Metabolite_name RefMet_name 90245015907 90248015907 90252015907 90265015907 90266015907 90217015907 90229015907 90232015907 90237015907 90239015907 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 IPE_Reference_Kidney IPE_Reference_Kidney02 SED_Reference_Kidney SED_Reference_Kidney02 90559015907 90560015907 90564015907 90567015907 90571015907 90421015907 90422015907 90423015907 90426015907 90430015907 90576015907 90578015907 90581015907 90585015907 90587015907 90439015907 90441015907 90444015907 90449015907 90450015907 90406015907 90410015907 90412015907 90416015907 90420015907 90280015907 90281015907 90283015907 90289015907 90292015907 90251015907 90254015907 90258015907 90259015907 90267015907 90218015907 90222015907 90223015907 90225015907 90227015907 Factors - Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male 3-(1-pyrazolyl)-alanine_feature1 3-(1-Pyrazolyl)-alanine 80184.5337 70573.4904 46381.8876 61600.6116 58953.1480 41565.6891 65007.4590 93540.6297 65567.8134 85385.0260 749.7876 1297.3648 1329.4817 816.8617 1601.2709 1216.3874 64000.6730 60654.7537 62502.8823 45470.2228 68163.0154 69030.4397 65888.6538 52828.8452 61090.3923 57977.8030 63346.0742 83768.7568 78013.1695 53629.2069 50507.3950 49017.9452 56724.7642 48973.8036 79089.6988 74886.9542 58785.9622 79040.1178 79605.6035 49233.4691 72580.4872 46601.2965 56232.8808 33887.3406 47804.5705 69805.6256 61507.5231 57571.5407 83034.9350 59225.2072 74293.8135 58600.6784 59000.2802 46234.7802 77214.7794 70145.5480 89047.1047 65784.4845 57341.8057 51830.7060 75995.1100 35436.2496 89484.2669 62213.5671 61946.4205 90626.9704 59475.2744 63380.8173 96180.9957 adenosine_feature1 Adenosine 393215.9398 207287.0813 112944.6994 176822.9129 159720.3964 272830.6470 269716.8762 319585.7639 235331.3681 292414.9569 140.2807 1020.0439 967.2535 133.6825 825.8410 952.6145 207207.1323 235306.3731 221680.6324 282606.0271 177763.4079 257592.6196 218490.0766 268120.1373 192948.1512 317276.0184 187678.6571 304310.0381 299861.3293 204524.6649 286920.0445 193352.9087 99038.9851 162537.7510 260543.6246 270560.1636 205263.3053 270583.3200 250447.5508 137688.6010 137580.2475 305937.3374 137414.8123 98263.2606 175433.3915 280318.3222 262456.5922 83880.0171 207313.3753 250737.2789 653768.3682 188015.1033 351594.5783 118731.6304 221811.3529 266762.5371 253119.6745 318610.8213 367680.6663 227511.7458 176240.4302 182174.0171 204681.4230 211565.6640 216099.8936 289022.3728 268754.1702 205551.4295 217630.1377 arginine_feature1 Arginine 17751.6537 18182.1827 12994.6376 14552.1652 8210.0881 11715.2091 12117.2282 12853.9448 15617.8606 14374.9687 136.0994 930.2322 920.8841 176.6121 1184.4239 901.2092 13676.6991 11141.4674 9554.1042 12709.9498 11294.1633 10777.0593 11206.0998 14040.1138 11296.0793 8847.7283 15969.9646 14896.7715 18447.5572 10887.9453 6554.7468 13805.3247 7462.2185 10375.4627 16020.8122 20021.1096 13166.7891 16085.6548 12044.2242 11061.7582 12073.2630 9809.1226 6737.9591 6734.5794 4554.8926 8701.0343 8682.1415 13184.7138 12652.6139 9159.1746 17610.5423 12477.5430 12426.5320 5035.4332 14750.4271 21074.4393 14157.1603 11509.5703 12083.3617 6235.4922 12009.4977 9185.1236 16517.7872 11549.0587 10372.7142 12605.4405 6463.3190 6322.1292 12081.8307 Car(10:0)_feature1 CAR 10:0 62714.2666 76658.9025 87745.5360 81810.7668 67816.3160 63686.4883 63770.1522 80642.2952 81443.6139 60530.2308 1104.9763 2983.1370 3392.5483 1157.6639 2714.7546 2406.5215 68761.3602 72854.4104 68499.5997 64385.0830 68592.1343 69588.6303 72778.4785 68200.0024 68672.4024 84213.9594 83823.9913 62379.7836 61327.8368 64643.9710 60174.0191 78191.4361 72116.9147 57198.8451 90758.6479 82110.7303 57733.3800 78164.7858 85738.6771 74929.2872 87978.4789 81208.0585 72677.0441 48474.2150 60630.4714 88886.6752 84958.9113 54323.4601 96320.1805 53482.2222 95681.2141 54035.3638 64185.1998 69486.5588 68385.4833 45631.1923 73945.1727 70836.0877 76819.3530 66915.8294 55355.1402 41819.5081 64091.1592 65501.4330 64936.7581 59974.5923 74374.7474 42036.9163 52833.4879 Car(12:0)_feature2 CAR 12:0 229053.0588 335556.2525 357908.1569 337273.8181 255711.4947 196271.8575 230789.3927 259806.8677 286644.2606 224131.5036 773.3396 1409.2354 1519.2711 852.2131 291.4076 2113.9064 333999.2891 229629.1799 232498.4828 241132.8102 242666.0053 266491.4278 278491.3999 269290.4730 274565.0335 192462.1823 228776.9808 170253.3269 195400.4384 230832.3731 251807.2430 317396.0529 314700.6497 205332.2131 289318.8672 266619.0947 230558.1116 252555.5945 338099.3817 296070.9238 371996.8531 279703.7288 289472.0108 225117.7429 191600.7466 273255.3595 303411.7753 183193.4090 271985.3620 221588.6419 337122.9704 216183.7539 230749.5025 216995.3211 220512.9451 143923.1437 228277.6520 272558.2171 222599.2257 254778.3361 224642.8136 161402.5795 256280.7894 252231.1811 223111.3253 175986.2810 252770.5019 130706.7441 161541.5638 Car(12:1)_feature1 CAR 12:1 35703.5636 54893.3863 46967.3704 47643.3734 47705.6268 28656.6741 34988.9720 40538.7013 53836.4513 36437.8915 835.3210 617.2275 1546.8680 838.0632 2061.0556 611.6468 44671.1461 41915.4333 43013.7326 36625.7548 41408.3802 43570.6827 42965.5247 40888.1973 43434.6090 46151.0285 41641.2669 33698.1678 32774.8066 40667.6320 34866.6662 53675.7869 56101.9216 34997.7593 56818.7120 45806.9963 33067.7495 42576.9744 51696.2654 43620.8696 61716.6577 52627.2316 58033.4012 32619.3765 28555.0324 47092.5148 51443.5272 34174.5779 51958.3049 43299.8252 53292.6254 39993.5616 46699.3298 40516.7916 39006.7871 25672.6400 42344.3186 45886.7357 44986.3562 38102.1722 35233.8220 27816.2127 43622.4671 41200.6287 38295.6241 29661.0852 43447.4483 25845.6711 30291.1650 Car(14:0)_feature1 CAR 14:0 444844.3203 752269.8251 884519.2878 696522.7927 685691.0813 377085.5890 442749.6847 460657.4696 632168.2834 441049.5630 178.8432 539.8720 813.1887 419.6664 544.1491 492.6548 473648.5372 601289.8441 488180.8426 578856.1277 421590.9221 579927.5254 466881.0439 466544.7350 592179.0712 436342.0061 535886.3557 544883.3391 527834.8281 609407.9339 540224.0489 676118.3436 523614.4410 401866.7160 575789.2398 642252.3208 402985.8831 476686.2704 541517.6071 729998.7002 850307.4020 665629.6880 604434.6082 439725.1412 444166.4064 626717.3268 500142.9980 260574.4299 666086.6693 412400.5943 810502.3999 507640.0109 595041.8139 751911.1728 535264.7515 221522.8579 555373.0054 604683.8482 436175.0695 629842.0750 449517.6880 350170.3002 507408.0699 555605.8169 341334.7208 243679.5337 535824.4022 272127.1632 375892.4096 Car(14:1)_feature1 CAR 14:1 221299.2271 348283.2469 329058.6040 250959.1462 223004.6913 172900.2034 194967.4371 246555.7499 259925.9330 191348.4203 1235.9284 1111.7456 1409.3431 1072.5790 886.1723 1600.7535 202390.1765 173008.9417 221003.7567 203669.5599 201710.4150 269685.0905 183363.2468 200611.3285 182328.3054 238237.8482 240228.5783 222026.9782 228109.2867 187088.1850 143093.8433 379843.4586 217403.4077 175908.8359 216460.3835 272174.6460 220782.3620 189442.9038 219701.2078 301993.8921 393685.3621 540902.8664 375356.9114 170319.2935 161368.8789 277370.6013 219407.5343 149863.4340 405976.9141 250188.2237 316884.1357 277802.0626 310161.7489 199229.5984 169497.1628 147057.3458 211300.1981 272337.3523 187154.2826 282570.4508 163994.2872 123592.7833 277402.6188 186781.3576 224878.9759 125041.0413 191374.3057 127997.6226 112908.8347 Car(14:2)_feature1 CAR 14:2 94291.1454 110572.5351 155770.8415 121257.1280 93837.5675 71201.0919 104995.1049 122608.5531 139239.4375 83076.5939 449.1802 1148.2605 1013.6076 911.9506 1209.7494 848.8321 115023.4430 142032.0559 96811.3285 112720.4909 98773.3210 108364.9861 100630.0449 165837.0581 101711.0579 91734.9597 121670.1630 81907.8296 138694.2485 107653.4946 92784.9255 141845.9940 132224.6627 73492.5559 151846.0875 159940.9066 86745.1951 177384.3574 132241.1392 121133.5496 185661.1877 96034.9373 129760.0551 111767.0596 70405.2636 111788.7083 125623.8115 87503.2492 127691.9541 78736.7785 113176.9736 109278.7803 90217.6478 121213.4463 94380.0444 71372.1469 72939.2908 113832.9890 94308.1589 80578.5656 87817.1410 55232.9088 146902.9643 98211.2792 97406.2555 82887.0220 98556.5581 49845.3057 72735.9141 Car(16:0)_feature1 CAR 16:0 2682844.9260 3918041.1200 5289543.1140 4435548.5370 4056895.1950 3083013.3830 2799356.3640 3646941.2700 2929948.8570 2204545.1090 159.2765 511.5588 1540.2117 152.0180 555.3230 459.0077 3201871.5870 3008020.0790 3053728.2530 3175149.5740 2995473.0700 2941745.2930 3132855.4110 3158022.9960 3105846.3350 2788965.8760 2674952.9240 2123417.9740 2017972.3150 3635607.5700 2958383.0350 3743150.7210 3191410.7880 2745055.0370 3417334.4520 2756266.9130 2595481.8040 2811860.8640 3533225.2410 3986991.0360 4934360.8260 3556780.6030 3596131.9990 2643037.5760 2418642.0970 3439088.5350 3382507.6050 2396261.3220 3508742.5490 2355903.3850 4414192.6970 2849989.3920 3037578.2210 3987868.4840 3072996.2950 1734746.5300 3199103.4920 3292652.6430 2698613.6090 4403396.3300 2650313.4810 2302828.0290 2845220.9120 3283814.7480 2232037.6370 2474186.4630 2881661.9110 1587825.5410 2549328.7750 Car(16:0-OH)_feature1 CAR 16:0;OH 398266.0947 621494.7988 808423.6530 686418.9227 555061.7100 376386.2575 343949.4082 423846.0122 218030.4308 315483.8902 216.9710 1301.2790 1366.3771 234.5450 1333.7140 1625.9155 449396.9313 451331.0407 423362.8319 455537.1690 460826.9859 443539.2969 464884.0043 378769.1675 483503.2734 541012.6937 552618.4958 346993.7850 390379.0918 547112.5761 439884.4187 617534.0027 537916.7212 419068.6323 482313.7620 416624.4452 329386.0120 338455.6775 507662.9025 672702.0063 758506.9346 596408.4503 593294.6094 385928.0555 337449.1586 460357.5227 171519.5003 259168.4694 480126.5881 368990.1104 653639.7547 434996.0073 455284.7342 531586.6170 351459.8541 188929.3380 431518.3566 399413.4312 342377.0717 535145.8794 400722.4996 260853.4341 441716.2926 455376.7807 306863.4382 299246.8804 373834.1033 201512.3898 289700.5029 Car(16:1)_feature1 CAR 16:1 352300.6619 537497.1170 754550.5552 619681.9547 509053.3800 333547.9831 297565.7347 374246.8404 219160.7467 268506.4604 130.6298 863.6787 1042.7365 119.0620 920.3804 966.9666 399364.8768 392356.0935 365488.9199 400554.7193 402679.4381 383468.6660 411896.1404 332076.4221 423067.5558 475264.7525 486408.5346 292181.1369 333457.4587 493785.1536 381431.1346 553344.7771 470240.9569 370312.7680 415784.1614 352545.9540 281430.4572 279548.4821 452413.8034 623284.0544 664782.9824 509589.6115 521579.2327 336869.3981 288426.9807 385340.4352 331401.0294 219004.9451 406773.6656 335988.5276 560947.8023 385923.4387 398516.6482 482109.2947 296288.4477 155936.8841 370101.0679 331539.2087 292543.0650 480229.8204 343470.9015 228216.7316 379365.4938 394347.2787 258040.0413 272362.6359 328026.6993 168102.0600 256600.8906 Car(16:2)_feature1 CAR 16:2 103207.0283 154498.5264 162708.1562 255542.5609 132059.5210 109928.7822 138180.3362 173940.9645 178795.8501 110770.9651 128.8181 295.1926 328.0664 122.2088 276.8582 293.8077 141629.9986 143386.9559 134497.3128 125140.2100 146665.1937 136637.3296 139320.4775 147423.8564 133200.4450 172905.5299 159456.3675 139898.4244 141376.8087 257865.3661 102833.4414 207548.4917 159942.4007 127232.8046 193030.3171 141512.6219 123311.2631 144570.0795 173321.2728 168022.9715 216432.3835 155139.2442 169275.2574 121461.4175 107554.0744 146558.9090 280428.0673 94410.8586 168380.5479 117532.8427 177893.2071 131754.5383 141292.6145 162362.0477 202597.2294 133862.5938 149779.2612 149837.0779 141620.5435 145728.5987 115254.4776 141911.2288 163747.9631 135597.5090 113237.6349 151679.5919 178497.5048 74079.7233 126214.8631 Car(17:0)_feature2 CAR 17:0 55009.3925 56885.5569 86481.9378 68306.7440 77697.7091 67841.9352 52765.4336 68100.9666 79772.1642 42272.9129 514.1631 870.1152 295.0530 149.8304 279.6485 266.5933 64123.1992 87583.1925 76778.5168 77494.0397 57621.7021 76476.0525 77285.5224 76683.8929 73289.2163 77270.3446 88456.2786 68151.8365 54738.4612 70149.2028 68527.3393 67091.5093 64439.2827 62013.6056 83124.4403 64332.4654 49204.5957 60540.1782 66775.6098 100133.6875 125951.6834 84369.2015 85935.1984 57463.5180 49497.6142 66875.0173 72677.5780 56255.0541 71724.1739 44586.2692 109775.9362 62437.2578 58354.5368 66273.0569 66170.5940 41342.7542 76412.7321 61230.6574 50631.8001 77442.5346 58784.1295 36772.9540 68979.9554 69384.9299 51382.8580 55544.8207 84146.8669 34773.7457 74869.6946 Car(18:0)_feature1 CAR 18:0 1608827.6630 1896719.4850 3124970.6100 2811613.8180 2269045.6930 2824234.5000 1880553.6830 2448705.6140 1664811.8230 1359077.8730 21435.3167 3855.7819 3377.7189 12678.0924 4144.1949 3411.8863 1949468.7770 1834597.9170 1964805.9650 2072890.9040 1916889.7320 1943261.0740 1874702.9380 1935557.2330 1953591.0040 1988676.9120 2043240.1140 1941347.2180 1880980.7640 2176244.1790 1898515.1550 1815653.7880 1583889.2340 1470336.4200 2294469.2120 2006374.2530 1541774.7990 1666143.7990 2127776.6430 2657106.3420 3149146.9920 1909080.6700 2068740.1840 1616362.6670 1372935.9990 1900145.1370 2353234.8920 1346050.1380 2169181.4330 1287740.4230 2736619.2990 1539209.6370 1760452.8160 2239164.7990 1518578.6330 1198754.3690 2250658.0190 1882800.9960 1666841.3390 2503522.0540 1492044.5600 1444867.0510 1764635.2510 1787226.0100 1565906.2380 1814835.0560 1897849.6420 1020756.6830 2000750.1280 Car(18:0-OH)_feature1 CAR 18:0;OH 2390643.9660 2984045.7370 4419153.2000 3779688.9970 3070324.9760 2682051.7030 2375357.2820 2974692.0200 2534111.3490 1850790.9470 296.0555 2510.7280 2028.9060 289.7482 1493.0211 1515.9763 2766402.3920 2642559.5380 2778846.8290 2807575.7680 2674396.0150 2673286.9650 2740826.9360 2711679.6480 2766622.5750 2758575.4830 2676773.8290 1985014.2670 1883277.9860 2953655.0980 2574027.9380 3384755.8870 2928184.1050 2379824.8300 2882767.6110 2353439.7980 2496609.7910 2373231.3530 3051241.2100 3893292.6620 4086116.0970 3372753.7070 3405480.5810 2271991.7670 2001966.2730 2782654.7540 3211819.5910 2036096.1030 3226871.5800 2236843.6880 4230793.3380 2538677.7180 2889822.5820 3245552.1260 2424950.4800 1655130.9970 2765138.7580 2551816.7990 2221297.9560 3238143.2380 2349025.1110 1829232.6420 2484837.2340 2722078.8680 2230077.1830 2251691.4330 2693600.0110 1499901.7520 2196524.6470 Car(18:1)_feature1 CAR 18:1 2270237.7910 2820209.0910 4282418.7320 3617441.2190 2933761.3870 2582460.1120 2227980.7320 2781734.8610 2302065.7130 1698100.1680 260.5159 1274.3551 713.1451 253.9064 1486.3975 546.9419 2599576.2920 2478755.7670 2608164.4590 2642814.2170 2514877.3660 2513429.6850 2573253.7810 2543603.1680 2599905.0860 2640142.0270 2556745.5810 1843483.2230 1748257.5340 2825317.4870 2438260.9420 3232791.6700 2755053.8570 2256359.4790 2669369.5000 2176622.9980 2308912.9970 2141122.7930 2791456.1330 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2446268.6220 2443187.8610 2468358.7720 2390358.5870 2549166.9060 2772589.5900 2857295.2740 2425387.5320 2258777.2780 2355011.7620 2556773.7750 1897153.1010 3131163.8850 2743934.9400 2383653.9840 3103893.0310 2556702.0400 2282310.0630 3415910.2520 2459928.1580 2332239.7690 1996640.4230 1992034.2610 2886091.1790 3311566.2420 2491714.9950 3081224.5140 2380993.6440 3872741.6400 2203567.7520 3004893.0190 2038432.9610 2868819.9870 2466335.9210 2539177.4590 