Compound Total_Pool_01 Total_Pool_02 Total_Pool_03 Total_Pool_04 Total_Pool_05 Hipp389 Hipp390 Hipp391 Hipp392 Hipp405 Hipp406 Hipp407 Hipp408 Hipp397 Hipp398 Hipp399 Hipp400 Hipp413 Hipp414 Hipp415 Hipp416 Hipp385 Hipp386 Hipp387 Hipp388 Hipp401 Hipp402 Hipp403 Hipp393 Hipp394 Hipp395 Hipp396 Hipp409 Hipp410 Hipp411 Hipp412 m/z Retention time (min) Factors HSV-1:- | Diet at Week 2:- HSV-1:- | Diet at Week 2:- HSV-1:- | Diet at Week 2:- HSV-1:- | Diet at Week 2:- HSV-1:- | Diet at Week 2:- HSV-1:no | Diet at Week 2:LF HSV-1:no | Diet at Week 2:LF HSV-1:no | Diet at Week 2:LF HSV-1:no | Diet at Week 2:LF HSV-1:no | Diet at Week 2:LF HSV-1:no | Diet at Week 2:LF HSV-1:no | Diet at Week 2:LF HSV-1:no | Diet at Week 2:LF HSV-1:yes | Diet at Week 2:LF HSV-1:yes | Diet at Week 2:LF HSV-1:yes | Diet at Week 2:LF HSV-1:yes | Diet at Week 2:LF HSV-1:yes | Diet at Week 2:LF HSV-1:yes | Diet at Week 2:LF HSV-1:yes | Diet at Week 2:LF HSV-1:yes | Diet at Week 2:LF HSV-1:no | Diet at Week 2:HF HSV-1:no | Diet at Week 2:HF HSV-1:no | Diet at Week 2:HF HSV-1:no | Diet at Week 2:HF HSV-1:no | Diet at Week 2:HF HSV-1:no | Diet at Week 2:HF HSV-1:no | Diet at Week 2:HF HSV-1:yes | Diet at Week 2:HF HSV-1:yes | Diet at Week 2:HF HSV-1:yes | Diet at Week 2:HF HSV-1:yes | Diet at Week 2:HF HSV-1:yes | Diet at Week 2:HF HSV-1:yes | Diet at Week 2:HF HSV-1:yes | Diet at Week 2:HF HSV-1:yes | Diet at Week 2:HF 15.92_279.2301m/z 3695.119966 3847.557291 3759.669511 3963.203606 3768.072541 3807.135438 3859.378656 2634.722597 2810.992998 3018.512205 2570.295664 2890.568194 3371.315027 3625.102814 3558.652284 2931.64257 2622.468094 3191.98586 3234.074588 3341.643289 3169.719422 8691.867428 4771.009244 5022.905591 4253.047785 3735.707591 4493.091957 5025.598248 4980.466041 4614.393734 5152.490174 3960.597061 4753.989642 4221.098071 4400.543445 5322.296374 279.2301435 15.92116667 14.93_476.2755m/z 78.81087751 69.47275876 73.45817162 64.68425866 63.93898247 69.18120372 73.4888167 56.5043299 55.02649345 57.07991957 49.84906922 58.25880896 70.53760623 41.95357652 54.23996154 50.14330922 55.14812442 79.10015249 58.12069863 47.1680547 43.2663235 140.8330842 96.36866632 95.65924109 66.85981489 85.82180898 94.2746075 83.14404513 78.38412302 78.52563715 107.6654792 62.83487641 103.0145872 84.30292756 84.91375199 104.7580272 476.2755021 14.93253333 15.92_647.4407m/z 358.7375196 319.0507222 389.5731499 337.7309868 298.1227959 184.6135218 290.5275615 234.4463393 203.8096696 205.2594954 155.635354 226.2170113 277.9937561 226.0892293 296.8694035 226.9615689 179.3992817 305.9907234 257.1269631 284.215553 200.5904429 957.5065407 432.8980416 388.0692763 273.9185691 359.6538103 415.5678684 410.2019754 382.9192396 353.0798363 496.2568133 354.0667042 569.0483448 355.8133455 434.4398476 593.2816493 647.4407126 15.92116667 15.92_347.2174m/z 87.53214571 81.73826858 88.61966345 105.465717 108.5985374 92.37633109 78.28698009 45.70365563 45.59396485 68.25291935 51.36018654 70.99282764 71.70238444 66.13170681 81.77006815 64.32119777 74.11317201 65.16685269 70.26939014 77.00640912 73.71426789 169.4225042 100.9065044 125.4467469 85.78651742 76.89592978 96.13414087 103.8864454 101.7131284 89.85972339 