.49 0.03179 12868.4±1917.8 11818.6±1794.2210 557.3206 6.5 0.03246 95.8±169 27.2±73.4211 180.9119 17.03 0.03303 1209.5±629.3 806.9±763.3212 772.3268 8 0.03316 112.6±233.4 24.1±67.9213 458.2372 4.95 0.03344 866.6±460.4 558.2±598.2214 480.3103 7.85 0.03432 128.6±223.2 37.5±103.6215 357.2341 7.06 0.0345 281.7±195.2 381.7±166.4216 271.2274 7.34 0.03513 81.5±39.7 63.9±24.4217 802.5605 5.14 0.03544 20.1±69.1 82.6±133.4218 702.323 6.88 0.03643 127.5±254.7 28.4±100.5219 175.9589 19.17 0.03789 467±350.5 284.7±318.4220 564.3432 9.91 0.03807 48.8±25.9 63.4±27221 434.1847 8.21 0.03878 11.4±11.5 6±8.7222 368.2423 12.72 0.03934 141±40.8 115.4±50.5223 791.4932 3.45 0.03943 8177.2±938.9 7632.5±1037.5224 527.1823 11.16 0.04038 283.4±36.2 245.7±84.9225 293.1768 5.17 0.04071 4104.7±865.9 3658.4±795226 763.1295 5.75 0.04095 144.4±37.6 124.8±35.4227 885.5506 4.5 0.04108 67.6±63.3 142.6±171.4228 367.1572 5.21 0.04165 553.9±1252.9 117.4±217.1229 512.2998 5.47 0.04212 51.4±124.4 8.1±22.6230 349.2349 11.39 0.04216 219±286.3 100.7±161.7231 102.9701 2.52 0.04219 36.6±17.5 44.3±11.7232 402.205 4.8 0.04239 12.5±13.9 5.7±11.6233 612.3312 6.05 0.04269 80.6±188.4 13.9±46.5234 351.2521 12.72 0.04272 196.4±50.1 163.4±68.1235 879.668 11.11 0.04278 155.3±88.7 113.7±69.3236 828.5783 9.57 0.04312 144.7±343 609.7±1086.5237 220.1786 14.8 0.04382 62.5±104.2 196.8±314238 355.2279 7.06 0.04436 8586.4±5216.7 11077.6±4294.4239 637.1546 5 0.0449 119.6±42.1 97.1±42.7240 447.1315 13.16 0.04504 52.8±14.2 61.8±18.6241 267.1231 5.18 0.04566 31.9±75.7 5.4±19.3242 588.3316 6.11 0.04587 543.1±932.1 178.7±463.6243 207.9753 19.98 0.04674 53.3±34.7 36.3±30.8244 489.2772 16.07 0.04727 188±148 130.6±73.4245 595.1702 11.19 0.04923 208.6±25.5 181.2±64.8246 892.1948 5.9 0.04994 76.8±33.3 60.2±31

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