3211891.0120 2887149.6490 2385257.7270 2303691.5370 1632871.3460 2507690.6380 2460665.5350 2198899.4830 2049011.9410 2239627.9280 1875828.6870 2428432.3720 Cer(d42:3)_feature1 Cer 42:3;O2 225134.6439 263954.7169 270230.3605 248865.9266 218445.7878 197066.0775 207010.8165 226452.3186 222678.6153 158574.5464 582.1069 1469.0655 1372.6923 577.7211 1833.5058 1882.2175 212175.4417 212554.8788 214839.7693 214102.4969 219872.7994 207588.5873 216602.5695 225780.5884 202655.4057 201952.0023 224442.4286 195107.3386 196677.2165 227090.0262 203147.1510 259160.5192 229671.4391 205821.5888 199576.5094 209731.8065 176858.4868 212698.8775 215994.8506 237171.2719 352793.7769 266975.2906 227775.1681 208676.7847 212606.8476 207490.9645 225137.8498 181812.6615 256686.8562 239373.5523 315152.4695 191466.4750 229081.1721 181203.8903 199911.0604 206937.1574 195774.4761 212207.4827 201357.5883 234311.4956 208954.8735 171218.3560 248914.5209 227286.9501 179671.7103 192455.8788 161058.4391 164798.7658 194654.6070 Cer(d43:1)>Cer(d18:1/25:0)_feature1and2 Cer 18:1;O2/25:0 93488.5478 135697.4793 116184.1764 133951.9167 109261.1484 84675.5659 140848.9235 206685.9567 219338.3444 118261.7170 865.1602 1361.0433 1340.6749 821.0902 860.9720 1368.4498 144278.5059 151002.7539 136656.8728 147504.0100 130035.7652 140474.7716 140952.7615 140795.8888 152876.9927 160688.7534 161713.8914 144361.4190 142252.7085 106603.5438 97138.3401 93685.4630 137810.5318 81381.8007 186856.4913 166884.4441 130107.2572 209349.0302 175062.9110 114633.5702 157116.8655 123844.3841 140771.9165 95867.6886 130020.7900 134989.1723 155216.5802 177844.7428 217850.8803 137555.8346 210064.9641 136932.1046 150966.6447 147739.3216 196817.4593 126432.1014 176597.1773 157604.9666 143982.4658 90251.8083 166986.9591 95218.6181 169065.4416 143930.5189 125244.2370 207784.6789 158344.0603 185959.2684 161641.8356 Cer(d44:1)>Cer(d18:1/26:0)_feature1 Cer 18:1;O2/26:0 222053.4325 460951.7747 383929.4906 309483.9789 316312.2476 258023.3961 342418.7588 536509.3818 696694.6051 307979.7423 760.7007 1334.1263 1949.2887 765.9994 1061.5233 969.0880 386155.4982 410982.5856 372731.1088 376842.8105 376291.8512 375284.6190 391005.1163 394792.0055 392614.2006 333286.8702 365378.1615 263757.9327 309684.7085 285680.0702 228419.4576 189342.8735 390186.6987 239319.3964 453477.4274 479945.2646 310075.8917 688115.0165 491226.4024 285586.0336 343481.4952 316817.1608 403878.1594 280854.8703 420476.1156 351336.5951 417783.1293 523073.6455 606046.5899 450128.6825 615708.4875 494385.4526 423694.7797 671527.4690 575425.9044 256613.4546 466593.2506 402315.0313 395869.2440 185031.7642 601772.6220 323208.5552 537600.0236 385789.8327 270443.2728 560928.8941 462585.3298 676591.2539 368788.5751 Cer(d44:2)>Cer(d18:1/26:1)_feature1 Cer 18:1;O2/26:1 75692.5661 79693.1724 74446.7479 89679.0430 79608.1825 109522.0011 130249.6433 159285.2181 184753.9860 99470.4467 692.9039 554.8246 592.9642 641.2763 844.3443 702.8540 112007.7247 108381.1193 110048.8123 115597.7422 107727.5527 109181.0810 107335.3196 110372.2942 113828.2746 173484.4112 167430.0492 177718.6500 184331.3214 81168.8353 60388.1032 66718.4961 78676.0408 54154.5862 186826.1863 139068.6571 132786.6225 186805.2062 137897.5896 68688.4584 122520.8257 67911.7541 75032.6458 60066.1153 84897.6727 151530.9618 166942.1193 137336.4073 172182.5759 81893.0066 130474.4899 70792.8065 93050.7383 64158.2350 151840.9546 127565.2563 121886.0929 168442.6521 132428.8439 68022.9532 70003.1858 46204.3716 85571.3509 75660.6571 91085.7317 117079.0136 111999.4883 89511.0781 135121.6300 Cer(m34:2)>Cer(m18:1/16:1)_feature1 Cer 18:1;O/16:1 12936.5238 28041.9645 15764.2198 15838.2081 19316.4291 27417.1656 25908.6995 20545.4929 36330.8833 17777.4968 872.9938 687.0310 1265.5821 2369.6711 1319.4384 1160.9494 22772.7341 23539.9681 27000.4931 28123.7339 31658.8005 27503.7383 26533.1035 17556.2868 26265.7193 38013.5065 44743.3231 38887.4417 52039.4085 24738.7626 14841.2864 17414.5510 24916.1034 20713.3846 45322.1700 41876.1491 29423.9955 51150.2185 36798.9499 19729.0184 34278.2154 18157.0015 14987.2848 13601.9050 20683.7189 26097.4085 45656.8493 19873.8282 41252.3944 27725.4051 40301.9363 16030.7951 23639.9996 12550.1161 31093.7544 27577.5449 27913.1815 31084.2157 22257.9077 11775.1357 17239.7648 9422.7052 26710.3518 29686.3014 24252.4047 14013.6869 24133.1335 14703.7243 29622.4973 Cer(m34:2)>Cer(m18:1/16:1)_feature2 Cer 18:1;O/16:1 30233.6866 28668.2460 35035.9328 30607.7570 35500.0768 46136.7631 55540.0324 57917.8456 65930.2865 44372.8366 769.4374 257.0746 254.9236 2004.9361 1310.7685 914.5048 41592.4277 44681.9005 42960.9000 48109.7210 50046.2158 44154.1667 42808.8258 39723.8529 46196.7248 98711.0097 106086.1649 111846.4940 121591.7434 28989.5542 26246.6510 38918.8363 33951.6833 29787.8081 70200.3942 67774.3181 54707.1143 82736.8194 62107.2700 29988.2646 44035.5014 31029.7445 26314.0499 26462.9272 32652.3145 51441.8540 70888.4825 50681.6837 74500.3929 38946.0931 60854.0594 24759.2414 36579.8924 20290.0164 54560.6913 37822.0124 50874.1684 62701.9900 63359.4578 18114.4505 32700.6835 21796.0998 38906.7161 37747.6998 42102.5125 30866.5619 42522.5182 35279.5331 65211.6851 cholesterol_M-H2O_feature1 Cholesterol 769987.7573 977159.2339 964089.0335 788933.5686 1001847.6600 876120.9852 1418580.7570 930768.8557 936496.0379 1009852.2870 989.8631 729.9748 708.8100 887.7410 659.4641 682.5147 964339.1803 1007825.4680 910126.8577 1064548.4670 1019796.8210 1000346.0090 1029491.5460 1226564.2460 756615.6663 1066258.5920 700385.0180 755789.1358 882328.1747 1115106.0300 877218.0067 932081.0680 1079930.2270 834915.2492 1012379.8630 854327.6812 1113252.2470 1272169.8450 874304.9031 1043796.3730 985061.9973 1057410.3810 942719.8561 893356.1822 958315.5417 938538.0076 972607.2457 980888.4270 905002.3867 905768.9549 986078.8554 855078.1118 948469.4968 713744.0492 1063171.3700 800103.5525 725795.0532 1089618.9070 1072265.6950 1341479.3600 1048709.1020 930116.2120 839250.4256 1097450.6070 857240.8282 928009.9180 942514.4855 943324.2052 1094544.9940 Coenzyme Q10_feature1 Coenzyme Q10 1896100.7310 1314723.4770 1591836.8890 2156219.3850 786620.8349 1566758.5640 1804529.9980 1901383.2890 2389673.7760 1851803.7500 665.4916 679.0558 671.0959 699.9876 696.2937 733.0813 1632596.9990 1684871.9380 1598713.1240 1748728.9280 1586466.5240 1685441.4030 1684817.6350 1697595.9110 1593703.9920 2089997.9010 1985254.5210 1223583.9090 1298286.5460 1047534.6560 1341706.2120 1375019.0260 1160786.4820 982219.8012 2577092.2340 2251067.8470 3943615.4520 4448506.6080 2253993.4030 1248372.9860 1496264.2990 1838803.3990 1398637.0020 1146387.4030 717295.7877 1497908.0630 1801640.5720 1429469.7420 1805151.9980 1559733.5020 1924330.1600 1617004.7240 2065226.1600 1511093.6730 1484823.6460 1269203.7040 1613641.5120 1571543.3630 1784965.1930 1167540.0600 1399034.4740 985636.7410 1820171.7660 1177928.1840 958147.4217 1249680.7080 2335079.5830 1330667.2770 1354742.9330 coenzyme(Q8)_feature1 Coenzyme Q8 178648.0180 127119.0770 146703.0184 200505.2789 75318.5979 157579.0789 130929.4496 126704.8254 208145.0519 132536.0167 510.6977 1053.7941 1093.2776 493.8302 1054.3171 1062.3443 148211.2224 125918.9882 138131.3497 143022.4302 140482.8647 140469.0467 144510.3433 145716.3099 129149.9204 217277.3136 211957.2374 152685.4606 146272.2571 141365.4017 123432.1957 146675.4493 156756.6654 128714.1554 187113.5055 204069.8343 325293.2971 330581.0408 146474.4702 163744.1939 182090.5594 170707.8599 167788.4655 143148.2843 63047.3495 103276.6338 154163.4372 107502.2682 103343.7005 130541.2700 172129.6848 162934.1525 154323.9406 154928.8367 100127.3920 98450.8140 73608.7601 126020.6539 141321.0814 103925.0359 121656.8971 82222.5052 215881.1838 102403.4103 87429.1517 101383.2254 181343.1322 93624.4426 131378.0024 coenzyme(Q9)_feature1 Coenzyme Q9 13616031.4100 9875283.6450 11271280.0400 14446226.8700 5678625.6910 11855229.1100 11112494.7100 12094137.6900 17404433.2400 11403703.7800 1304.5789 1241.0777 1202.1351 1211.9034 1155.3654 1240.6284 10991593.9700 11239099.8700 11149438.3000 11462888.9200 10773844.9700 10807236.2800 11135314.9700 11162025.4500 11255095.4000 17393469.1100 17450561.8600 11203010.7500 11299278.2800 8906099.1690 9620618.0740 9711686.4540 9996157.8790 7680998.8360 16340141.8600 16157604.9500 26350819.1500 27190444.6900 13454824.2300 10087288.3300 12392619.8300 14244644.7400 11174743.1300 8379764.5820 5291440.9640 9294965.7930 13336273.1000 9258129.7360 9583413.0030 9731703.2900 13520629.0600 11047318.6900 12769898.7900 11095677.4000 9021554.7390 8124179.6600 8415617.5220 11575276.6900 11879214.0600 8003433.4730 8767717.2330 6068484.3320 13089244.5900 8791492.5040 6829937.6900 8917046.5250 14108533.3800 7756129.9580 10652246.8600 DG(32:1)>DG(16:0_16:1_0:0)_M+NH3_feature1 DG 16:0_16:1 35647.4684 95703.1881 54909.6366 49050.8981 42611.9352 94829.0811 35972.7196 50672.4348 82232.3901 42405.3521 414.8080 251.9897 241.2736 396.8574 252.8967 274.6225 75017.8056 73665.8019 72756.2067 63001.3215 73158.5942 64714.8780 69293.3412 78363.1706 73947.4784 50279.1220 38829.8238 38071.7459 41077.0994 200120.3295 95818.7836 117714.2712 118717.6826 127622.7798 165723.6799 88092.8265 66644.7066 79068.1127 43472.5662 65285.0831 158272.3963 75201.5523 100703.1994 72926.3726 163945.3767 60223.7906 153036.1916 27634.7099 55740.1697 75851.7222 70982.2025 75910.2954 66133.6474 17453.9290 58078.9763 91544.5631 42672.7873 35785.6139 51601.3931 58060.0598 42221.3988 39584.7306 84725.3079 55207.7925 54937.0716 32740.7120 32813.1619 64201.2536 50680.4939 DG(34:1)>DG(16:0_18:1_0:0)_M+NH3_feature2 DG 16:0_18:1 887166.1221 1264837.0690 920359.9457 894816.7721 971352.1003 1625263.8850 847148.1321 1013888.8850 1323075.3010 740041.6509 899.3177 12403.1901 9792.6570 891.0317 11246.0132 10498.1675 1316139.7080 919286.9568 1218325.3050 1276023.4510 1198876.0250 1237222.3410 1185673.5230 1096198.5740 1191578.6620 1045436.3660 869140.9088 910967.9554 817972.0585 2277236.4910 1591978.7070 1469290.0490 1566195.8640 2016453.6180 2005151.7600 1454427.6160 1211323.1040 1266732.4160 850399.9349 1058999.5950 1972774.4720 1260655.9650 1579231.0420 1184080.3800 2997978.5880 954017.2078 2449416.6260 840669.1567 1196131.1900 1156560.1190 1664952.9920 1140147.0810 1137548.3880 621339.9512 999501.2261 1572723.4140 876630.6659 659824.4267 861370.4024 960308.6351 1001314.6480 785340.6319 1396556.4010 1076790.1850 1042463.8300 735650.6704 1064508.3920 1615832.2080 1100540.7320 DG(34:2)>DG(16:0_18:2_0:0)_M+NH3_feature3 DG 16:0_18:2 1362227.4610 1641200.3040 1094604.0940 1256754.4460 1209698.1400 2777029.2680 1163313.2390 1521259.6050 2205604.7230 1213636.9190 1501.7704 2623.9694 2108.9023 1192.9548 2352.9896 2334.6188 1894817.0090 1922881.2960 2054741.8390 1927054.2060 1932714.4560 1975811.4650 1907899.4670 2026609.0940 1880455.3430 1859572.7540 1858300.4360 1252021.0480 1260268.5470 3839145.5650 2111056.4960 2131021.7600 2707689.7390 3254627.4820 3457140.5360 2860683.6150 1704081.9080 1893091.0250 1329346.4410 1192995.2210 2770131.3450 1564651.2540 2169799.0900 1853078.0700 6602295.6550 1365350.3870 4651910.5020 1066384.5690 1819615.2660 1855537.8620 2053399.4800 1658926.2390 1555882.8600 833764.4635 1522545.4320 3013061.7900 1352930.9260 930333.7755 1253422.1700 1309682.0610 1457013.6770 1128370.2290 2055480.5810 1576583.8330 1738230.8740 1282671.1460 1571374.0850 3089779.0890 2012114.2680 DG(34:2)>DG(16:0_18:2_0:0)_M+NH4_feature5 DG 16:0_18:2 343109.9703 323372.0733 347280.6001 323481.2844 361728.5085 398597.9981 390692.1650 349611.0661 338986.5158 370295.1546 193.5512 245.5390 190.3527 186.0430 190.8784 200.6243 324121.3662 348641.3911 330441.4543 365537.0382 319006.0727 328949.2376 331761.6896 324715.4697 352629.5105 361340.3087 358004.9751 387917.7584 391170.5585 344793.0564 365936.6426 309906.1528 320825.2005 380521.4870 364646.0882 353595.5632 363230.9790 309238.9944 354897.3809 338265.9402 294289.9509 336023.9614 318317.8677 380699.6396 421795.6471 355184.2893 360157.8659 339670.7586 343931.8013 330194.5973 274000.7905 344629.0136 316492.8146 355072.9506 349165.7343 369809.2906 344112.6246 340120.6249 355551.0757 378535.3847 337308.4420 384756.1821 285824.9315 311768.9059 390989.4680 379540.0896 335655.1180 374087.0615 349830.1867 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature2 DG 18:0_18:2 66284.5780 73845.5238 54277.1414 56526.6287 49273.1476 146794.1595 50802.4956 65364.6841 84938.8883 60856.2145 204.2299 375.5311 381.9023 180.8571 356.3254 352.6616 100127.0439 93265.9537 88087.0263 77451.8179 91587.6898 96458.4261 91326.0922 96878.3510 90223.2598 110317.9362 105325.3078 71919.8296 64033.5730 160388.9200 113302.8892 101743.5587 139458.3728 179248.9284 145913.7046 141504.7176 67098.4310 79971.0073 66131.0181 50344.8051 103378.8424 67361.5430 98068.3515 99307.8304 325812.7627 56880.3942 250350.4987 48925.4946 76277.6948 87737.3354 71522.0637 71945.5987 67161.4929 29579.2907 63450.9863 153746.8742 59731.6031 43875.5716 55596.1474 52097.9224 64381.8259 50585.1719 94372.0208 65388.2766 77788.1574 59286.0226 76976.3438 162826.3417 87294.0966 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 DG 18:0_18:2 540321.6377 490585.1214 445521.8903 528297.6759 435263.0576 538340.9698 415111.2281 501687.7853 560693.2815 364422.2244 864.1172 2179.9794 2036.2225 819.3102 2598 2664.7236 608943.3656 563195.3146 556334.0675 405325.0758 582534.0980 425356.8019 634200.9880 596354.8679 541968.2266 589327.5186 573998.5792 475427.4792 463130.0400 467273.8285 612453.1442 352893.8796 493028.5423 463039.1241 440636.4252 812180.6031 462808.4915 644057.3239 458375.3235 442726.2951 696323.7432 520594.7330 564331.4032 441552.7393 1164260.5770 410504.4224 622894.7340 421251.5870 681181.2108 637598.4333 890793.5666 561819.7887 562791.3728 361102.3846 539238.1191 746514.6600 489315.9296 418922.0451 440982.0718 482814.1308 604176.4608 438220.3138 825423.9689 610788.7723 633376.4353 563482.9427 557400.2171 827475.6833 724864.6160 DG(36:2)>DG(18:1_18:1_0:0)_feature3 DG 18:1_18:1 222393.9643 391055.4489 214483.8081 236771.7242 208359.2922 833649.6968 206027.5453 222061.1993 578899.8426 247912.5738 690.5767 1159.6239 1203.1114 902.0089 1313.7511 1191.0058 408380.4497 541770.1739 435750.7228 530020.8006 408870.9748 471178.0374 437179.2886 413747.3534 527590.5778 351724.9794 346553.6327 174877.1191 229901.4904 1233719.3280 695434.4290 654499.6945 845557.1444 1114799.2890 907382.9492 579622.8164 468999.3886 362244.5732 267753.7032 171421.2718 892501.2393 240348.4943 622561.8438 526237.6523 1850435.7200 267091.6663 1603141.4310 135179.4281 359131.8149 438665.1812 341899.5629 406807.7143 365033.8212 105689.7469 285267.2786 746154.5968 220113.2341 153064.0463 240664.7909 194093.4507 221264.7707 152742.4274 423333.5340 246899.6100 386063.5837 224023.8683 369653.4602 1207431.5530 441926.4494 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 DG 18:1_18:2 640432.6762 1055792.6920 528749.7341 646815.9941 624707.5777 2363476.8770 670053.1655 1022420.0900 1691080.6680 800657.2482 1161.6889 2157.1205 2344.5604 1222.6684 2400.5997 2431.4144 1440998.3950 1492850.8440 1511297.4810 1474742.3610 1535359.8510 1459528.5440 1424851.1310 