92.6452752 100.6430593 115.9373127 89.48597 98.86613225 115.5603466 347.2174308 15.92116667 15.92_624.4663n 138.9736612 125.7088692 148.5187089 176.3884827 144.8307551 95.84376415 125.4551452 85.18274692 75.66711829 123.1172046 75.87670496 118.5793075 117.1479938 97.13269422 114.5867095 114.6620242 91.02063242 120.8099123 97.98307873 131.681239 123.769664 299.4643668 164.2628096 175.7524892 127.8198555 139.3272333 164.7603261 162.0002738 160.3558792 121.254147 162.2121899 140.2124337 173.9183548 143.1578742 165.9441717 267.4836834 605.4484405 15.92116667 14.91_564.3283m/z 1191.569135 1243.896827 1277.690488 1284.2303 1088.086634 776.8826622 3258.323319 899.0816856 1141.017869 1356.447048 627.3882197 924.4205386 989.1550397 805.7590699 869.3472701 810.7376975 721.0281933 1085.020214 672.7498519 764.226444 607.562847 1869.167149 1869.21475 1199.89211 1069.649396 1434.212912 1714.915557 1728.412081 1527.197737 1559.999947 1956.711378 1933.82056 1901.272315 1646.513371 1356.898217 2752.163239 564.3283077 14.91206667 14.91_504.3065m/z 189.7671032 189.5302036 193.8641726 174.6499712 181.7425297 141.9556592 447.0385886 154.7281174 182.7611452 198.7581074 108.1857527 138.1805609 162.8659349 129.8898326 139.4501175 122.2199621 123.1158596 170.6548043 131.6672285 126.3694513 100.5130097 293.3537443 291.6724038 183.732988 171.7699398 218.9597717 231.0843119 245.4167978 204.9206888 230.3461236 287.6849079 280.0932398 331.4585184 241.3696481 221.9875554 407.8104223 504.3064593 14.91206667 4.12_271.0686m/z 478.452108 508.687733 478.805969 540.8528739 509.6078568 372.8110483 520.5553614 587.5416381 598.8174253 542.5148195 522.821857 568.1381869 550.4218328 513.7772176 491.8290563 511.3243692 467.9487828 485.5476096 477.1788369 398.026756 450.1917196 679.0130488 665.3444206 682.6362634 691.9655555 615.3249822 631.0820001 505.5516073 544.4387767 645.808137 634.6304184 589.7526436 506.7326164 554.9232343 630.2538764 678.7348676 271.0685628 4.1196 4.12_203.0809m/z 1924.386008 2050.538016 2096.224744 2290.016482 1977.81339 1203.722164 2009.495471 2342.020691 2291.998925 2100.668309 1935.409423 2351.816038 2124.716623 2062.863397 1732.242962 2060.820231 1847.452173 1898.971255 1818.037131 1609.341801 1760.216211 4021.791429 2801.476805 2863.544219 2919.212622 2795.658856 2802.959645 2091.283001 2286.582154 2579.989969 2572.896957 2497.368111 1754.105791 2387.884432 2567.7088 2936.007304 203.0808741 4.1196 14.73_564.3278m/z 1033.612643 1238.2671 1327.261193 1307.81558 1012.974978 615.0566304 1426.802491 506.1651011 771.446951 1188.514386 530.4927215 752.164149 856.1124245 591.7689501 561.8907219 609.8693817 650.7000811 1088.836156 397.0684388 638.5016617 497.1621304 950.0550612 1634.797043 1113.662978 684.0165637 1254.55675 1180.071336 1529.593202 1091.533458 854.6320596 1601.893451 1016.455503 1232.235256 1570.742037 1195.892258 2421.583648 564.3278209 14.72776667 15.92_405.2180m/z 103.4422724 117.6495953 100.6454357 103.5400498 114.8604345 144.0841347 106.6025586 95.68897391 88.25477048 100.4938883 91.89607642 91.53264555 123.7755972 106.6748304 137.1951634 74.48024138 77.96807705 113.2167089 128.1710519 93.89832787 98.8577095 193.0690531 156.1479255 