1485222.0540 1499699.9430 1678365.8050 1761780.4260 711737.6675 701511.5029 3299625.1250 1581711.4780 1548056.8830 2337479.9820 3068063.0320 2782233.4240 2284004.2800 1306559.2440 1420921.1480 914500.3495 616136.0513 1871366.4770 963511.5571 1618651.6270 1393146.1580 6110235.8230 828417.6863 4369371.3770 645726.0551 1402737.3820 1307623.0830 1257490.5710 1130118.8170 1064936.4310 329304.6321 1061996.4640 2638958.8110 821854.7100 443738.3715 813470.3036 617703.9996 1025840.1480 687473.5385 1341507.2400 1042817.7200 1567036.5510 884322.3151 1357514.7830 3547722.7760 1833550.0180 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 DG 16:0_20:4 2260536.9400 1923518.6480 2170380.3350 2610536.2200 2237074.4590 2104644.6900 1818366.3050 1941601.6520 2097139.3270 1820342.9120 1110.0555 840.6896 871.4074 1008.3949 902.7412 922.3035 2003817.2170 2124830.4080 1887342.1350 2101339.7250 2049751.4960 2089979.6350 1930411.6980 2083088.4140 2022968.2100 1746728.9500 1834493.2380 2181074.6680 2358531.4630 2170936.8570 2708665.5250 2241786.7910 2126188.6110 1659330.6290 2116977.0600 1742144.6620 1803621.4480 2199246.8880 1938750.9110 2228174.9420 2964233.8150 2181950.6260 2147822.3270 1733734.8810 1539198.5850 2015611.4030 1757492.8720 1788102.8390 2575043.2040 2327191.5470 3773953.7270 1842980.8570 2212627.2460 1927126.4620 1824846.9480 1661593.9290 1980477.9770 2154822.9750 1788255.7480 2197142.8040 1982406.0720 1641214.2650 2294314.0050 2075175.0610 1368512.2090 1789407.8840 1591767.4930 1363680.3230 1822935.4410 DG(36:4)>DG18:2_18:2_0:0)_feature1 DG 18:2_18:2 19494.9691 40163.9391 16193.1339 22420.2746 23570.2025 53854.0174 19324.7324 35927.5059 62916.6693 20710.4568 311.8555 314.8480 325.6015 311.6306 301.1887 316.9521 43928.8054 46363.0618 45350.2131 41718.0906 46047.8926 42219.0233 43698.5026 43419.0450 47153.4346 62417.5584 64504.7122 27230.1058 24421.3909 116192.8939 30941.4929 44532.7263 70993.3702 85017.1159 91391.6190 71921.0067 39355.5186 49736.8089 24098.3383 15947.0101 65532.2478 27246.5302 47026.2167 35050.8421 163372.5721 20515.4853 147305.0771 20938.4695 38505.6815 40787.6952 41140.6634 39299.7494 41396.0339 8642.4774 34680.5505 100750.8365 32237.4623 17452.4886 27987.0342 20565.8458 28537.6478 17490.6804 47698.2603 32569.8371 37074.3647 22789.6188 34802.3380 84162.2089 41428.7592 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 DG 18:2_18:3 232627.3705 344811.7575 226451.6680 239802.3035 235694.9726 828385.9089 261813.8856 365723.7902 698351.1063 293716.4850 554.4008 551.2042 551.3569 564.0304 587.6464 560.1839 544023.8996 532344.3399 562013.2632 568187.5462 582062.3927 549896.9372 528796.3844 548814.3351 552719.6879 753025.9043 767161.2011 322686.4114 330654.0366 1245784.2650 563768.1904 551996.5075 893160.6958 1175078.1430 993753.8359 846993.0833 510575.8558 538992.3059 295837.0333 241776.3686 707052.4586 329172.2667 545325.9366 582973.6472 2551870.4250 298327.8723 1641055.5840 271054.2294 501572.4989 523263.3726 488532.4783 436664.1846 426339.7348 152507.4915 367323.4162 1022476.3730 318181.9517 193270.4405 288746.2211 242872.3532 399873.7759 241568.1016 486580.6178 400301.6520 600073.9833 351101.0648 538468.5170 1280257.5200 670808.6539 DG(38:4)>DG(18:0_20:4_0:0)_feature6 DG 18:0_20:4 4394008.0950 5216381.0140 4016383.0840 5049028.7490 4845809.8780 3824052.1790 4357757.9950 4524326.6260 5253681.5480 3854233.1920 746.2056 1242.8987 1297.3269 800.6386 1355.0591 1211.0623 4822050.4430 4807045.7740 4398385.0680 4847424.1140 4461875.7970 4828851.2860 4637877.9490 4474952.0430 4962903.3440 4211444.8620 4344615.9470 6078875.4220 6467471.2900 3751049.5160 4951360.4640 5053987.2830 4927467.0930 3988535.2740 4856753.1560 4295305.0790 4772716.3190 6135014.2050 5461868.5930 4356213.8280 6968096.3150 4980674.6310 4917707.8750 4241587.9130 4433142.4590 4631634.3570 4787992.3750 5525033.0180 6557508.6780 4723324.2820 7730178.9280 4685061.6550 4726626.8540 4125213.6360 5048932.0240 4838718.2350 5145068.9780 5728491.0830 5077166.5540 3695758.0260 4522953.2830 3473098.7330 5418285.5280 4815802.0010 4106205.8070 3933636.4970 3717510.2770 4359454.6590 4016133.6120 DG(38:5)>DG(18:1_20:4_0:0)_feature2 DG 18:1_20:4 547810.5228 543513.0236 537567.3859 578600.2647 543591.3081 542840.0114 470625.5600 502296.8444 648745.5728 424947.1169 1024.9784 620.4336 592.0710 979.5098 624.2443 677.9300 540964.3934 566713.5654 511085.9060 556127.8090 527154.9601 549514.6546 504971.3632 586610.9515 535502.7965 412721.4763 453457.6621 607658.7783 655930.2395 583321.5564 904112.8960 653234.6005 602613.4246 497650.9755 572183.9766 517430.2016 522324.9137 630128.7809 530816.3838 544517.3281 733545.6179 592744.7814 574115.1068 450196.2901 598461.7131 524779.5432 563221.9604 471671.0483 719820.1579 607057.1956 1185117.1670 488198.5649 562889.9510 435944.3851 495299.7017 471737.6259 513655.8860 556692.0482 469233.9605 521578.1791 498544.5894 384384.1171 587948.9079 533929.5225 414790.6969 480252.8411 453632.6026 414818.0161 522504.7509 DG(38:6)>DG(18:2_20:4_0:0)_M+NH3_feature1 DG 18:2_20:4 72239.0309 76003.8689 102918.8957 77811.7172 82983.5895 91696.6280 74248.5709 71698.8956 106153.8123 45085.7359 330.2749 247.2476 244.1519 350.3781 233.2779 253.3733 83878.6319 96177.5312 95052.2872 91916.6291 91329.2133 91510.8175 89847.1441 88204.7472 93207.6183 91332.0948 76531.9903 117287.1999 120032.9303 103674.3359 159150.2740 95760.3264 94846.6901 79373.0134 87376.2790 88898.7419 83939.1888 99661.6933 70504.6910 79597.1549 105190.9187 82848.6088 99313.8440 66411.7223 108685.1588 68061.2489 95649.6110 73491.3437 99677.6186 97956.7344 196543.5326 77317.7637 88210.1091 85257.1863 75253.8990 78802.3940 69198.9414 75545.5604 66036.4272 103443.6059 82993.7453 58950.2750 98788.5364 92995.0509 68413.1390 77936.5459 58089.4021 84909.5876 103504.8716 DG(40:4)>DG(18:0_22:4_0:0)_M+NH3_feature3 DG 18:0_22:4 62819.0077 73850.5211 58757.8559 63082.2182 65663.2531 53211.0718 73124.3999 82631.8956 113502.7219 57083.0316 215.9786 250.3684 263.5190 220.3886 265.8913 263.7527 94770.8964 100236.6622 88887.3657 96613.7638 96535.8112 84460.0379 90435.0279 96271.5755 101752.0319 48097.1275 53635.6811 69450.9910 75039.8652 58796.8432 72354.4473 67301.3946 83167.8299 58033.6689 95502.2094 87145.0429 75446.7002 111334.8090 92002.6591 57678.5814 107600.3972 80401.8367 85177.1581 58895.3323 71128.6181 71396.5056 79922.4747 78798.2435 117249.6997 84916.1571 149201.8218 60270.0218 65814.7037 53104.6451 89179.5614 68603.1534 66303.4891 88809.0459 81958.3191 52747.6047 76252.1023 37533.3862 84948.8185 78688.6762 80787.0103 63927.5532 61610.6321 81608.4903 68848.1775 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 DG 18:0_22:6 68612.6046 64102.0826 75990.2429 87736.8732 78882.2054 46416.5575 50994.5293 51217.9171 65824.7937 40657.9422 349.7686 314.4891 335.0070 280.4328 288.2516 333.9726 76334.0776 75242.0838 71619.5915 75097.4473 80029.2284 72032.8239 72872.3416 78914.6089 73867.8906 48758.6978 41644.0046 82368.9151 77206.1957 78550.9598 86192.3292 67579.6012 75447.3119 56073.4735 68803.2353 53745.4938 64952.6732 81017.1359 59318.4845 82170.3461 124331.4108 79934.8765 74704.6748 45040.7212 43677.3046 58680.1029 58944.7767 54160.7774 83967.4861 79862.6117 191467.3718 58571.5053 87820.6291 70957.7459 60364.1190 55129.6302 57245.6679 71813.6725 60979.4258 66156.3831 72398.2017 43930.1837 85066.4665 71646.7184 35522.2771 43371.2838 42399.2830 35869.2857 57962.2833 EA(18:0)_feature1 Stearoyl-EA 618747.1878 414042.7527 581004.6155 863886.9014 87374.9496 217960.7727 279439.7265 909389.8109 920845.2878 233027.2008 7331.8631 49044.4156 30530.1685 7391.0836 83880.0133 78092.3099 186095.2446 193796.8365 177585.5128 188355.1174 163364.0155 192198.0667 174816.0617 188517.7598 191560.3920 6801.0664 7883.8492 6574.6170 8670.5208 61211.6459 64306.0426 91910.3834 54293.9207 38616.8686 73614.1547 82933.9319 144806.9151 126963.9904 64744.2016 64268.5611 65793.0098 25628.4433 52300.7132 128719.3358 73433.6598 86176.8785 72452.9106 77396.8341 66700.2290 96342.6274 75759.5591 709378.5436 69328.0789 130593.9535 66295.6666 332886.1914 69748.4970 101611.6198 1049388.7060 81122.4328 78763.2876 735137.0079 113982.7120 1075447.9070 954209.8149 809455.5223 150023.9274 592292.4817 331844.0070 erucamide_feature1 13Z-Docosenamide 4175737.9790 2248510.1100 1968417.8110 2150653.1490 2220739.5470 2429088.6920 2034990.3470 2095280.4560 2059524.4510 2106004.8750 2857965.6960 2318209.3560 2375446.8160 2682497.3960 2461007.7420 2323319.1590 19816503.4000 19446982.3300 18750464.4800 18592628.1000 18202117.4500 19169951.1800 19851173.5800 18983900.1400 19383731.9300 4058882.8110 4309441.2760 2801760.4060 2922817.2440 2571956.5530 2537945.5500 2000086.9980 1799901.5190 833367.6365 2557463.8980 807372.0319 2456444.4880 2366826.7660 1784287.3360 2559747.8590 2398672.0020 2204589.5050 2243756.9000 2250138.3130 2125582.6520 1060213.5370 2072326.3520 2046367.2000 2221201.8120 2042783.1230 2609757.4470 574556.5778 767471.6931 2538178.3120 2549278.4690 2325789.0120 2518529.0900 2304376.1840 1851588.6350 2479234.0420 2602317.2710 2333843.3910 2067516.5610 1772832.4870 2491426.5250 1855671.4250 2659713.5640 738212.0436 958432.8989 GTInternalStandard_CE(18:1(9z_d7))_2M_feature1 355179.3070 253594.7513 255495.0098 281348.0497 245132.3996 251459.0001 256983.2320 257937.8730 236316.2849 310237.5874 537.9740 561.1359 558.1701 620.2502 690.8536 687.0710 227791.8692 231070.9074 244346.7764 270663.8484 252846.4556 238798.5665 233253.2008 255419.8709 219660.2888 264944.2810 333196.0400 345033.2791 414005.7557 204435.2841 285166.1333 237355.0350 247875.2601 196490.5722 165406.3066 193087.5479 224748.7535 222672.6752 242437.0457 267771.1487 210932.1347 270693.6605 206999.3368 218351.9923 164973.7115 215181.1766 186793.4019 256463.3981 199216.1492 252076.0194 248467.9696 270090.0544 224093.6027 275434.8581 232736.8769 219561.3156 258754.4978 249689.4284 280670.7682 245943.3031 249078.2563 305501.7466 235735.6076 265957.1583 252124.2289 294321.1348 244761.4413 179192.5086 239465.6428 GTInternalStandard_cholesterol(d7)_M-H2O_feature1 Cholesterol 10534.4074 10860.2743 13658.3110 10463.6869 16122.5655 15020.4167 11958.4503 8365.1714 9182.0861 15016.2059 118.0496 99.2209 100.7651 112.0766 87.7430 98.4497 11257.2869 11079.6327 11590.7761 14614.0841 11870.8737 12490.3222 11175.7019 14319.4911 9629.4447 14531.7214 10134.2988 13346.7770 13126.0184 15860.1380 15826.3057 9490.0378 9379.4946 17788.8975 10719.9926 12033.6024 12162.1809 9780.4559 11738.1961 12377.0836 9125.9062 12367.4153 10255.3849 14596.2721 20108.1874 12858.9953 14426.9184 13116.7235 8673.4191 11314.6627 7039.1452 13223.1898 9993.5073 15651.6554 13913.4183 12765.3965 13861.2810 8687.2380 14399.1796 13040.9099 11802.0604 22370.6528 8359.6715 12501.6907 17186.3561 9927.0038 11202.3298 16413.4565 14434.6832 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_feature1 160374.7912 170590.9048 163007.1251 177220.4471 169016.3409 164681.1634 168622.4689 169289.0881 175486.4532 153583.4984 182.7344 174.4218 179.8409 180.3462 185.1028 194.6266 162343.4347 176009.3182 166611.4473 168390.3981 168198.1169 164353.8063 168309.0320 160941.5021 174510.8107 168777.7830 153145.3282 163817.0432 168291.2865 174800.0348 178967.3864 174618.9245 174626.1412 171620.6153 187230.7801 163960.8630 171653.7251 180664.7439 168391.6301 173225.5005 192555.2122 184557.8335 175565.7910 155837.2945 158518.2091 170309.5155 175274.9206 176338.7811 180197.1206 180878.5801 192381.7163 178743.5774 169197.8975 161897.4301 168624.6024 162376.0005 157423.3549 166103.2939 160844.1344 180470.7827 177419.8938 159302.0225 178140.2470 162795.8764 163577.2342 179469.7080 158168.6640 153713.9297 177503.2468 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z_d7)/0:0)_and_PC(18:1(d7))>PC(0:0/18:1(9z_d7))_feature1 1519654.0530 1401683.6540 1479472.1070 1525925.7370 1352648.1440 1455703.7410 1460177.2290 1487054.5720 1579763.6150 1448004.8480 308.9930 842.5357 691.1614 308.2744 1236.8310 1292.5255 1471695.9510 1489943.4570 1503210.9360 1452587.6920 1463187.8030 1459184.6350 1483035.1660 1428240.2390 1528470.5330 1470048.4280 1450137.6330 1474971.2190 1446841.7880 1418627.5480 1379471.1600 1413148.6090 1397229.3160 1350126.4050 1514546.1610 1488513.9400 1478367.2670 1515459.3380 1514310.0940 1410332.5090 1523885.1470 1452946.0960 1403984.9190 1366335.6120 1395474.2580 1474995.5950 1444911.9980 1474282.6340 1517768.2460 1450309.8520 1622176.2990 1470525.7380 1480655.1990 1441042.5000 1431654.1890 1424548.2140 1422337.7030 1407803.0330 1422672.5650 1440888.9570 1427963.8510 1394993.8200 1588930.6070 1483786.3080 1463211.2840 1535792.3050 1497359.1690 1496504.9030 1544149.1010 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z_d7))_feature1 32808894.4100 33290284.4100 32054996.3200 31358857.1100 37735208.1200 37944606.6500 32316166.0200 31569547.2800 32639655.4600 31855880.7300 928.9894 701.5773 712.3504 812.5977 621.3840 676.7898 33920148.6100 34918218.2200 31660016.1100 35966572.6900 34659628.0600 33226606.3500 33914373.8700 32524531.8300 35274313.5100 34714024.9100 30366870.3400 39961933.6400 34347487.3700 34784997.5000 35999392.1600 33159589.5400 36016031.7700 37648356.6200 32584617.8300 31354268.9800 32621846.0700 28537121.4200 30044048.7900 31376241.1100 31078636.1400 34540095.7200 36223754.2900 32966771.7300 34274056.9300 31784223.7600 32654771.4700 33180557.4100 33313496.0100 31825740.5500 30041287.4600 34533006.7500 33535384.5900 35235082.6400 33514476.6500 32325041.9200 32715219.7600 31869049.4000 35097185.3500 35173749.2300 34098212.8200 34982948.3900 30692043.9200 31936102.9400 34890636.8500 30755621.9000 33357873.6500 35348519.0400 31462849.8800 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z_d7)/0:0)_and_PE(18:1(d7))>PE(0:0/18:1(9z_d7))_feature1 111446.8604 104467.6867 109380.2712 108729.7512 100875.6845 111764.6885 108946.8579 102647.8356 104345.3466 113747.7950 282.1581 359.9857 358.2038 297.5346 358.9534 423.3719 102654.0128 105579.7157 104879.6319 105974.6365 105898.0581 101554.5093 103341.3462 105291.7510 105082.7355 114138.1491 107702.6274 113070.5454 107918.6039 105622.7123 104308.3098 107368.2201 101810.7979 105614.3546 107219.6033 106608.2908 104213.7799 101248.0569 105152.1987 104266.8614 104723.5996 109262.6412 103822.7576 100877.6595 105826.8064 110465.9776 102686.3735 102577.9268 102030.2992 98455.7597 106895.1585 109934.2481 108848.0243 106520.3416 96104.5094 105636.5272 106088.7409 99300.7799 100295.2235 98614.6693 103289.7666 107172.2748 106707.8935 106084.7760 107424.8923 110142.0877 110932.9384 110023.8226 107998.8431 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z_d7))_feature1 172612.8050 161495.0991 161489.5804 176144.0316 168683.3402 162095.8216 162955.0264 163563.9478 176908.6760 177992.1585 401.7041 518.5660 557.9485 415.8815 531.5038 533.2601 165064.4464 168978.0965 171550.2539 170240.9364 170556.5149 164432.2584 173911.8430 164635.5552 168501.5527 163267.7636 157909.8158 166353.2781 159974.2589 166816.0176 156614.8508 167229.7345 171794.5807 167957.5771 171030.1777 174242.8942 163452.2871 170794.7544 166301.5643 171402.0092 175495.2827 171307.4958 168923.0789 154502.8483 163318.7618 184020.7798 166791.1424 175125.7881 166350.7913 163951.2202 181320.3838 152440.7400 171408.3416 162786.9995 178194.1792 166749.7720 165509.5432 172562.5287 163616.3356 179863.8358 157138.6754 158333.6585 162960.5217 159811.6822 159010.2100 162756.6942 183747.2792 158897.9636 162009.7244 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z_d7))_feature1 331407.5887 306726.2899 321269.2326 324005.7602 332130.6237 331233.5944 307174.3905 312602.9496 330570.4054 339995.8550 491.2276 457.2893 490.5223 443.8409 418.0301 446.5432 321187.7811 313190.0556 319583.0425 324879.3270 301618.7598 310396.0369 320515.1610 316399.4459 321889.8129 325458.5266 305080.2364 300597.3182 347177.2344 345684.8034 321692.1955 337499.4142 320197.5319 347468.7167 315097.4161 290413.2925 328771.1771 286272.4297 286676.1074 344923.2843 317360.0084 341369.0318 336418.6996 304343.8522 304402.4112 305903.6845 323373.8304 319656.4348 313353.5174 318363.0217 301787.1439 330976.9395 324585.3904 353898.6299 303907.2575 321495.0445 311108.6021 300124.7066 305847.6117 343955.6082 315898.5983 344940.8522 318248.6222 322933.4554 323064.4638 332832.6536 361712.8174 314771.4976 311294.3911 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z_d9))_feature1 1733525.2900 1694190.2200 1874905.4620 1711867.9350 1778632.4660 1767492.5700 1664090.5230 1695419.6700 1807435.9460 1900024.0510 295.3409 290.3655 296.2825 290.9924 278.0260 290.5674 1823710.5830 1774020.7810 1702969.0700 1659370.9320 1743581.6450 1830803.5130 1761764.3620 1788897.0920 1735454.4220 1574366.4390 1770854.0240 1722869.4890 1816210.7180 1878712.0190 1704435.8000 1844548.4490 1767109.6970 1840280.5760 1753154.3060 1652411.0480 1732559.5300 1636421.1360 1598181.3200 1722042.6050 1651204.9600 1825718.3280 1814393.0660 1813877.3540 1795389.9420 1621399.0020 1761480.6890 1684078.6090 1746306.1020 1746209.8370 1573658.1100 1654275.6750 1679611.1830 1888199.1360 1679622.9300 1703755.8660 1647882.2490 1712322.1130 1729828.3660 1738452.9410 1789276.5050 1946767.2710 1737143.9040 1717307.4400 1703526.3120 1832666.1490 1784137.3730 1723400.4380 1782593.4400 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z_d7)/15:0)_M+NH3_feature1 3637147.6920 2336604.1190 3867918.7510 3201051.8510 3458583.8820 2053882.2800 2885547.0960 2615390.9840 1872805.9570 3060289.6790 277.1922 262.4446 289.8526 214.7688 220.8259 224.4246 2364683.4910 2388015.2920 2388179.8840 2371585.0880 2324526.2380 2375605.1660 2402021.3670 2489630.8020 2281203.8050 2919516.4880 2970412.0160 3694165.0940 3749174.2550 1580615.1650 2904335.1390 2510917.3480 2007524.0440 1711030.0120 1549508.3910 1827413.3360 2338026.5870 2180678.9180 2924819.2760 3260331.4450 1877188.4760 3480120.3740 2263524.4280 2622614.8390 1038767.1080 2867294.7860 1116472.4740 3147572.3130 2581104.6850 2572086.7700 3264520.3470 2606069.5200 2941463.8240 3987749.4340 2568694.0100 1622763.4350 3201268.0150 3561874.0620 3217456.4510 3699380.8400 2937971.3730 3263887.9990 2346038.0130 2678732.1770 2784458.3260 3482881.1540 2679975.4710 1681785.4100 2440481.2960 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 HexCer 18:1;O2/16:0 65259.7992 88576.1444 76615.0247 68105.2485 82692.4210 56286.7189 66933.9900 63324.6514 80424.0051 47786.3319 340.8937 365.0172 366.9456 344.3480 345.1556 379.8807 64161.3459 78136.1534 69665.4396 64167.3464 66860.8183 75298.0425 70129.4239 54713.0955 78844.4999 45018.2909 59736.3337 53707.7600 62501.7741 59120.9555 65325.8947 72183.1578 73748.1160 59035.4414 82824.8901 65134.5909 82868.1539 102521.5973 73416.6542 87657.6535 93154.6443 71569.2180 79152.2423 58597.7704 59189.5968 65946.5314 60302.7831 65835.9977 82174.7447 78894.9747 93780.4407 52911.6799 94888.6535 71631.3794 82878.9974 60780.9199 75032.7000 71832.2226 73974.4026 27103.7194 78940.1876 55078.1157 95760.5796 74186.8779 51681.1538 47393.1063 71259.7222 60490.7121 54395.9937 HexCer(d36:1)>HexCer(d18:1/18:0)_feature1 HexCer 18:1;O2/18:0 13324.1660 13398.7338 18742.1153 22134.5442 20561.4762 12526.3518 20609.3638 21522.4152 21013.7052 15547.2271 298.6180 220.0293 222.4411 318.0456 240.0951 258.1841 15202.9287 22024.6003 20586.6850 19467.2273 17672.8307 19165.3055 15143.7775 17069.2667 22367.3643 15674.8040 18281.8043 11899.5949 17499.2120 20590.6364 12740.6137 14289.1807 22213.2279 9633.0929 28103.1651 20785.1421 21698.6999 33913.3356 21133.0854 16536.2586 27576.8259 14947.9622 15059.2658 12429.3472 13595.9364 9693.4135 16317.1094 22171.5245 20695.1870 13914.6721 26561.3931 10131.0835 23605.5511 17938.7667 17895.9056 19003.4323 14503.3173 21915.9194 19887.1157 5947.2939 15969.2681 14493.2988 25690.1229 19046.0785 14050.7033 12685.8456 14821.9346 10268.3211 22409.4125 HexCer(d40:1)>HexCer(d18:1_22:0)_feature2 HexCer 18:1;O2/22:0 58893.0368 81251.0963 74788.1287 74306.3745 68500.4770 35474.0653 46092.6894 59198.3493 85271.2185 39207.7557 448.8739 957.0835 1058.1281 438.9554 1210.7861 1195.5178 65298.2654 61305.9189 60005.5531 62311.9733 65586.8774 63471.0371 67988.6370 64927.8758 57417.5081 43958.5247 51397.1381 45648.2017 46999.3234 74030.2405 61835.4207 70222.0548 78626.4402 72864.1053 54645.5402 54558.7689 50052.6322 77319.3022 53415.4796 77522.1865 84830.7304 81994.4644 87442.6828 47473.7489 68343.3417 40531.7496 45317.4743 72389.4140 66109.9757 83273.9335 98293.1570 90159.8119 77603.9275 87406.3563 61151.5784 48722.1642 57332.3893 52722.7685 55991.7153 57598.1414 86269.3859 65627.3461 94110.4512 85648.9764 40763.3335 60873.8709 73858.4781 64679.9958 43522.4974 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature1 HexCer 18:1;O2/22:0;O 48994.2237 97398.1434 74940.0531 126397.2299 46945.4003 39820.4901 50882.9060 76869.3599 71675.8197 46073.1727 635.3500 442.6983 421.0585 667.7263 440.6499 478.3644 92114.6452 87115.2136 72103.4070 87815.7160 88652.3701 85857.4435 81749.6460 84984.3516 89422.3629 100550.8650 112084.2049 71225.4006 72129.1705 100320.7050 107240.9403 120536.6998 118944.6911 84427.4165 106926.4810 87439.7705 101162.0910 107911.0199 92255.0498 125824.4729 128008.9105 132382.0274 105688.0821 74389.1192 48880.0467 70030.8160 73650.5613 98864.7416 90173.5050 112859.8565 108291.4776 93740.9315 89717.8807 88726.1099 50666.5250 39620.1639 54768.4506 60025.5696 55619.5140 58330.7350 106693.6511 52056.6462 83022.8083 73671.7836 44285.6756 72527.0466 73279.5919 44907.9017 72179.3892 HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2 HexCer 18:1;O2/22:0;O 25349.3681 39615.5728 42591.7629 58193.6742 28021.5010 18276.3607 33356.5042 33387.3317 51876.9956 26723.1531 500.2685 743.8689 689.5745 451.9663 677.9955 677.8768 39732.4684 38276.2150 43987.0016 52104.4241 48939.0396 46442.1990 47864.4224 45734.4716 33526.4123 60806.8562 53755.3986 31992.6588 50303.3258 39059.8266 32853.3272 47473.9282 39369.4358 39438.7732 41245.0791 29697.7957 34158.9922 38670.2753 37158.1754 57532.8527 48187.5226 43460.8394 40588.5828 38600.3679 47872.6965 35362.8006 43222.3871 45959.1088 52250.4092 35272.1277 62532.5195 39202.3045 30449.2537 36172.1722 46187.2030 24922.3154 30418.7221 35327.4309 45441.4676 31967.7196 50711.2317 26192.4451 49209.0313 50011.8193 19802.3216 20440.9751 34099.2767 31094.8233 30323.7061 HexCer(d41:1-OH)>HexCer(d18:1/23:0-OH)_feature1 HexCer 18:1;O2/23:0;O 50654.0743 94304.3421 80313.4403 99416.7288 46324.4697 39969.3447 51176.3030 50186.3654 82718.7160 38206.3657 549.7617 524.9039 541.3675 561.4512 567.4855 596.7922 86765.7687 70035.7333 85163.8793 80618.3444 75658.2966 88362.1024 67870.9373 69315.7587 94428.4012 129636.9104 124729.9093 76918.4777 76459.6784 84382.6331 99816.6289 91602.2725 130783.1339 73288.1656 91092.9775 66725.5823 78894.8804 109769.2286 91051.8891 128563.1938 88418.5976 126883.7132 90562.0642 78745.6641 43685.7061 54708.2964 77378.7241 80038.6611 73265.6674 92545.2357 88109.0611 91221.3982 94746.5022 68712.8487 43661.8112 44298.1435 44665.2741 43432.8867 59642.9993 67518.2805 106268.2654 48731.5484 94765.5466 88740.7349 42914.1471 67374.9496 50190.9532 35780.8657 67424.6734 HexCer(d42:1)>HexCer(d18:1/24:0)_feature2 HexCer 18:1;O2/24:0 150159.8463 211593.0609 421182.2669 197965.5474 156669.9910 113647.5153 146963.1515 138102.8017 157779.2222 78553.8702 751.5880 1590.9553 1606.7495 691.7719 1475.8704 1486.0487 162591.0763 152161.0966 185651.6964 171144.5080 183870.4662 138006.3916 180574.0842 160184.7687 167017.8233 120911.6883 132731.1957 144926.1201 133093.2087 167909.0112 150880.8680 167034.8736 148983.7548 160886.1489 131469.5120 184764.5061 117516.6142 168395.6373 113311.1289 196828.8090 216559.6812 182355.8429 200932.6027 149079.9058 127075.3942 132523.2000 122094.4419 147622.8990 142917.2368 241072.1318 251009.6507 178433.9576 222784.3605 225302.9751 145493.0059 114146.4152 106391.4171 158805.6022 138641.8128 159837.2272 214675.5720 159768.8522 241479.7300 197513.8956 121649.3005 116778.0441 169910.2257 165944.4837 127863.8583 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature2 HexCer 18:1;O2/24:0;O 125388.2975 299609.2551 215465.8010 303981.6874 118575.3132 111504.8804 120914.8174 184553.4731 174461.2607 115027.9730 614.8353 825.8901 759.9061 577.5728 743.1315 849.8134 237253.3237 251420.3030 223129.1260 232893.1452 240160.8615 270252.8013 246398.5844 206613.0754 247332.2592 299036.5837 292538.8610 173281.5791 174295.8119 267470.5580 244663.8748 303902.0628 290280.8665 214193.9446 266055.5044 196839.8639 257823.6473 232740.7313 212901.8117 328580.2527 281172.4513 234358.0181 243294.6877 219125.0313 101830.7239 164988.8525 166031.0350 251788.2920 209427.6383 283825.1522 326421.5834 261827.2723 216662.9865 245244.8497 125497.5034 110083.7147 116335.4234 130009.4199 118847.7722 173218.1827 316370.2864 144973.7816 226697.3740 206496.7954 99534.1462 166851.6563 180688.7393 113988.0343 197008.5780 HexCer(t40:0-OH)>HexCer(t18:0_22:0-OH)_feature1 HexCer 18:0;O3/22:0;O* 277197.5457 602643.3214 390053.3345 430782.3706 319807.2108 226573.8225 320349.0691 512876.2793 557741.7675 233509.7899 542.6961 573.8549 533.3581 509.6870 576.2291 582.1413 402238.4106 513288.6118 378875.8208 416033.5458 425593.2314 458389.8113 422303.6015 301348.7091 530753.3986 425864.5829 380045.6188 352095.3030 419946.7136 447015.3558 359112.4055 377006.4450 527129.5015 355731.6111 545153.4995 369808.3559 364372.9514 597067.5383 395195.7462 431177.6903 587624.0677 462744.9814 510544.6716 326543.3789 299264.0100 326877.1663 324476.8076 548276.7041 421223.3600 428890.6201 515698.2005 430810.6277 436031.2284 438684.2448 487206.9190 375663.4533 395366.8954 317772.8796 330843.7966 281688.1735 517550.3180 262503.3877 561137.5293 430498.1407 244004.3156 352238.2114 387642.4613 413465.6316 364844.5960 HexCer(t42:0)>HexCer(t18:0/24:0-OH)_feature1 HexCer 18:0;O3/24:0;O 173935.4786 312845.4931 383410.8102 255581.7915 256652.8221 142078.9548 217786.8790 248603.1807 390187.3653 142928.3370 377.1333 582.9551 613.6875 399.8822 593.1220 624.3247 321627.8198 300048.8664 315711.0237 304760.2548 298348.7218 301419.4100 291012.4268 320315.3125 323567.6781 222927.5687 239155.8822 193546.4035 198343.6216 269847.9773 238837.0230 232394.2406 339835.8259 244203.2382 299418.6539 249574.1358 220871.3681 330016.8174 233683.5737 237602.8078 305893.2831 243821.7973 324203.0424 218882.2458 229663.9205 196497.3197 238929.3145 285325.0121 301360.9482 313281.9556 384898.6931 282497.9214 292979.7527 287319.2936 295594.8501 178480.1593 198167.4657 235482.1790 209041.7494 165699.1881 443756.0693 214193.2467 300983.9814 263630.2750 205738.7487 218450.1737 231886.4775 346694.7036 199353.5889 HexCer(t42:1)>HexCer(t18:0/24:1)_feature1 HexCer 18:0;O3/24:1 50313.0008 69507.2794 68053.6135 60500.5315 54139.9583 42897.4422 48074.3013 50897.3641 55951.9281 42642.3795 482.6070 698.6271 735.6788 556.4853 775.1570 889.0171 62635.8089 60852.3828 60890.0742 60714.1997 59328.5281 54402.9772 67405.0929 62791.2895 59625.0503 45501.9436 46611.7485 42272.6682 48369.0730 62838.2757 59270.7315 72789.3557 73448.8959 60141.7046 55746.3412 60362.4836 51484.1140 66774.2197 60192.5099 62172.9446 76583.7564 69986.5243 55728.0387 54168.7174 44568.4852 51221.8312 56123.4335 49249.6516 59500.1395 66372.5105 81057.1048 56524.1251 59432.0057 48373.6315 52916.1970 42324.0276 49590.7561 53548.2345 51132.6201 51065.4681 70008.8954 33721.7231 67222.2900 64853.4032 56374.3133 44687.0738 46048.8442 50073.9426 47318.0039 LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 LPC 16:0 47450.0954 42102.3939 71743.3410 73500.6074 49544.3519 46852.9576 39552.2804 55806.8798 61496.3809 37535.5517 187.7522 2360.3564 2453.0616 150.5955 1447.1392 2111.0096 56637.2864 45765.2605 47942.4612 51327.8293 56888.3485 48983.2836 50621.1603 52441.6976 50387.5983 44476.2482 37867.0030 46207.5591 43843.0774 37114.2940 37410.0238 35130.0072 31282.2077 43260.7898 56979.4060 33664.9378 58774.0946 56172.2035 44476.4604 60631.1908 58869.5803 48185.0386 32108.9830 29597.3445 32226.7393 33677.5168 36933.8088 49445.3126 58166.6668 45220.8128 65519.3428 51068.5629 61004.8068 32823.4348 47640.3454 61648.5525 39035.8371 32147.2058 54796.6491 62803.5593 46191.9254 60099.4774 70904.7980 58038.5255 34501.6652 103936.9315 81139.2541 63676.0505 104827.5032 LPC(16:0)>LPC(16:0/0:0)_feature2 LPC 16:0/0:0 12725724.9400 13538892.9600 14705719.2800 16755621.9500 13776814.3700 13744794.4500 15524522.8500 18206100.5300 22156923.1600 11345238.0200 5948.6269 1898.9525 17973.4595 5871.5078 3478.9649 8244.0097 15485645.0200 15049097.0700 15919855.3000 15887132.8600 14980592.3000 15145737.5800 15260132.5700 15814222.4000 15466172.0600 13318580.4100 11970900.5500 13367516.1700 12996086.0300 12421469.7300 10342930.8000 11578052.5700 14385416.7000 11105538.2500 19468005.6500 14203070.2200 17141341.7700 21718472.0900 17369679.0700 14379712.3500 17419237.2200 14150390.0300 14537923.8500 9260528.5920 11388137.2100 15779437.5900 15983434.3500 17379218.7300 20765864.9500 14652397.4600 22338304.1800 13715453.8400 16454202.8700 11906894.2500 19326007.2700 17189215.0100 13281980.1000 16689323.3600 15205396.7600 12927438.7100 14827350.7800 10196842.2900 17472796.0700 17478979.0100 14099000.8600 18045678.1100 17630528.8600 15928064.9700 19533955.1800 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 LPC 17:0 273396.2801 241012.6259 242690.7329 294834.4486 246715.4792 254794.7479 305698.7433 355373.7356 429678.5577 245565.6333 307.0255 312.4944 374.9188 305.9920 298.9302 313.3616 305486.1463 302537.0818 300560.1880 300760.7993 301674.5338 313854.6550 300949.2038 297689.6139 305083.2793 326116.0677 322101.5815 342721.1030 332632.6767 229649.7849 191379.9404 232460.6352 324057.6638 232903.3233 385782.6726 295274.4241 304838.9993 421160.2229 314548.7271 280959.1538 361446.6670 257293.7390 311210.2300 187004.7326 233434.7612 280302.8007 343618.1180 355472.0919 378024.0327 259566.7365 369141.6214 251265.1983 305275.4729 199797.0018 377568.2512 384920.6826 294168.1140 315392.8087 292190.3047 179662.5962 293502.6355 179358.9526 330909.1397 331215.7403 309053.1452 363743.7216 342079.8700 290826.4472 382118.8504 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_feature1and2 LPC 18:0 31949288.5300 38109230.5000 29855558.6700 37174236.6300 27247137.5800 