157.702767 124.0252022 115.4985034 122.7815167 148.6974696 149.4440646 184.6575795 138.4963765 136.5619156 175.9319794 129.9778092 128.1320598 143.6820629 405.2180406 15.92116667 1.64_180.0646m/z 2540.001986 2661.420055 2696.774918 2883.979701 2567.559071 2060.413601 2997.48604 3668.861073 3073.80973 3411.319434 3690.470734 2686.237203 3884.75535 1410.770167 3769.901006 2263.570639 2372.850464 1801.475427 2032.206207 1942.097142 2055.804304 4027.891489 4028.406206 3149.151198 4018.16523 3713.191567 3543.516203 3407.473361 3158.446514 2234.594392 3250.918662 2570.22171 3193.438681 3077.817291 2055.819106 2699.452889 180.0645759 1.643516667 15.27_460.2773m/z 32.17251663 41.44088896 44.83251171 36.06341456 36.74045798 30.38015613 24.53021568 27.12550206 23.71542171 36.06792907 24.31712983 30.79338251 36.9799271 30.55794589 34.69549849 20.47115858 33.06087838 37.13028204 37.91382825 27.28579264 22.91304825 69.70781417 41.12873938 41.44826425 35.61410144 45.98297296 48.79934481 43.88353755 37.86077062 38.79739796 43.60471091 27.1480508 55.34941972 45.28710651 48.16195822 59.28008777 460.2773215 15.27328333 15.92_363.2058m/z 42.59036739 43.17817717 48.57705558 46.57430794 46.68606689 27.89138523 43.85291932 30.02822612 29.73286394 35.71839338 21.6102089 26.88012536 27.78822285 34.24116181 47.75894025 33.34988142 26.64784818 46.2288386 40.32204227 30.81720149 30.02629821 114.7677646 48.02873922 48.9640547 28.62825154 43.13290417 44.77152268 56.88574706 48.12697431 47.62794962 53.55783544 50.65990496 72.89732788 45.2994255 51.68744218 60.83455197 363.2058191 15.92116667 3.87_481.1774m/z 46.19875385 40.42195229 50.88614187 50.23708962 41.53625874 19.50046732 46.36424655 66.1227356 62.81503866 44.3388912 60.55386268 42.97896598 26.55968039 40.64249548 37.77868397 20.33875488 30.4415921 40.53783547 35.5589852 40.21561368 42.33143664 59.86358215 62.36814013 39.90282427 78.72453269 71.48086226 62.42214351 57.59844255 86.34024587 74.03092622 70.86211684 63.90771337 63.50469298 66.38069417 52.06873083 63.86911421 481.1774434 3.873883333 3.87_218.1017m/z 7826.066267 8291.566656 8755.594218 9193.617729 7955.4199 5322.904349 8842.68469 8929.210125 9288.867139 8685.010318 9676.810055 8392.887491 6018.613604 9535.459588 6211.150578 5346.230896 6815.278029 7885.314423 7319.238268 8602.652361 7619.2115 11102.32492 10485.45315 7314.942621 11507.81493 12402.15905 12631.08591 10741.97982 12426.76202 11242.62531 10624.37883 10519.155 8518.560581 11840.18235 8937.098338 10364.90562 218.101667 3.873883333 14.73_504.3068m/z 109.7220217 118.7088784 119.1992007 126.7569429 101.3378027 83.11822495 130.9577945 60.02560211 83.40404742 119.3588996 56.67995448 69.78938008 98.24511383 76.62662616 61.58039513 61.06944564 68.01307914 115.7948027 51.88776181 63.55359485 54.02039455 90.00133434 155.3170185 100.0046627 71.24982043 117.1358842 105.9144122 141.3423665 105.8996975 84.82297654 161.0584092 102.2423501 136.1459842 147.2865851 114.5938567 232.1103838 504.3067745 14.72776667 1.64_163.0380m/z 69.23148182 73.87270561 80.38970585 88.81306282 78.53007171 63.44476284 79.46647874 120.3937839 93.83859412 97.53739088 113.3736732 82.21351646 118.8285417 35.34422045 125.7768414 65.90648229 