23016567.0100 25194348.4400 33319160.8700 41287031.3000 21192643.2600 6793.5155 5940.9072 21762.7300 6784.9395 8458.7672 12308.8941 30803381.5300 32678816.3400 30108523.0100 28158507.7400 29678840.2700 30523332.6600 28355755.5800 31419039.7600 32411274.5700 26714785.0400 26944234.1800 26104751.7200 26616074.1100 29863155.8200 24474483.5100 27609774.2400 32063281.8800 28225962.4700 31489841.2400 28702245.3500 29860652.8500 39266756.3800 34338412.8900 38480238.2400 37822425.5800 32631965.5600 33338319.2100 25014311.4400 20785501.5900 28735048.9400 33446772.5400 29890475.1700 36735387.4800 31716403.3600 44965813.1200 32123059.4100 36686992.3200 22137977.7400 29929579.5400 28562839.0200 25937496.5500 29974590.3500 28076957.8100 22543052.8600 31932419.8200 20635814.8900 42420721.1000 38285383.0200 27588813.6900 27645484.2900 29600113.5300 22237864.4100 32847672.1600 LPC(18:1)>LPC(0:0/18:1)_feature1 LPC 0:0/18:1 233487.6112 244206.0788 288555.3749 298767.4874 190299.9010 210161.9330 191987.2641 283247.6893 380868.6875 176692.4893 102.0435 145.0398 150.6646 125.2688 450.9859 189.8273 342591.5338 210715.6724 252824.0135 251250.7656 247186.4301 217995.2295 290361.9237 267170.5124 293989.7316 24789.3176 160328.0888 20026.6275 181384.4074 184615.5866 202596.5360 225738.9734 256950.9632 175919.5581 299261.6928 175829.6957 239550.5814 261468.2745 236065.0126 266055.3973 260976.8842 244053.9320 205979.2304 153511.1533 147503.0025 221522.3254 226389.1424 245777.8276 1409475.5860 242195.0942 385846.8859 290904.7533 220839.0475 200022.9059 215735.7606 218885.3638 154998.8999 288364.7509 170348.7646 219953.2411 238434.1705 197750.8313 332010.3349 309762.8149 235886.3913 269131.7798 269610.2663 257503.4980 334800.7450 LPC(18:1)>LPC(18:1/0:0)_feature2 LPC 18:1/0:0 1197215.5290 1120093.5350 1352573.3900 1645615.7810 1108131.2650 1084276.9350 1212999.7220 1618114.5370 2000771.6880 920279.0814 337.4205 16264.1009 15925.9809 355.1834 12095.1330 9495.2421 1522894.8470 1298800.4340 1224439.0410 1266933.8560 1224221.7560 1321622.3450 1545543.2560 1287825.5590 1335592.1080 1255356.6380 1090237.1150 1241460.6680 1065394.6840 1062842.5590 1019776.3580 1020169.6510 1386426.8180 985820.2880 1363690.4400 1083090.7730 1303314.9500 1718960.6920 1424630.6070 1489654.9660 1585281.0890 1348813.6410 1159647.5230 848035.8835 824809.9856 1254370.6510 1334613.9000 1495865.1520 1668798.8490 1310284.8020 1991817.2230 1419567.9420 1428907.2650 1073267.5480 1356078.1380 1298548.4340 1024323.9360 1242186.7250 1174450.0280 1180334.5740 1314213.2180 996672.7927 1734181.4090 1540616.1980 1150265.9550 1668626.9610 1589845.6280 1485029.5230 1914580.0130 LPC(18:2)>LPC(0:0/18:2)_feature1 LPC 0:0/18:2 420134.4855 1409480.8650 629114.6051 755538.9451 457948.0210 582692.4663 340426.2822 516687.0735 752139.0987 424889.6515 218.9450 5084.2270 5308.6212 284.8625 6981.5564 6099.3708 483291.5530 507001.8206 406929.1850 429867.2454 479682.7995 460045.8420 362125.5186 577125.4463 463398.2029 265004.9833 561402.5397 448814.7108 361182.4049 275403.4372 266827.3866 259498.9209 576833.3061 321810.4490 428253.9698 430993.2623 526967.1485 666333.8301 629330.0872 345511.3377 490095.8722 370660.7897 289690.7642 320473.9401 450985.4532 346796.8260 489994.8613 344731.7399 549618.7167 711396.7049 791370.7362 502774.2623 534887.4397 305021.1760 663051.2688 384265.0256 260347.5940 457812.0770 430262.2979 456422.2763 309212.3797 302027.9824 868430.5433 83287.3239 617042.1093 672257.4532 516036.0404 567288.2827 774237.6758 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 LPC 18:2 1101567.7800 1454739.0390 765443.6810 2136186.8060 920443.4201 706941.3575 1059980.3980 746624.4047 1831316.3180 1318620.2900 261.7066 6641.1972 24226.4177 306.1257 9379.6996 49888.5943 1451749.1070 757805.8150 1104364.6910 1219966.2630 959423.5754 837530.5576 1213549.2010 987094.8036 1335167.8040 961951.9864 869291.4916 812751.3759 1163297.7010 786036.1062 869035.4269 792011.9043 1292734.7750 840139.8270 1272208.2070 868635.3442 1432512.7870 1653575.6500 939127.4317 740211.6744 983198.3775 664402.7084 900213.1284 787856.4107 766671.6768 680799.3918 1334384.8810 1146331.0820 945968.7332 1397729.4740 1169288.4020 1327891.2380 1397981.0280 918569.0644 1080536.6740 1131176.7990 692066.7024 1187113.4250 846878.0289 1080609.2220 753320.7688 1088111.7810 2708630.1820 2011963.3810 1283592.5550 2206161.0050 1511783.9540 1116271.5470 1721543.3490 LPC(19:0)>LPC(19:0/0:0)_feature2 LPC 19:0/0:0 128899.2722 133108.9307 122645.6267 138572.8669 133754.5208 77806.8368 246128.8727 145905.4297 147318.2270 70666.9474 374.5640 571.6689 593.1412 342.5844 502.3661 477.6642 135306.8597 147846.2430 147996.9950 155915.3015 132059.7330 134003.1506 142866.0592 155103.3063 139514.5630 156768.1121 118267.2825 150801.9162 129363.5314 118363.0398 98084.7789 133120.3325 162622.1939 123009.1194 330192.4105 100894.6406 275237.5975 131440.1178 243869.3413 151777.2027 182682.2616 136613.2780 160993.0458 110500.6351 177997.8265 80184.8613 102333.7935 310691.8312 287534.5709 138728.6926 184943.0004 129820.8383 167094.7617 110482.7390 176537.2329 196661.5046 96117.2597 103044.4869 134129.3782 115799.5327 152156.0571 95505.9033 164947.6779 154847.7198 141966.2059 152382.7671 112235.7451 120882.3471 161401.0952 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 LPC 20:0 108557.7870 121051.3353 125452.3558 149198.6749 109522.9014 82926.6803 97835.8548 129890.1741 150546.1457 92020.2878 896.0118 2485.8875 3065.1395 986.2082 3203.1959 3142.2799 111893.6118 127513.8641 120235.8021 119763.1226 126726.8948 118997.1513 115526.3901 116866.6693 123129.9385 92586.1801 102024.5453 98542.8058 95695.7086 126895.4173 89974.5346 123801.3094 163096.7177 99769.4861 142375.9366 109097.2332 123961.7811 164515.1010 114729.7092 130926.7179 197535.5493 117510.0140 123233.8063 93460.8868 73487.3989 94517.7052 135946.5821 137920.6438 129604.7925 146018.7883 236408.8125 123112.4167 139732.9658 104249.3614 136396.6895 128537.3696 93398.7653 135046.7231 105816.0383 105012.8059 127413.2794 82681.6496 151678.4373 138407.8144 94789.0280 123995.3996 117647.2636 94792.6660 149128.8069 LPC(20:1)>LPC(20:1/0:0)_feature2 LPC 20:1/0:0 97604.5782 110576.9516 118272.4207 172792.9238 99229.3054 83401.4662 93623.0124 109615.0033 115719.0817 75799.5188 227.7727 926.0121 1182.1826 253.1996 1218.2522 1157.3003 113527.7151 116614.0030 114550.3918 114060.7520 120685.5950 110258.8040 112356.2100 112763.9543 118929.5123 117353.2317 123731.5940 121247.6929 121536.9802 86765.9090 102309.6922 109155.0840 123101.4216 110948.0604 130607.2992 89078.7582 120588.6513 137613.0512 146297.7209 124274.3291 134282.6641 121834.4124 121310.8939 67810.9041 63618.3527 87765.6643 140700.5286 137608.5787 121998.7357 134258.7494 194433.0816 109580.7892 145494.7696 84031.3110 123650.4398 123660.2667 106960.2423 113425.1778 106913.7527 102876.9313 141308.6717 93724.9864 194033.8976 152790.6540 112767.2723 137366.5675 106294.1577 83135.5815 117711.7026 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 LPC 20:4 1140152.9870 1098864.2710 1304480.0550 1304968.2860 1241705.4410 1624096.4270 1591290.7050 1609324.5840 1861144.1260 1146804.7000 362.3959 14761.9899 21403.2724 328.8262 21916.5998 10823.0812 1216944.3020 1208315.5380 1226202.6310 1213517.8930 1187465.4310 1106927.0480 1080361.0720 1252086.5130 1295116.2250 1477574.2040 1396552.5140 1683411.6870 1479983.3770 950403.9107 1010700.7470 903172.5359 1060624.6630 952306.5545 1643601.4300 1117998.3390 1588054.8750 1687829.8780 1320647.5740 1387547.8840 1538053.1960 1057352.6560 998837.4923 746458.8077 1042924.7420 1504902.2930 1222342.9930 1651135.3880 1830444.5830 988637.3248 1894650.9370 1016046.4760 1207931.3830 899392.3538 1548987.0360 1036767.5360 1134035.9510 1146607.4740 1151230.8020 912358.8672 872822.3692 742416.6246 1286062.5030 1250706.9590 1134097.2950 1377206.2180 1374536.5460 954902.1801 1491534.4310 LPC(22:0)>LPC(22:0/0:0)_feature2 LPC 22:0/0:0 54068.8514 68173.3120 55244.5833 68408.3722 57283.9695 40529.5811 47242.5624 65095.1167 72214.6033 40890.5263 237.8603 318.4991 292.2887 216.6831 324.8740 290.9785 57321.4151 61550.0426 59080.0277 56696.6710 57283.3059 59969.1800 59119.0085 58634.5193 58778.0871 46174.1887 45397.3215 45158.4080 40941.9331 61669.4749 46293.9179 55955.7358 68868.8491 55266.8005 64494.4944 51550.9720 63125.4952 84634.2776 53144.5083 65425.0744 82753.3868 57555.5179 64562.3740 48528.3743 40605.0669 48915.8235 54696.5149 67522.0516 64155.5942 58472.6508 92516.5788 64362.5195 70666.5227 57360.1671 62273.7263 56543.2424 50218.5459 57679.1428 55882.2109 54258.4256 58236.7362 46665.5020 68445.3759 71235.1784 48077.8415 60471.3325 60865.6026 44480.1508 67189.4792 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 LPC 22:6 131139.0769 148583.0805 141523.8891 167488.7717 153525.1677 104322.6216 126378.1743 119085.9179 142587.2013 96404.2572 147.8120 1174.1475 1212.0583 142.9093 1133.5916 1165.8077 113857.0204 114820.9865 125914.3878 116868.2130 109333.9454 99571.8214 113214.8121 108131.7777 131224.2186 87545.7958 90399.6703 88563.6812 102395.1049 110366.8972 108253.2311 102312.1218 136741.7662 102061.6013 138310.3754 108415.2199 111696.4610 122751.3657 133261.7847 159945.4516 171588.3286 125890.3892 128441.7366 85363.4974 82032.6995 111462.2786 88906.0638 111833.4076 123807.0005 115449.4225 240784.6989 122685.6055 121697.4103 117273.6137 119026.0884 111398.7537 105100.7345 124054.1252 113873.4059 107883.7126 124607.1785 87671.1344 149125.9575 158476.2276 72307.3666 99695.9027 115554.6886 76770.0683 114443.5205 LPC(24:0)>LPC(24:0/0:0)_feature2 LPC 24:0/0:0 213523.4810 224889.4936 205392.2528 202376.2884 242650.4014 263350.6209 324495.2011 384279.7701 481912.8382 237802.1168 402.0452 381.7556 399.6152 376.6328 384.3869 387.6624 298904.8245 280899.2351 289498.6179 292690.3459 287157.2717 293390.9720 281062.2863 282565.7000 301705.2375 320875.0574 303431.2512 375939.2527 376320.0334 250592.2540 136306.9022 206283.5815 257338.1189 184135.7574 542882.7872 431939.1142 403877.7792 562071.3932 359096.8375 238285.6348 347976.6902 220712.3930 247283.1953 186896.9579 206356.0230 355408.9411 444786.7942 357169.5122 475369.6343 209892.3845 384345.6037 192714.3772 265871.6641 164346.2268 442807.1079 302637.8459 300642.2010 405660.0911 370232.7536 171222.8544 198748.7504 101421.7791 223247.9952 221657.7216 229400.5147 259098.1606 299666.0868 191526.8126 354497.7990 LPC(24:1)>LPC(24:1/0:0)_feature2 LPC 24:1/0:0 24437.8406 24610.4375 22897.8939 26522.7938 25302.4039 22722.0993 28201.9118 35539.0060 36573.8998 21454.0044 230.9907 359.9793 331.9930 236.7648 355.0307 322.1603 29143.3459 29498.4983 27361.9642 29108.2612 25126.7182 27289.4009 29854.2872 29455.1290 28404.7454 28286.1791 25307.4051 27916.7447 26669.7800 26418.9785 19669.4152 24603.8378 31049.1871 22688.9155 43933.5512 32695.2208 39048.6543 47786.1028 31041.2830 27283.0110 32757.5457 24006.1481 29032.2362 22096.1031 19128.4604 29320.1996 38452.4759 40909.1238 39005.7827 26410.2748 36950.0607 23017.3945 31221.9782 20235.8928 38836.4474 35699.9090 27914.6233 32743.5567 34111.1858 20299.0297 28349.8460 19432.4834 29840.8367 32052.8141 27966.0313 28114.1923 32161.5875 24728.7986 35707.1690 LPC(26:0)>LPC(26:0/0:0)_feature2 LPC 26:0/0:0 143234.1379 115952.5507 130574.7518 93332.3953 141450.3864 443974.5686 447007.3161 610657.3090 569864.5915 365668.7845 271.6257 263.6850 261.7758 249.6728 244.2314 253.2273 305381.4187 309470.3255 297868.8884 308109.4807 262950.1989 295609.4576 303910.0864 317554.1267 300517.0991 519244.5317 506320.3059 686661.2247 615746.8714 157916.5181 86790.7182 101802.7341 131043.8534 110190.4173 722173.2675 595507.8962 523235.1576 660418.3499 442855.4375 116862.3695 183729.2649 122133.3549 122375.2249 125788.5494 361126.5620 536466.0508 515596.4516 480722.0995 632655.7720 99794.4227 214633.3694 99487.8957 138435.3578 111550.7967 531726.3501 327723.4388 347619.7601 512647.0185 536561.0442 91211.0830 114574.4233 61913.8017 103946.7391 87151.8321 270775.6928 285025.0133 337935.7176 233516.6195 323580.4310 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 LPE 16:0 160269.2701 174043.1265 182482.1180 198769.7356 160065.7171 159248.5825 158514.2705 176915.1576 213187.7975 133547.1484 288.6675 697.5589 645.3561 282.4773 632.9789 612.6918 168708.6729 171271.3062 172957.2309 170160.7145 162245.6050 171658.9105 163642.5454 170734.7207 174177.7967 140559.4137 132141.1478 163461.7221 151883.6848 175542.4364 158173.5390 156767.5959 186360.6363 153529.2011 198485.0035 171108.5047 157298.8156 220839.6591 193168.4999 185105.5746 239797.0594 190677.7627 172024.5968 116105.9307 116128.7440 171390.4873 171182.4098 180686.5020 202433.5353 177110.7579 259130.6241 133614.5696 190077.3805 151956.7721 195582.8515 159946.8359 141751.5552 170783.3090 168519.9546 159164.9109 176137.8055 125283.5651 193685.4152 196703.9052 136022.6344 155443.7999 163649.2032 134793.5169 190457.6073 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 LPE 18:0 298382.9473 311847.6687 296768.3132 332619.5024 295419.6135 269640.1899 302884.0291 306363.1436 358071.6164 217380.5441 242.9037 6796.0664 6561.1167 256.1152 5450.1883 4965.1634 306321.4251 322601.9184 309144.1962 314929.8622 288817.2537 304723.2427 304172.3874 315393.0649 318959.8028 269216.4149 275886.8301 291806.8747 292310.9055 298835.5256 300083.9391 295939.9343 354174.8018 287897.5235 372348.4543 304249.2736 300316.3586 380759.6454 314446.7015 383228.5032 375246.5454 358331.9101 346191.2622 219539.6572 208370.2798 291590.6482 289115.8364 310532.4852 364097.8711 316368.0226 467733.1543 281439.9546 338034.9332 263795.5773 327110.9864 271406.2680 242327.0990 328803.3919 286359.7894 279531.3702 386794.3430 227000.3914 359715.5868 343859.1979 261370.6728 293280.2455 320285.1764 256239.1644 345027.9767 LPE(18:1)>LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 LPE 18:1 55828.5632 62990.5956 74451.2840 88861.4730 54005.4397 73806.1098 54082.9423 58474.6780 65292.4751 43523.5834 284.3303 1929.0794 1467.8090 293.4453 1739.9202 2291.5927 59550.4974 62316.7793 60532.5194 59364.6776 59862.0497 61785.4341 60966.0864 59612.4202 60777.7425 61049.2484 58983.1938 68311.5855 68606.3956 58195.1729 94606.1592 57382.7649 62939.7350 60502.7803 63184.4891 59780.6261 56077.8708 65716.4266 59827.4349 76285.7864 81060.4854 62365.6626 52689.8211 42089.1688 34064.9509 54756.6773 54960.8344 65348.6605 68050.7024 53551.9499 109022.5023 62832.8680 66062.9454 55528.7909 55980.3709 53010.0982 45407.9208 56000.5000 47966.4333 56388.6208 64599.9903 42910.1028 68963.6470 65313.9304 47324.2444 56327.0386 54340.5150 42002.7949 63826.1206 LPE(O-18:2)_feature1 LPE O-18:2 27349.8505 24343.5620 21598.1481 29447.3759 20657.1945 22633.0061 35977.1183 36087.3541 35296.1827 25496.2395 243.0356 2564.7552 2814.2375 257.2550 2802.7197 2384.4573 35027.2670 28248.6481 30153.1049 31108.9181 38444.1139 34281.2232 29488.8901 33791.3963 29939.0237 38870.5149 39720.5811 36089.3830 30233.1054 21131.0959 34832.1443 21108.3388 28500.3241 28249.9459 34280.9779 32645.7183 30371.4056 38161.3676 31839.6625 24363.2110 33296.0215 31388.3492 29961.7636 16023.4136 26084.5436 35175.6320 41669.7905 32631.7107 46893.0119 28212.1179 57700.5391 22977.5854 35823.5709 21521.5036 27594.5120 31008.9530 30776.2820 39760.9442 26157.2018 21351.2152 47396.6997 17222.3013 24855.1214 30709.1457 30726.4993 37096.4769 40792.1782 42304.3461 40762.4208 PA(34:1)_M+NH3_feature1 PA 34:1 77875.7359 45774.3917 75141.6035 63252.9647 54141.2133 67363.5932 59303.5808 47664.3517 82751.1415 49220.2852 203.2829 283.9215 278.2137 206.6227 300.4883 290.5622 67526.0185 51243.0903 61804.9241 53205.1689 42376.5841 50755.6799 59714.5512 64295.3755 60675.7521 69661.7005 56362.3358 58710.7848 56292.6464 65346.7910 70380.8998 83441.6381 67877.1104 52587.4857 76392.5011 62095.3568 50264.1887 73589.3334 42269.0508 83312.4363 68626.6856 64409.7906 64984.4512 48512.3341 32905.9233 57122.1059 54769.0521 40232.5799 47334.3703 68903.7378 105844.6979 67027.2493 74115.7598 79147.2016 45608.4463 24575.3034 46268.6647 65153.6181 49952.5418 54102.9949 64558.9983 46155.6464 74721.4132 80147.8643 34557.5622 68905.5929 50286.9548 43279.4571 8189.9732 PA(34:1)_M+NH3_feature2 PA 34:1 518873.9085 622718.5438 503819.5915 459237.2883 527651.3735 579288.7522 760234.8401 840333.4570 821216.0732 569519.4298 731.7611 438.6706 444.0942 663.5050 799.9285 481.3386 591720.4060 551944.9976 569096.4124 599526.6006 596145.2959 614398.8047 591980.8071 580886.0756 548768.0863 767646.4308 722306.2584 676054.8248 700665.5043 543797.8862 472220.1714 589870.6824 617192.7922 410324.5612 929381.1142 847093.3288 631076.4307 905881.6357 731938.8553 433977.4848 719707.8218 608260.8304 542386.5807 423777.7648 499135.7989 723403.9334 579222.6599 613068.9720 875228.9846 495192.5697 728209.5405 420770.7227 604174.2949 371917.8044 682480.8634 535790.3882 662500.0747 723585.7704 669996.0484 434428.3070 484708.0506 269324.7335 498668.3225 547227.5242 478318.5082 542071.7876 513255.0484 367936.2306 580435.4403 PC(30:0)_feature1 PC 30:0 4917196.8550 6043643.3070 6560476.9580 5476607.6860 6085027.2020 4692906.1590 5715457.8690 6053118.6170 7173393.2130 5180995.3720 244.8696 241.4139 262.6471 231.9621 234.5111 235.2029 5751999.8820 5458099.2600 5796662.4940 5567683.5050 5478193.9880 5473061.0140 5762557.0770 5611855.3010 5670314.3740 4680238.8380 4866136.5930 5402316.1890 5659322.7930 6653987.7200 4314575.8700 5556094.4420 5946464.2020 5171868.8550 6987669.5630 5562229.7980 5621663.4490 6656829.0940 5755426.0540 6293381.9990 6880813.7490 5662283.2420 6376912.8790 4329998.6370 4425010.2450 5837114.2500 5208214.3430 5565849.5800 6893949.7530 6047088.7930 6844261.7200 4816977.1560 6053272.8730 4742504.9050 5290814.3290 5408188.6520 4525083.5070 6215006.0110 5820846.1890 5380883.7360 4984616.6080 4060049.5140 5670904.7260 5687852.4480 4137107.2160 4827478.5990 4740800.0310 3669613.9060 5837506.1980 PC(30:0)_feature2 PC 30:0 90895.1136 76152.7934 92353.7516 86475.3829 110383.3885 76060.9450 59905.5727 64971.5849 92758.8310 45337.1349 281.7923 200.2848 210.6166 214.3438 174.7301 184.0312 92578.2972 53703.7210 85674.7976 53351.1786 84891.1939 79155.1024 75710.1012 72257.5340 74974.2659 54064.7349 49667.5367 120990.1802 176714.3559 77216.1837 184492.8176 87870.4629 91481.6730 67533.9467 72404.4529 67020.1776 100670.5255 94941.0273 53386.2453 90183.9320 114705.0585 90206.5202 70605.4547 55447.6960 49562.2709 52263.0495 52336.4366 41941.0937 97572.4951 100845.6692 167570.8231 65241.1528 61146.1714 49261.8837 46667.8560 60282.7211 76446.5596 83225.4644 76344.8749 96092.2624 81909.9913 58435.6989 85099.2380 65144.4908 51461.5182 52247.4997 47914.6864 36970.3803 69725.3931 PC(31:0)_feature2 PC 31:0 5491276.5590 6004847.5230 5289499.2630 4910699.8450 5834980.8840 6170285.4540 6708950.7550 7405747.8770 8047193.3640 5603761.9750 219.5436 222.0650 232.5084 274.5152 212.2672 216.0175 6471629.9040 6450057.6800 6032528.7880 6286270.2690 5859381.7600 6318955.7610 6541294.4720 6306155.3970 6302503.1620 6797753.1010 6411714.2760 7674150.0630 7431526.7080 6001579.7470 4884172.6890 5829120.0410 6871843.5550 5503944.8610 8074354.2670 7305487.1470 7091960.2370 7832802.2710 6126690.6340 5551031.2760 7714422.9890 6533363.0880 6291760.7230 4570926.0210 4981999.1050 6522921.7450 6745852.8490 6962593.0720 7707629.2390 5878198.7210 7564462.4900 5016470.0320 6392344.9710 4551713.1180 6917518.6670 6647064.9560 6443307.1400 6922020.4930 6512062.7990 4938693.1720 5145564.9120 4205966.8460 6003472.1250 6512072.8310 5755307.7660 5850163.7780 5767875.3660 4386396.0350 6738829.7690 PC(31:1)_feature2 PC 31:1 47302.9249 53498.4226 61062.7608 39521.8457 50741.5425 20353.9543 25676.8427 50610.5446 59228.1465 42591.3609 189.4727 187.1701 204.0378 210.9975 213.8290 214.9771 41704.9751 43531.4379 45883.8934 36405.9915 49153.5617 47538.7583 40645.1811 39116.6682 44566.7403 36631.1375 32663.8358 41695.8983 53768.6609 57383.5257 39036.1944 53385.7778 66608.2556 47884.0180 49712.5173 42765.5581 31426.8069 48878.2376 37005.7302 46529.5288 69956.9151 56489.4744 54235.9702 38193.4350 32166.4436 31835.7818 41328.4650 35364.4661 40122.1024 53896.3384 78076.9657 52462.8507 49037.3058 43685.1786 32993.5058 48546.3115 28624.9971 34199.4527 31279.9615 56940.8313 48073.3939 42277.7103 64087.0447 59713.1069 33140.8227 41539.2560 34680.0279 31474.6699 62561.6458 PC(32:0)_feature2 PC 32:0 126477359.2000 142661964.3000 133863144.6000 122067283.2000 135435573.3000 135974323.5000 159947417.3000 159191072.7000 171210623.2000 132544256.7000 3334.0002 4566.6184 9183.0488 4663.4544 4909.7174 7607.4890 143146713.5000 141673542.3000 143222959 136696234.5000 134141976.8000 137892784.9000 141014406.8000 142843392 143571055 130121272.1000 134825828.8000 144820324.2000 142535062.9000 139894978.2000 123507957.3000 130726018.5000 139733396.8000 131220633.5000 171224086.1000 162005811.7000 146342874.2000 180171119 147673667.6000 136000568.7000 163220888.2000 138130495 143212754.4000 117921837.3000 128925610.2000 163196166.8000 149892266.7000 146790602.8000 170950940.7000 131577328.3000 165344800.9000 109586234.6000 136996130 114647093.7000 158375623.1000 145640319.4000 146232833.4000 162721725.1000 159750793.8000 119859128.5000 124684704.3000 94930513.1000 132878610.8000 133335690.4000 128756684 126974614.3000 138159356.7000 112827015.2000 139688056.4000 PC(32:1)_feature1 PC 32:1 10853954.2100 13709423.3900 17629481.0600 14900555.1000 12892626.8200 9772032.7610 12486598.3100 10263430.7000 8619900.6120 9308997.0750 366.8981 354.1048 510.2664 332.2491 344.8658 1017.8288 10576124.3100 11434722.4400 13706156.4600 13008634.5400 12985140.8400 13084810.7500 13834150.6000 11207798.0100 10591538.2900 9579588.4240 5913259.0340 7991167.2630 10004506.4700 17234719.3500 13895816.1600 15450655.5500 11120656.5300 14166071.9500 8506196.4840 9128968.8240 10610237.2000 10527054.8000 12514231.5000 18596563.9300 13081764.0900 13157828.9800 16325791.2000 11633745.9800 6057499.6930 8899726.9130 7006611.8520 12152851.1800 7140997.8910 12596317.5800 12815529.4600 12946334.6000 12633185.7400 9519239.5330 11883873.3500 6940217.2960 11069272.7500 13207770.1300 10835053.2200 15179128.6200 8203895.6810 8142803.5590 8208860.2000 9452738.9860 6307709.1210 10505661.4400 8077891.2860 9476815.2840 9007943.4050 PC(32:2)_feature1 PC 32:2 624815.2577 721069.3231 828440.9529 962665.1413 708433.8966 336144.2321 448967.8886 577256.0316 708333.8610 369443.6837 486.0515 461.5390 483.1484 461.6258 467.0956 512.9130 629015.4468 628845.9285 617242.6039 605960.5724 629454.2775 667797.6582 600618.7566 660118.8808 598055.6202 565273.5649 559048.9090 452768.5546 472926.0823 655310.3728 418962.2552 466588.2657 674706.0186 520541.8976 736992.1596 510436.9921 528332.8146 862666.4520 570299.6741 718542.6347 897944.6544 464581.5581 774974.0403 389434.6735 345906.2054 469237.2945 506411.0525 672082.0038 721669.1275 687161.3514 987987.4016 567233.1424 733882.7641 517678.8156 622045.7110 860393.7636 481973.0357 612812.2870 524408.2643 606159.1458 681092.2468 393375.4274 1159281.7140 741481.5555 419932.3859 582904.8520 660464.8568 512327.7377 714903.9286 PC(32:2)_feature2 PC 32:2 433422.2856 446498.1260 585767.3294 348416.9629 438142.4865 225240.1711 344461.7414 395221.6511 421657.5441 172736.5790 626.2164 586.6211 561.4010 564.2506 567.4978 605.3274 388261.1368 371640.7581 368991.9096 390240.1320 251451.8369 362261.1828 370137.3350 374091.0144 396690.7278 412950.7848 410880.9968 320585.2728 398088.9943 373609.5045 312525.5109 532878.9389 386464.4636 266951.8097 439363.2631 242350.6207 262049.1196 469911.3576 325197.6164 413170.5820 414735.0355 787821.2173 606599.7008 232226.7940 178049.5618 222827.2411 301709.6203 306623.5134 451172.2952 356820.0688 612002.8235 299233.6535 437073.1326 298699.6624 341146.2827 51108.0608 365697.2557 367297.5074 309174.4620 275537.0597 351877.7082 206302.5647 42303.9197 395457.2082 266645.7973 327506.0126 68564.9872 41461.3384 337318.4472 PC(32:2)_feature3 PC 32:2 43194.7775 45195.9712 67218.8486 36280.2181 34969.1999 37945.3703 40554.8065 37357.9020 5518.3246 31143.6742 210.4257 182.8771 193.1401 203.1484 174.7218 184.9482 38270.9209 53205.0673 43332.1197 44656.0280 42452.5219 39340.2812 46443.6318 46334.6112 43915.0997 36805.9264 29518.3912 49769.9730 32483.3454 62559.7404 33130.7365 51679.6032 56434.9252 45486.2929 3753.8488 34891.5990 31955.1652 43075.4306 35631.4871 55468.7665 82853.8993 73382.1192 65106.4617 37266.8225 29608.4289 31862.8820 28343.6668 39816.4784 45360.6880 50768.2497 69138.6058 39620.8134 53836.9160 34891.2209 32304.2156 42669.7997 32739.9104 38864.7211 42520.5569 48453.6263 44720.2373 25374.7126 38128.9162 50902.8654 20463.4211 40570.8123 46115.6831 24481.7910 53079.3035 PC(32:3)_feature1 PC 32:3 44697.8507 50718.0345 78272.4563 32706.0038 55891.5554 31873.7454 47705.2022 54338.5368 60929.0770 31333.5369 438.0821 481.8527 467.2771 446.2224 490.7118 500.1633 49476.9236 50734.6412 49053.1424 53373.9718 50009.1368 48092.0056 48918.2813 50123.7130 51585.9893 50833.7236 49413.8813 48348.1563 51738.1259 57863.8974 25395.8826 89251.8503 74307.5144 43962.4274 66118.4595 45527.2810 43422.7517 73828.9006 44809.2377 67871.7550 92422.7163 80127.7499 99752.2459 46417.7386 34763.3615 55959.7592 40214.0279 49764.2959 66635.8575 57163.1944 79185.5562 26489.8583 42368.8754 24839.4432 37503.2258 37694.9321 40776.2954 43436.0765 40789.6726 41712.7809 46989.1316 16047.0887 40252.9827 38835.2032 33565.0695 37617.0524 30176.7507 22554.8324 41074.5969 PC(33:0)_feature3 PC 33:0 2239046.6610 2260296.6780 2043160.7480 2123036.6020 2284792.1760 2267969.1480 2521647.0870 2873467.0870 3097018.5420 2237503.7190 230.1123 363.8459 373.9531 237.5831 360.0815 395.0378 2505203.3560 2472627.7990 2593266.1980 2573796.7730 2551397.1830 2496796.9660 2531234.7350 2454377.1410 2567204.6720 2707445.6220 2869302.7720 2849314.7040 2991972.2110 2317578.2560 1905522.0530 2286335.2780 3061299.3550 2144973.1540 3088908.7190 2951253.0420 2903493.0270 3429382.3140 2648349.9790 2179675.4310 3101142.1530 2600041.3800 2844430.5200 1902876.8330 2025580.7590 2438279.0990 2891873.6750 2812327.6120 3086618.5920 2564759.5670 3138922.5760 2150503.5150 2613467.6500 1864183.2320 2868434.6060 2701411.4420 2571504.9250 2756674.3230 2524255.8790 1893453.4420 2109701.0230 1563679.1790 2576527.2670 2759337.2620 2373026.1590 2615642.2800 2322421.1340 2026695.6100 2777877.5540 PC(33:1)_feature1 PC 33:1 4822623.1540 5577388.5270 5214176.9320 5346652.8860 5088371.3750 2601611.0060 4237043.6140 4898800.6080 4982901.3000 3451883.5700 447.0431 354.3445 324.7492 415.0580 308.3867 324.1065 4339376.4190 4910451.7260 4636591.4440 4822101.7340 3278723.9550 4889352.2940 4828650.0570 4129451.5770 4821381.0980 3911278.1250 3993088.6380 4078880.5120 4140860.0480 5121503.8220 4406809.9800 5470636.2820 5566776.7730 5223761.3190 5142596.5340 4203101.9960 4676812.5900 4926958.2040 4411485.0010 3909295.2630 6575410.0080 5777625.3080 5384712.7060 4122978.8360 3446416.9110 3860521.4610 4216141.2180 5270031.6940 5127822.1040 4992137.2250 5951339.7770 4987916.3140 5627610.9410 3671642.0040 4374461.5700 4159628.6210 4187831.1600 4452553.3390 4093932.2590 4709181.3960 5080741.6790 3829031.1250 5493371.6980 4075990.2750 4165826.0030 4244948.3140 4599522.1680 3542558.1730 4573412.5500 PC(34:0)_feature3 PC 34:0 20272311.5800 22598184.9200 20290827.3600 20888403.1000 22637936.1300 18903657.8500 22262345.3300 26224636.7700 31076172.4500 19433283.8000 4330.6617 4226.2062 3193.6804 2618.8961 3529.3252 5065.2424 23583673.1000 22729798.2000 21786665.0900 23695170.4100 22371224.9000 22652708.8700 22396773.7400 23683564.3500 22857609.9600 21939433.5600 21174416.0100 21975992.9100 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28321.4829 22633.5666 29922.4560 26546.8352 19407.1409 20802.3143 18678.7700 40283.1758 34560.5237 26010.1220 31346.4297 22376.6055 27889.8960 16859.2747 14442.5934 19043.1184 25942.4201 24971.9103 20148.5295 22463.9406 27849.5341 25273.5678 19271.9920 16259.1470 26242.4408 19958.6563 21437.2325 22791.3495 15293.5248 23420.8540 21549.5041 19266.0247 24062.2426 22254.4895 24250.9308 24105.7244 20899.7842 16382.6620 25958.0213 PC(37:3)_feature1 PC 37:3 128124.7848 133912.4091 125942.3599 143820.5250 115369.1391 83630.8747 105318.2683 128232.8959 135554.4835 101386.3790 391.7352 1050.9272 1094.5469 440.6810 1236.8551 1367.0908 120232.4489 133316.3361 125856.0856 142307.8468 131427.2248 126573.7644 129057.7264 128904.0945 126252.0440 104840.1119 103666.9893 91740.5353 105599.6161 125333.1498 106859.0098 132724.2480 130394.0172 110954.6927 142655.9536 105815.6535 125358.1192 149234.9545 127760.9162 156294.3803 154315.0187 157915.1786 130140.9727 98071.4601 95169.2471 102245.5088 99438.1784 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174395.3775 158326.4476 146569.0075 241691.7387 139439.7711 187178.6217 195318.4810 PC(37:4)_feature2 PC 37:4 706815.7352 745997.6726 705559.7133 813095 731387.7271 584753.8079 1141296.7240 1396604.7870 1446778.4910 1038328.2400 233.7328 236.3360 308.1431 223.3216 220.5907 240.3430 994416.5911 952543.0729 927140.9743 921944.5942 953373.3524 940840.5527 985225.4687 974487.2556 940296.6512 1258778.6770 1136284.6360 1277858.8780 1189666.5310 675085.6809 575625.4255 694815.0613 833709.4558 718931.3910 1376456.0350 1069715.8400 1124959.8140 1323634.7320 1184537.2210 742906.6896 899676.8447 796958.2766 784051.4555 620221.5845 808153.9916 996894.2858 1200920.3890 1247743.9120 1357270.0860 771444.8040 1008893.5880 720969.0171 901610.8239 614810.4426 1124749.7170 1005394.6820 1160524.9830 1077663.7170 1052030.0030 587763.1665 635688.5085 564991.6873 924707.3265 813900.1581 949938.0935 966223.3389 1059716.6160 824748.4788 1042142.5380 PC(37:4)_feature3 PC 37:4 9736688.1410 10693550.6000 9299141.5470 11417193.9800 7366340.5390 10942221.9100 12489080.3900 15206688.0500 10898755.9800 10823773.3600 514.2518 435.7976 458.5377 479.2767 400.3415 499.2364 12870483.1300 12742759.2100 8848389.3340 8209284.9520 8181587.9700 8047967.7640 11745028.5400 11741971.0100 12092821.3400 9575743.1440 8753801 10097387.5400 14972819.7800 6810330.6120 8870386.2010 10423264.5800 12794921.4400 10331898.8200 16452657.9200 14516457.6900 8408712.7190 16837138.5300 12333781.2400 10749288.5600 15219095.5400 12500521.1800 