73.78233179 51.45595824 54.01386429 54.87230076 65.71771273 137.1430705 118.7523154 103.2275788 123.0974006 111.7283801 102.9030514 98.40749811 96.97142952 68.45047804 90.5344697 67.46688623 90.69630755 90.96481261 63.43854896 86.46271047 163.0380384 1.643516667 1.66_405.1031m/z 135.1673509 144.3048912 155.1656508 157.4043986 159.5516282 89.09089612 167.7308791 285.9919739 189.7471875 228.7521494 262.3956606 138.6209891 260.0933244 52.13526602 292.8792369 86.73064548 131.9954055 80.09982409 95.60255274 75.97806413 80.98742166 260.1265606 308.2983751 205.4566175 273.4656804 266.0032248 208.9138218 219.8130955 196.9158399 97.66374758 196.2282318 162.060404 235.5320985 163.219667 104.2952182 152.4521313 405.1031076 1.663983333 3.87_146.0804m/z 112.211611 111.5937119 124.8198227 132.9819615 122.7599246 56.17259167 117.0528516 148.6581601 139.3494505 118.7331748 142.2283042 117.9511022 75.13915183 117.6682771 90.00012338 61.61583456 88.29931777 103.497316 98.68645429 117.8490189 101.0158237 185.7942369 164.7201836 93.11195223 173.0712094 183.6579182 183.5960024 151.9564293 189.3753491 172.0123232 138.4846387 170.3199339 141.5155877 165.3024222 123.6120307 158.0860976 146.0803812 3.873883333 4.12_225.0631m/z 52.02633695 52.36170492 50.61543219 60.9364776 56.66381468 38.79321689 54.81452277 68.66111367 69.07274115 61.06309218 56.12564488 50.31311664 58.79331126 44.91366277 60.42875333 45.0706905 43.80935566 53.40218736 53.68360506 44.96068139 42.44984579 66.83864512 74.69808766 71.17097627 69.30367202 70.15902881 68.69809038 53.76197564 52.12444256 75.35894897 65.95677265 65.21551904 51.96781919 64.74496763 66.65635132 79.53137553 225.0630617 4.1196 3.87_88.0392m/z 268.3774327 274.7902044 310.003696 326.986187 286.6003768 122.5019815 283.627806 327.6025712 316.2967665 281.1677305 362.5662363 284.9738427 162.7826995 315.1370294 179.5992901 139.2859517 212.9294291 253.8124832 226.2534078 286.3597424 255.7825096 453.0390738 386.5775972 222.985911 415.0883595 481.5280037 477.1518355 388.9500813 493.8656782 399.1916058 374.0350462 402.9339746 295.1530546 444.6851691 302.7792306 383.9330043 88.03921562 3.873883333 1.66_383.1215m/z 1063.731509 1095.497932 1226.72959 1248.791802 1074.067979 474.6012686 1235.515649 2338.410918 1350.774716 1740.269733 2062.252495 1004.290612 2147.610901 470.2273924 2124.251468 728.4398934 877.2875117 491.5734051 547.5907419 532.7983559 614.4410814 2718.041226 2406.93719 1346.716794 2135.299176 2103.142928 1671.1476 1688.507655 1457.417552 640.5777023 1453.685877 1066.976431 1674.020063 1324.656603 600.3725491 1011.840283 383.1215142 1.663983333 4.12_429.1540m/z 345.3639329 360.1419529 401.4545406 443.843955 368.7288258 96.84801778 284.8082649 550.2995426 462.9265577 361.7870926 325.6028227 473.2760803 376.9767291 328.5759129 249.805954 370.4186542 298.1662608 301.0171155 261.0345342 215.4996533 275.6775235 1413.662972 678.7133455 625.874494 651.2423828 694.5869053 614.4053359 346.0614204 429.7209714 504.942361 478.600384 584.4319179 264.5451977 448.021755 590.7940172 751.5853909 429.1540384 4.1196 1.64_445.0920m/z 44.78407681 45.71642927 48.12190447 43.55555 45.22677964 27.09919334 55.79520176 84.6672502 58.45292694 