12901162.2200 9478951.0900 6806240.9160 8168144.2280 14844033.9000 16037603.6000 16763837.1500 7455558.8320 9859715.6890 10694685.7900 8881773.5540 5836186.6160 9727306.7410 14097703.2600 13626520.3900 13689547.5800 9173681.4120 6509964.8130 6647257.6120 7741825.5250 12695986.4900 12365606.3000 12092646.3800 13402452.9600 14161455.3500 11593567.1700 9003099.3240 PC(37:4)_feature6 PC 37:4 402003.0083 594863.2521 494572.1734 509033.0951 566936.1050 456813.2617 455498.9897 694525.9163 734222.6103 521374.9482 607.7231 461.0153 475.9036 500.9823 447.8773 456.9542 601399.6084 630543.3601 473697.8437 598777.1647 567313.5968 582451.9398 570077.2865 610674.8720 572249.5718 542252.9902 546049.3326 540225.8440 524565.7724 476173.7668 450769.4669 441112.4490 455384.5571 442838.0630 693421.4242 594690.3729 538935.8297 647166.6568 592175.3100 484617.9280 585928.3889 405712.2651 507756.0550 294861.5207 457875.0419 429096.9906 599007.5919 646454.2540 647697.3996 604156.1921 618270.9068 560785.4309 646913.7593 501453.9290 563997.6841 645717.4333 716134.1850 640311.9031 653978.5396 475141.9914 498061.6583 383854.4516 658723.7795 686925.5027 483806.2717 559601.9630 598942.0583 458837.5424 637578.5305 PC(37:6)_feature1 PC 37:6 378012.4872 386153.6440 344320.7836 313602.1288 393330.7768 245767.6041 321667.3429 315667.1324 434930.1310 239082.4344 390.5314 371.0469 356.4294 368.9140 362.2346 383.7009 374547.9470 353954.5831 378191.2618 391904.9850 359837.3313 353883.0640 360934.2551 371749.8170 380679.5055 290252.3924 288273.4288 367163.1865 350767.1821 375235.5427 259831.3213 354515.7759 494743.5453 343341.3601 460322.8110 380590.8568 349162.7294 506884.5639 330420.5229 395961.4992 606101.9051 446761.6756 479556.7244 259169.9356 195227.0694 393698.9134 377237.5342 341211.5878 415370.6628 448539.5672 711918.2758 346163.3657 488783.1724 304341.2435 396441.0787 378189.9985 305969.8012 417322.0580 380091.4925 326668.1265 361772.1117 234184.5679 483428.9683 523439.5962 273971.7858 300777.0449 292096.3762 198690.2090 386803.3164 PC(37:6)_feature4 PC 37:6 1936699.3170 2008828.2970 2105865.6430 2326023.0240 2344035.6600 1385724.8280 1488624.0330 1572069.5240 1693946.2900 1529633.4860 394.0889 346.8994 453.3476 378.3680 347.6489 358.6033 1734718.6680 1936518.5150 1987835.7760 1860979.7050 1880049.0120 1829169.4410 1891796.0200 1891351.6750 1834678.9870 1146488.6330 1145633.6860 1357184.3110 1234622.1570 2111460.2130 1792433.1780 1919939.7950 2372613.2070 2076209.4850 1783471.8620 1642129.0510 1747571.9270 1833243.5960 1750786.9180 2505659.9740 1493741.2270 2699198.4180 2415017.5590 1667994.7770 1493172.1800 1657065.7920 1651181.1440 1771995.8590 1981241.4630 2479613.1780 2523404.6000 1687204.8590 2343522.0150 1637146.1730 1651043.7810 1819470.8470 1643876.7760 1943216.3840 1741622.4800 1985645.8680 2467153.6150 1712730.8650 2216781.7470 2647148.3750 1302510.5880 1555036.3370 1520928.9670 1416103.7260 1707018.0980 PC(37:6)_feature5 PC 37:6 162249.1263 268997.6141 356155.4434 332154.8724 354376.6916 262257.8244 232034.4427 173985.6659 183867.0161 273328.8201 216.2558 155.3747 153.9801 315.6548 236.2559 241.5979 163120.1769 212572.0976 218576.6749 153437.8638 157554.0212 141749.4164 164301.5644 220651.6184 205493.7129 197296.2331 155706.1119 226440.7705 360090.8922 275174.8737 239521.6740 283913.6272 462836.1000 191134.9013 297505.7678 159089.3127 159303.7154 209818.5347 184137.4703 253995.4317 239435.8489 174535.7742 280321.8407 239400.3085 150804.6579 179193.0065 196747.3909 230902.7482 127125.5578 200480.8626 322814.6355 204020.7548 110433.6897 182508.3570 143263.0424 286338.2651 201919.1848 254239.5777 198363.3602 223827.9543 387197.1399 190465.7375 362686.5849 465470.0790 147220.2408 171645.1265 189971.5681 205142.9179 263167.9659 PC(38:0)_feature1 PC 38:0 84432.7958 76581.1742 95286.3499 112900.3290 114807.0395 45312.0219 77770.4206 87138.5966 129150.9553 79727.8035 155.1409 363.1876 339.4206 157.6415 327.2153 393.6126 87869.3784 111443.6143 97441.0250 82811.6787 63691.9872 75248.4845 88504.8844 89623.8565 114433.7304 97758.3847 64006.2092 74570.5830 63322.7747 93435.1124 68916.7301 98597.9098 76363.3681 84652.1867 98543.2324 88219.7801 107239.4900 121794.4157 105428.1010 121635.5741 120834.9243 89039.4327 107070.5131 77383.2872 72581.2473 87261.0421 74821.6410 123799.1433 95572.6071 96230.7250 155318.3986 81415.9986 95512.4057 84472.2857 107320.0072 106252.7590 75336.1184 90679.7232 74670.6265 70793.0857 101726.6436 65801.3203 94614.2239 90171.1448 73731.4834 93755.6828 98976.4702 77530.5123 88973.0433 PC(38:2)_feature3 PC 38:2 2034636.7520 2523987.0250 2215277.9910 2922852.4830 2227271.8100 1508126.9740 2020666.0620 2510098.3420 2375652.3720 1948887.7080 880.4200 515.6132 496.2257 736.5337 516.1887 543.5857 2571125.3120 2465566.3520 2439269.4130 2524482.5750 2650889.9030 2318468.0490 2576617.9940 2436286.7800 2570745.7700 2228013.7210 2177789.1500 1768415.5420 1738228.1310 2292218.7680 2232758.0890 2634386.2200 2395685.7360 2546593.6620 2833402.8410 2201098.9740 2810767.3540 3051454.2010 2580579.9410 2832294.5220 2847987.0290 2135024.1230 2742138.2690 1920059.5760 1644631.0110 2085360.3310 2889048.8080 3214119.3410 2800501.0220 2847445.6450 2911092.1850 2794699.2320 2947281.3250 2248914.8140 2207704.1010 2679404.1280 2521458.6690 2182818.6130 2139157.8210 2453369.1730 2970012.4310 2226962.8240 3785411.1410 3136749.3060 2042257.4430 2977464.0110 2495126.3720 2549498.3480 2314066.7480 PC(38:2)_feature7 PC 38:2 60288.2691 42099.4886 42195.7567 48469.9543 38485.7245 70422.5210 65168.8782 54668.0252 73200.9568 54853.4190 135.0657 365.6004 280.1020 155.2706 328.2387 337.9668 47763.5937 41637.5515 45141.6390 43057.2093 34316.3455 40882.0469 56747.7260 41566.8769 41840.4232 49886.5789 52010.7925 38697.1950 54786.5817 45943.3124 44956.8790 40254.0723 50860.3432 28840.5167 68834.2809 52163.8353 41383.8756 60533.8282 60067.3141 33414.2752 59726.6043 43480.2475 43502.0438 39333.4862 34080.0663 76518.4294 55521.9435 59502.0528 61787.9983 23826.1770 53342.7183 26638.1440 49505.4480 34103.8714 47728.8936 49886.3331 53978.1304 54326.7627 42414.4990 45042.4086 39814.2069 30147.3557 44879.9011 43745.1570 37069.3950 53562.6661 47475.1104 33458.5861 47768.9055 PC(38:3)_feature3 PC 38:3 15529221.2100 14463940.1400 12693472.1900 18835156.2600 12650622.8400 9852485.5020 11681555.9800 16843475.2100 14447606.5700 12160329.3100 801.2556 1022.4120 1008.0723 816.8914 1082.6120 1149.9194 14184439.2800 14398468.4500 15495449.5900 15118568.2200 14739514.4600 14935447.5100 15191513.5200 14383163.3600 14321040.7700 13448805.3600 13673972.6900 11676335.8800 12431138.2100 12919418.9100 9408692.2650 12280013.3000 12894778.2600 9317001.4300 16128637.7500 12712905.1100 13168017.8600 19403378.3000 14022940.0600 11717846.2400 17393743.8700 12234285.2000 12677852.8300 9944158.6030 8963053.2080 11733113.3000 11620978.9700 14907517.7400 17780741.5300 15173034.3700 22137126.5500 14349917.3300 18262553.1000 13276079.8500 14206198.6000 16336687.5500 11262330.9200 12621858.4900 14733494.4200 17530379.9400 13379842.3500 13030118.8700 19204770.0300 9523779.7380 11607393.3800 21366064.9200 15587187.0300 14848367.8900 20884464.7500 PC(38:3)_feature4 PC 38:3 586718.9226 520952.3645 552893.2754 598507.9600 505537.8041 380965.7960 311184.5803 586841.2379 567120.5795 405495.7987 239.9666 230.6254 234.1828 248.9621 234.1582 239.1140 538349.7471 525018.8842 533704.0296 547795.6549 496595.6302 571482.4156 522262.9092 551206.4473 517812.9008 263981.5320 391875.9350 413253.2633 431073.1822 529428.4958 357353.1324 538936.1247 549133.0087 426168.1750 559083.5082 481027.5252 506573.9960 674173.5943 533070.8139 587992.0201 722365.4975 517036.2555 545441.6402 395186.1931 370310.2490 490380.4544 475262.0220 535835.2011 640539.3315 525542.7116 888474.0945 522464.8118 586187.3846 488995.9305 521915.8984 501435.8643 441904.7875 579131.4933 534884.3746 557998.2391 606403.7661 376231.6096 730940.2000 646754.2318 448575.0288 698323.9806 610566.6644 486691.2736 711912.3652 PC(38:4)_feature4 PC 38:4 218771465.5000 220822874.1000 207337781.7000 206710124.7000 218762762.5000 232431648.8000 254117326.3000 284624847.7000 286831999.9000 224268269.4000 1506.9757 801.7025 753.9748 2800.8277 778.6011 1516.2480 254435383.7000 236722611.3000 237120501.9000 243642724.7000 254643959.1000 243469735.4000 236969997.1000 259294141.7000 237365201.5000 256443304.9000 261202511.9000 295360777.4000 281578044.9000 195631935.2000 179237226.4000 210498214.2000 228731087.4000 181906052.9000 295022247.2000 256868622.9000 261548140.5000 336111757.6000 265088755.6000 205736093.5000 279197546.7000 214116245.5000 227377539 188715457.3000 215758491.4000 271153831.6000 269947974.1000 265571220.8000 308719733.3000 213416493.8000 277825290.2000 208051451.8000 235367462.7000 191221915.7000 276530974.7000 230931405.1000 278454447.5000 270324089.2000 278512579.4000 199474700.5000 211823333.4000 151067097.6000 237650959.9000 222055715.5000 214555290 240147320.4000 240746018.1000 214416420.4000 262072120.7000 PC(38:5)_feature3 PC 38:5 65873660.4400 71050025.5300 65569497.8700 64212435.2900 65433515.5500 59394738.9400 66846674.6300 72676164.7800 76288758.8000 62321749.5000 752.6269 747.8529 732.8649 843.0178 735.3480 762.2534 67995515.4400 65781934.3800 63646239.5600 70432763.8600 66980816.0100 68885496.3400 66801858.2800 64198159.5600 67675472.8100 59708910.2600 60898810.4000 57487178.9000 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263052.2313 292120.6052 225197.3186 238928.8781 216150.7547 250925.5967 312342.4491 222525.8332 380089.7150 346730.6450 235725.4434 336547.0475 241630.5979 285754.0296 302779.6818 PC(40:2)_feature2 PC 40:2 255335.1419 129418.9012 157807.1073 218647.9217 112413.0493 94597.9992 126481.1949 286413.9341 175041.4594 175913.1842 336.0633 635.4323 787.4500 265.9202 579.5989 673.0455 133247.1110 164980.9941 98912.7203 161199.2491 147222.9154 160474.5943 164732.0969 98485.7775 147877.0365 248511.8696 110255.6000 122630.8074 183115.5975 104546.9143 132196.6477 123622.3786 178204.8782 190124.1839 149020.4926 235645.0388 158393.5772 185019.5272 268348.3933 196498.1679 207787.6338 184417.0423 175508.2956 125288.3832 186858.8985 95939.1708 126376.7153 195230.0302 174648.9394 158226.7871 217314.8061 188870.7743 173949.0512 195468.7639 159764.2198 199978.2745 135638.1356 152382.4060 131900.2404 140209.8903 190018.2681 128755.1758 353240.2841 203043.9046 169078.4338 188835.2602 198339.6134 138259.9059 190057.0952 PC(40:4)_feature1 PC 40:4 384218.7389 399718.3172 432479.5568 634065.5433 396069.1180 427948.6910 393419.9529 571346.2338 574659.5023 396445.9136 243.5696 276.1002 283.3995 262.5232 305.9401 322.7939 478991.7195 466655.7274 482696.1606 432929.5614 424244.3575 446260.6699 456667.8272 455129.1307 504240.5976 359680.5210 374492.8946 312633.2625 328007.8997 368811.1289 350814.2767 402560.1243 465203.3614 284689.2984 475774.1825 388919.6515 530386.5997 644356.9899 466498.8632 374383.9348 574837.2664 417726.6019 502642.3984 258406.5121 328414.2932 369614.1308 372540.6211 470783.6462 571735.6906 461322.0244 575523.0084 456751.8846 455776.8354 372995.3933 448249.9853 395885.6324 388932.6876 400582.5217 340638.3101 372997.2962 485198.6088 288446.4902 663066.8791 528902.2146 305269.9900 559332.2525 510474.7314 454815.1315 504289.0288 PC(40:4)_feature2 PC 40:4 2081398.1260 2183132.0930 1969289.7370 2213128.8190 2347114.8890 1599805.3370 2171444.9620 2690895.0830 3086131.3220 1798632.4460 346.8717 280.5506 284.7413 349.7413 275.2046 364.8859 2194866.6330 2243595.4570 2299416.4210 2293426.9520 2238333.9680 2259821.7680 2196915.7690 2269041.9840 2242013.8790 1718868.0110 1796386.4210 1727650.5770 1709180.2690 2181250.9040 1513844.7520 2146564.5710 2506902.1970 1958578.5790 2686315.0190 2240714.7530 2557588.7160 3068140.3610 2397630.2000 2567964.2570 3426770.1130 2584425.0820 3129695.0440 1742485.9800 1997079.6590 2275933.0070 2250554.7070 2630732.9920 3117876.7460 2532909.6620 3361349.8440 1788441.1680 2403486.5990 1778878.3750 2317285.3460 1709793.3930 2140423.4010 2195111.9110 1996086.3500 1576976.9780 2419947.4570 1269886.9720 2630273.2560 2300303.2830 1761885.5990 2211356.7530 2333820.6460 1960789.9130 2096248.3730 PC(40:4)_feature3 PC 40:4 1478835.2210 1876336.7820 1550851.5810 2156577.6630 1462495.4620 1030851.0760 1301198.3980 1859002.4390 2231007.4860 1239698.9800 463.8116 974.8814 869.6884 457.0749 901.8418 893.8678 1680388.9770 1702353.9570 1827250.8050 1694137.4370 1818230.5960 1778616.0300 1653085.4020 1700032.4770 1751523.4010 1385177.3050 1354576.9030 1102919.9440 1070170.6480 1751546.4980 1123151.4440 1789115.1550 2163072.5910 1711413.9980 1934208.0110 1272230.3230 1745649.1700 2232006.9250 1609824.3150 2037645.3300 2338296.8030 1769724.9450 1965918.8210 1444362.2990 1120572.9420 1182552.0630 1513993.1130 2186361.4740 1921586.5420 1690953.1690 2384571.2240 1856080.2210 1820425.9980 1459062.6540 1576667.2270 1725716.4470 1428553.0500 1563020.7190 1317840.5120 1430041.0570 1963340.7780 1098440.4400 2468656.5920 2140332.9630 1416687.4750 2085588.9080 1941027.4800 1494586.5710 1750105.5820 PC(40:5)_feature1 PC 40:5 157808.1511 141114.9478 118113.1168 275632.5324 142110.9283 63393.1477 89522.6859 112820.0784 142515.3490 100570.4576 672.6383 715.7909 765.7093 662.8260 717.2999 771.8760 173320.4712 120094.1196 128835.4588 109764.5236 157641.2374 127683.4170 151449.3484 118980.6780 155846.9230 98218.5066 91600.4983 75923.6866 72463.0995 118490.1669 91796.1671 158174.7142 118922.2578 109478.1253 123808.9651 112251.8435 118296.6077 127922.5288 107479.0480 148282.9052 230038.8026 132633.3578 154502.8857 102541.1783 70419.0712 84095.7365 84389.9855 121701.6959 136113.3276 151236.5761 211544.5596 134731.0459 186788.3954 123126.8508 116498.4545 159603.1005 115653.6854 91430.8958 102149.6749 193076.4775 188884.2110 144840.7239 248006.1786 205656.4914 103015.0328 166177.7264 130095.1101 170853.7539 139717.0030 PC(40:5)_feature2 PC 40:5 141381.0040 126802.3105 69682.3815 172285.5687 130729.4414 65948.2649 91094.0336 115200.7306 178768.4063 137227.7410 299.2421 512.0005 476.0201 278.0078 424.7906 501.3808 140573.4151 89937.8803 136842.6716 157227.5792 149202.7168 89918.2977 154407.0578 127607.1198 118366.1797 79778.4071 127520.2459 108332.1185 56356.7855 70376.2503 148833.1531 87613.6082 144045.0540 124179.1689 146151.9891 86154.1488 152263.7650 112124.2015 96389.5250 201429.9165 180922.5681 240908.5904 281742.7832 75611.9251 110211.9457 193308.4384 187754.9853 163195.0458 161622.2427 153711.1575 261035.4717 75361.4487 134388.0745 93199.1168 82194.9745 147371.8654 137212.8859 120616.0119 146469.5996 188385.0119 159383.5380 103721.8469 175120.9007 85372.6004 186801.4962 91624.7537 144699.7202 199810.0498 149563.5609 PC(40:5)_feature3 PC 40:5 6960769.2380 6213039.5070 6498102.3680 9419346.9500 6052357.4600 5052902.0970 6110303.2300 7780716.5510 6583405.1880 5259011.6720 575.8666 480.8963 488.0827 526.2578 464.6325 510.6079 6581343.7630 6983712.6320 6968358.3170 7109855.0800 6355639.7430 7866607.3500 7757765.1130 6270989.9140 6425078.0740 5931692.2520 6569585.4720 5137168.2230 6758535.2590 5380807.2010 6747548.2290 