59.1343581 71.33401134 40.14420432 69.81505938 30.56903867 95.79596831 31.65790124 36.92136342 23.97330906 25.06328375 26.9461076 23.77171628 66.53825321 86.63472248 62.06232173 83.18200136 71.40272396 70.15451205 68.1886562 59.18958313 28.67579456 58.42954564 51.80616325 69.36857023 52.29450112 39.54602716 47.63708268 445.091996 1.643516667 4.12_333.0395m/z 89.09559772 99.42094805 86.97694565 103.2196369 95.85209321 79.79557926 102.6458191 106.5006469 120.550351 102.5879489 97.37864695 104.3738239 103.9602193 100.9900612 103.0372908 88.67697936 78.4030138 103.1057193 92.74072031 78.40926219 83.68427047 106.3682896 128.4066074 119.8423628 131.1163935 116.9765776 123.1279942 91.64609585 94.9837643 125.4435344 106.9361584 113.6915477 101.0509939 102.5934917 125.3093604 119.6631687 333.0395485 4.1196 3.87_459.1961m/z 1712.663012 1720.012076 2001.395125 2103.357362 1687.1856 387.5427518 1613.56998 2218.864439 2086.073334 1709.903478 2170.781768 1643.882645 721.6801161 1594.942333 870.6765312 558.5615952 1116.466561 1527.629485 1242.276685 1697.571037 1420.288762 2802.97909 2615.402678 1121.592133 2848.634821 3367.704682 3282.947891 2613.914894 3435.515205 2871.69716 2266.500952 2854.654885 1992.428005 3019.890835 1991.991969 2600.16671 459.1961092 3.873883333 3.87_286.0895m/z 789.120139 830.6882472 819.1907395 844.7525487 810.1782221 670.6581577 876.5355032 937.5804926 933.0160732 877.4623222 941.178724 824.8005512 687.5270178 839.646204 769.7977772 583.6518957 724.8732559 824.7729134 834.2632921 827.1395162 785.091993 814.2121927 988.9433059 811.4913456 1096.159685 1000.783043 992.0465052 929.9539138 1004.210804 1082.675273 1024.355654 869.5354815 962.2886175 916.0798307 870.829124 961.1678894 286.0895122 3.873883333 3.87_437.2137m/z 86.03125801 87.40974065 107.1512929 116.5529392 101.6412105 11.90328664 76.10431052 134.9284576 117.825831 94.90766317 124.95466 84.50784011 33.19074388 87.90797666 39.62045297 24.70049675 63.19614034 72.76628572 51.85865775 90.30964097 72.41269615 247.7965648 144.6479137 54.86431566 159.0508221 243.8926096 216.5466503 148.0811332 257.2018409 150.2375155 132.5378779 186.03323 90.91343676 195.5088711 104.1045907 150.0685861 437.2137218 3.873883333 3.08_325.1064m/z 116.990981 129.5857011 122.061821 109.5136611 96.32505613 37.43814631 135.7296087 98.14324033 131.9970601 154.937035 114.4550943 97.88102953 90.55791706 84.20451012 129.6953331 54.09911044 78.68497873 94.2598374 94.66190018 71.72696951 114.1293661 441.6293999 179.6867363 90.94211108 182.7813484 193.9112702 165.4499286 154.7975923 176.0813596 191.0726794 200.3235281 164.9397485 111.9312123 183.6004376 84.76112184 165.7707871 325.1064427 3.08265 15.31_526.2910m/z 139.5360422 145.734944 161.2183005 184.0538213 149.3685376 138.0148082 199.9891743 225.40899 205.8758963 244.3552541 226.7405051 182.1177335 228.569342 185.2907122 144.0650576 255.4635969 220.7707144 229.3005956 169.3486482 217.8280632 216.753747 548.8127287 103.6449306 128.6726763 113.9241736 111.0071322 148.115703 128.3627596 120.8283755 77.41349211 133.4256739 103.475513 138.0177041 97.02604042 99.95406017 132.4550698 526.2909948 15.31423333 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