6835299.5100 6039159.4550 6208847.6420 7874796.8920 5761739.4910 7441069.6620 7399120.4060 7836370.2630 7200792.6150 7047178.8650 7268327.3250 8878969.6440 5832048.6690 5484728.4080 5231264.6390 6603619.9410 7145519.9430 7222584.0340 9078416.5460 7608041.9540 6625027.3940 7877741.4270 6059915.7030 6240104.2860 6572975.9690 6695392.6720 6332563.3970 5984252.0010 6323865.7050 7440165.9310 6265769.9330 8872489.8700 11305161.9100 7409106.4810 7152992.7200 6436053.0720 6332916.9720 6500328.9640 PC(40:5)_feature4 PC 40:5 1158026.1250 1050199.1160 1045237.3680 1017906.9270 1010517.9900 726471.3359 799980.0960 967888.6074 1094039.4140 760725.5738 365.1058 589.4675 607.4135 484.4575 737.0071 811.6169 953962.7276 968348.4541 1089630.6790 1130880.2690 1051386.8180 1077266.1060 817511.3966 819723.0662 1223395.2120 491427.6937 643803.6464 586528.7813 741920.7219 1147777.1810 760897.1493 1186934.7080 1968159.0830 1075749.6440 1046135.0280 903162.1465 1039311.1100 1444904.1350 1141125.9360 1261151.2840 2145275.6810 1395795.2320 1486757.9540 1093761.3180 642875.6821 1267947.2170 1021587.7480 1008749 1183720.3250 1297799.2820 1844040.2850 918831.4762 1063037.6570 784301.0054 826894.3184 663349.0657 562436.8562 910196.1969 904017.6523 853785.9760 1122846.7370 720254.3724 1510650.4700 1316146.4580 779044.9404 1117869.6640 700951.0170 780478.5364 1151909.7570 PC(40:6)_feature3 PC 40:6 22713277.9400 26201642.0500 25022786.1500 24746092.9600 27970352.2200 17596402.2200 19414878.4200 20439676.0800 25326233.4800 18185237.3700 833.0167 2513.9517 2445.7192 864.7633 2603.7885 2671.2003 22188891.0800 23498183.2400 22048709.7800 22603179.8300 23076691.5200 22402599.0900 22676646.6700 22845307.0800 22452814.8500 16502233.6600 16168679.9000 18587350.7000 17900270.6900 22839493.2100 20455177.5700 20980858.3800 26770271.4100 20423256.6800 22872832.7800 21707633.0600 22292523.1200 25639757.0600 22485385.2000 24627334.5900 29473141.0800 24348531.3700 24913543.2200 20165377.0400 15942024.0300 25650226.2700 22265206.8800 21386411.2900 23366532.9400 26802564.7600 35047505.6600 21309095.4800 28826191.3100 23928195.5600 24505393.3800 22100793 20532888.7900 25029294.2900 23897859.3300 22675317.0600 23962226.8500 17775646.1500 28359612.4000 26633627.0200 17691543.2500 17789738.2600 20381308.2100 15343002.7700 19503798.1700 PC(40:7)_feature1 PC 40:7 256345.6869 264942.4601 308065.5561 324243.4687 280562.8277 170777.1845 238989.0289 268165.3121 312896.9170 211876.9930 380.0750 359.4184 355.0581 356.9123 362.0277 362.1296 295635.6309 244451.9378 257788.5292 271943.4587 252324.7171 265141.3544 245241.1904 266294.0012 287046.2358 215827.4856 150658.0525 189728.0310 169587.8031 248930.5651 179370.2404 214254.3722 248271.9310 202536.5572 317250.4112 241210.2462 275580.3150 375161.5986 250496.5750 270888.5889 298569.2854 228128.5054 242554.8353 138752.0598 141430.0582 204172.1969 221033.6246 291661.8314 197855.5857 340206.5052 430978.7724 174644.9314 377238.5030 249841.2753 326958.4630 342145.1291 249623.9266 324629.7207 221332.3383 286016.3692 206842.7880 191433.8227 357057.9660 320566.9727 202965.3822 237334.7387 282191.2549 207398.2739 311409.6554 PC(40:7)_feature2 PC 40:7 1829766.4240 1689948.9030 1658307.6250 2186953.8430 1591150.9200 636758.2862 1009800.6810 1242205.4650 1860255.7990 779199.1830 407.2101 481.8018 502.5755 418.6989 517.6234 520.1771 1626768.7990 1639573.1250 1617291.5790 1628055.5840 1499698.9160 1626841.3350 1534903.3280 1512999.4260 1776266.7030 1108195.7360 1099589.2090 1040911.7840 1305101.1420 1501207.2720 1054138.9240 1629536.9380 1755699.5400 997721.6236 1804010.8600 1117970.4230 1077281.6270 1830889.1210 1257963.4000 1571075.4250 2926790.1970 1759861.4780 1614197.7510 1103796.8510 574896.5234 1127057.9770 1267143.0830 1430866.0430 1325662.2160 1709719.5770 3177092.6400 1490138.7090 2223992.5220 1526112.4640 1555773.2920 1468466.2150 1154602.4440 1488368.6040 1507473.4810 1471656.2540 1623180.3200 1217430.0120 2475210.3750 2114024.2240 859641.0657 1612398.9850 1595023.7550 1206157.6230 1943793.5520 PC(40:7)_feature3 PC 40:7 3172435.9110 3600392.0280 3406592.0830 3202862.3970 3636820.5350 1891358.0210 2417836.4000 2623492.1980 2832542.5200 2249466.8910 305.5020 327.8043 327.5829 310.9603 297.8943 320.8697 2927622.8290 2923035.5090 3116609.0060 2942570.3550 3006802.9910 2844670.5690 3145512.3700 3027607.1890 2853835.1930 1774956.8920 1845299.8370 1800408.8560 1677174.6610 3510817.6060 2751446.5100 2970316.8670 3956678.1390 3380246.8580 2930530.9080 2410884.8470 3042680.8910 3327991.0650 2663655.4500 3893364.4260 3674432.3220 4086557.9540 3951665.8250 3027553.7340 1958142.0840 2844116.9380 2910729.6610 2953477.5330 3099482.3320 4312380.6940 3845948.4070 3630348.0950 3815100.8580 3150616.7240 2658106.1620 2556192.7020 2369606.3260 2897737.9590 2540448.4840 3217846.4810 3720254.3030 2520971.9830 3709995.0750 3720031.0120 2438429.3550 2242304.6330 2427649.6800 1893159.2140 2177687.8700 PC(40:8)_feature1 PC 40:8 8333682.8860 8795573.2100 8494505.6880 8204532.6630 9648194.5130 6922919.5130 9321846.0730 9110843.9070 14873860.3200 6141489.9210 854.8981 869.7304 883.3447 817.1301 1358.3465 1211.3676 9439821.2340 9509700.5120 8947789.0910 9800219.0590 9291599.7590 9112692.5700 9216200.5940 9534089.1470 9489263.2750 9174909.2120 8965247.0170 10893738.9600 11208647.4500 7426598.8640 5601466.0550 7352880.7820 9505101.8670 6008697.4190 13663066.8600 9605496.9800 10302111.4000 15781064.0300 10258187.4100 8091847.6410 12450504.1500 8321759.2930 9984624.1180 6678873.8960 5437880.1210 11198351.5000 13954226.0900 10687529.6700 13231782.8300 8931045.3920 15810485.7000 8162235.8560 11456222.1000 6909094.3730 12817748.5700 9523190.3280 8592327.7170 11355201.8900 11077301.2300 5906013.1560 7558041.0930 4323451.8700 9669870.9880 9215027.2060 7213103.7370 6891050.2010 7981895.3340 6123791.7440 9005662.3510 PC(41:3)_feature1 PC 41:3 1533920.8340 1503711.9920 1250979.3130 1427072.1430 1646959.9670 760024.3538 1002832.4160 1239157.6160 1824350.1040 835142.5963 346.6393 357.3850 343.9329 346.0844 331.7538 353.7023 1326728.5960 1314757.8770 1357864.0400 1291718.7170 1335490.7500 1296701.2230 1330412.3920 1326123.1710 1331765.1070 926093.0444 903472.9046 1111906.3960 1102270.7440 1182881.9820 859709.1717 1059430.8550 1716797.4900 981778.4943 1631011.7620 1085752.2300 1295680.3880 1904555.7440 1241535.0120 1326737.1270 2263600.6870 1418036.7680 1697841.8670 1115207.1880 634764.4460 1291900.6470 1389901.6650 1174793.7370 1446473.0210 1510753.1520 3173975.8920 1415634.3380 2108134.7050 1166281.3470 1604141.0920 1559119.8360 1116177.1320 1399245.2640 1467194.3630 987082.6276 1369384.0570 856452.2364 1704351.9780 1595668.6720 718854.5583 848382.3768 961145.9711 741444.3967 1113993.5810 PC(41:6)_feature3 PC 41:6 45093.1614 56465.8254 52110.3331 62368.2436 50285.9808 28925.1203 35690.9405 49153.0624 52521.8223 26334.0014 234.2350 251.1214 239.2458 244.0302 254.3220 262.7422 55923.5654 48744.5725 59643.3211 52982.8157 61330.2507 53774.9362 44550.7108 56935.7513 57669.6741 39347.7246 40273.2336 42593.1063 43229.0768 49305.0386 44217.1510 59383.5376 76589.2080 41574.2098 57348.1317 28600.0299 47570.2544 66199.2202 43438.3104 61983.9679 76430.5015 63284.5408 59810.0415 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6879562.9300 7344685.8240 10236419.1900 8619308.6460 8978571.6380 11042781.7500 9810910.1750 10058580.6700 9206076.6940 10587799.1300 11195036.0100 9715578.0270 10444470.0700 11777991.1400 11888054.7900 10219737.5000 7789216.0300 8525395.1170 10427012.5100 10142968.2700 10284882 10662099.0100 10908746.3800 11938989.0500 8977741.6500 11314132.1500 7965436.8990 10521118.9800 9069016.5400 8514275.2610 10832004.9900 10534555.3400 9366574.2050 9666967.8440 7520237.3230 10148672.6300 10177417.8400 7309267.9980 6919637.9740 8401374.8520 7072305.9900 7645744.0780 PE(O-40:5)>PE(O-18:1/22:4)_feature3 PE O-18:1/22:4 754697.7392 914387.8117 693140.4579 871671.6677 864626.5191 673055.5760 820182.4855 1007634.7700 1227328.2010 675544.0460 396.2123 686.7471 616.3729 392.3346 641.2786 660.4022 949217.4162 866554.2941 925377.8585 963074.0565 922512.7757 881901.2237 935781.1581 888045.0612 945244.7396 793482.8626 729883.5624 818555.2618 767254.5045 924842.4964 653986.6904 889306.1055 965501.9846 837491.9652 1074194.9290 850317.8598 963021.5083 1202582.7050 940519.2816 998841.2335 1333716.6220 1078601.9850 1196170.3620 688318.7026 818752.7224 861508.9477 890528.3493 1066397.9760 1100753.3150 931326.0128 1209195.7240 785595.6279 927270.6688 757195.3151 896382.6050 726111.8094 791831.7006 859159.5292 810113.3325 633458.0945 830629.6483 545448.1210 1002838.1740 932558.9812 733231.8906 894823.9164 896679.0011 774119.0084 859808.2918 PE(O-40:5)>PE(O-18:1/22:4)_feature4 PE O-18:1/22:4 535119.0751 653753.9779 557705.7719 651988.8374 510116.4077 412176.6243 518712.3540 663395.5829 622028.6226 515594.0192 360.4772 575.1737 600.2448 385.9804 607.8734 630.8008 556396.1626 586674.7692 544807.3875 593158.7291 556209.9894 580614.7619 569416.2742 556390.2813 569577.0181 581692.6290 633927.0429 460705.2076 532066.1821 583380.3263 523357.0783 600369.0407 584657.3998 527409.3576 576968.0126 493282.1566 560633.3803 721185.5916 592182.6227 609544.8666 780635.1084 544560.8576 598689.8829 456950.2623 437557.9439 446709.4297 493974.0201 623337.1759 654274.8116 555915.0684 760174.6206 572762.1877 639289.9564 497333.3620 535529.1792 486821.0680 558154.4544 487800.5340 438347.9984 461532.9314 652546.0701 454620.4940 756238.8748 654399.6129 441297.6100 558254.7590 562699.0201 520310.9166 544504.2633 PE(O-40:6)>PE(O-18:1/22:5)_feature4 PE O-18:1/22:5 394763.7028 584100.1415 486668.7912 494768.4620 558468.0891 445728.8504 442729.4280 680183.3934 721154.6707 512815.9368 373.9464 279.0032 272.5146 306.6954 256.5615 266.9428 591541.5313 621265.3545 460139.3352 587405.6918 555751.7410 570960.3054 558095.3114 597739.1016 564449.4176 532727.5081 537069.8367 531057.4168 514517.8743 466109.7333 442392.2468 429320.7686 443135.6437 433483.0196 681079.5826 583209.3213 529847.7385 633918.5649 579365.3206 475056.8760 571531.0100 393897.7452 499155.3207 285613.3103 449756.6549 420404.4720 589222.8211 633058.1489 631108.4234 594060.9035 605537.4829 548451.5543 640023.4637 491606.0059 554119.7779 635399.3045 705277.3939 628326.3004 645743.8456 465956.3444 490357.6679 376499.0983 645607.3287 672226.9477 474632.1463 548352.4889 585295.7343 449547.9116 625535.2670 PE(O-40:6)>PE(O-18:1/22:5)_feature5 PE O-18:1/22:5 59854.6108 60597.1309 52742.9865 64897.6372 60893.5544 44427.6460 52402.8194 62288.2922 54782.3839 40704.9903 415.5843 461.2312 492.5760 430.8743 495.3944 518.4537 66718.0003 65272.5341 65553.1410 64634.7211 63428.9277 65284.1475 63901.4670 62948.8776 69426.5553 32529.9486 36286.4548 38264.7518 40693.4676 73480.0517 47546.1514 79045.8620 97813.9058 72350.9316 75798.4816 60573.4452 66795.4181 86271.0589 63754.8692 92027.4081 139197.8369 112981.3917 111367.5278 59970.1823 53790.4790 65236.8938 62386.3409 76441.4596 86355.9936 75273.4138 112259.4210 38237.4888 70891.1804 46192.7964 52495.9593 50194.6407 46922.3472 54095.7912 49843.7067 52319.3546 69851.7915 38432.6338 93836.5725 82976.0789 52128.4574 70709.1010 67044.8310 50704.2245 71168.3876 PE(O-40:6)>PE(O-18:2/22:4)_feature2 PE O-18:2/22:4 259944.9276 259775.9141 226595.8675 190069.1446 225096.3237 219197.0714 271484.8705 353806.2078 368725.9518 161242.8512 475.4772 500.8843 499.3641 529.3157 591.5552 591.5331 271959.2470 261396.7988 277076.6223 282557.7556 259682.8298 273573.2833 304656.8634 219653.7649 287997.8583 247516.5755 245061.1318 162746.8929 269327.2098 228862.5638 141687.8837 200610.1433 316739.8092 230893.7796 337698.5218 185410.2919 343456.4306 447373.7053 354427.9722 285939.6966 355163.0599 278162.0338 327701.9905 185858.1395 223502.2813 189735.8871 338859.2674 315124.8729 368280.4232 299385.0495 375636.9840 223583.1806 273342.4963 168680.6428 283793.3468 228725.0029 176910.8805 264251.4377 267370.7455 163261.0906 251041.2665 141053.6852 321755.4106 278955.1207 243877.7290 207783.4424 303860.7257 255425.5659 287706.4434 PE(O-40:7)>PE(O-18:1/22:6)_feature6 PE O-18:1/22:6 381046.0470 404546.8670 342294.8154 427360.7118 349418.8998 240325.6846 306644.7166 406003.4988 415932.3343 272249.2731 826.5578 982.5542 1061.9356 695.1469 982.9209 1040.0665 378679.7904 380274.4824 384878.1781 384282.6480 400816.3453 381055.9189 373167.0055 374828.6254 389596.6699 321483.0279 337449.0620 287626.4744 300590.2271 391869.3453 309704.9142 404888.4555 499035.0128 386197.8494 395952.7373 324277.3314 363018.9463 445911.1737 350284.7498 412067.9866 542512.8556 439900.7501 464177.8400 330128.5555 221220.2354 285467.4553 338647.0716 412228.5655 414492.3708 436784.6001 541380.5339 413587.9929 429949.4238 343513.8790 366250.5048 379217.8688 307550.3091 314261.0231 307440.0755 331856.6509 404449.7632 280926.1448 508352.9967 522478.2064 318381.1707 402446.3223 394173.2162 316155.7222 384092.4004 PE(O-40:7)>PE(O-18:1/22:6)_feature7 PE O-18:1/22:6 1299703.5070 1421501.7900 1194916.3720 1334808.9270 1369012.9400 851681.8499 1294716.4880 1364908.9510 1673650.9680 1022966.6380 438.3603 461.1298 459.0772 433.7642 483.9192 483.0507 1436924.0450 1364032.2200 1403551.2280 1338559.9320 1311634.3770 1477984.7180 1423364.3350 1347529.3360 1397120.0080 896579.5710 886948.3449 857689.6945 994498.3239 1432857.4620 986706.6512 1247880.8040 1672439.7110 1220921.2050 1557509.6570 1251974.9570 1523470.0060 1867759.6360 1382387.8680 1619050.4370 2075766.0240 1594259.0500 1708542.4390 1025064.0680 933989.5632 1341669.9070 1410856.2520 1336860.5930 1642279.1480 1552431.9490 2429890.5800 1254207.5670 1788419.3440 1248074.3050 1356268.5540 1265818.3850 1200104.0440 1433981.8210 1394740.2110 1108164.9820 1432884.5350 846420.7277 1750636.6450 1643275.9750 1130067.2160 1200591.5670 1201901.9250 883548.7234 1440373.1080 PE(O-40:7)>PE(O-18:2/22:5)_feature8 PE O-18:2/22:5 190568.6456 241885.5939 235395.0647 219037.7273 202219.3022 195770.1192 156117.5137 264948.2350 219374.0706 190510.3025 418.4560 532.6608 512.6529 379.3789 509.2159 512.5985 184204.7766 231446.1041 200983.4793 241111.4823 132687.6159 209478.0295 206120.3523 219879.4676 201273.8783 231216.1849 251132.8962 232025.4615 183379.8509 145683.5594 195545.2201 145993.1657 161334.0539 205232.9580 207267.7938 165665.6129 199208.1246 203689.2414 193041.9559 226351.7740 194484.6578 176033.8923 179305.6024 169256.0988 167548.7000 172245.7515 179594.5594 272583.8727 251546.5130 211715.3724 236742.7107 171613.0928 248534.4305 195417.4844 288086.6029 212831.4129 171809.0434 161067.6102 172198.4085 175902.1721 191239.7794 187321.7453 150766.5923 232488.9165 196934.2527 158747.5859 161238.1541 253409.0496 229053.7980 PE(O-40:8)>PE(O-18:2/22:6)_feature2 PE O-18:2/22:6 1865449.8170 1842173.3250 1864711.2770 2121571.8330 2048881.0440 1189032.3640 1547413.1850 1526789.2490 1659304.9310 1341988.2450 411.7311 569.8732 1151.8610 398.8121 366.4247 377.9619 1779858.9990 1765952.6080 1825338.4520 1775709.2050 1815699.4730 1773587.0420 1826150.3670 1791471.3110 1757767.9470 1099717.6410 1083343.8120 1121902.1660 1186537.7340 1913926.9040 1716656.1220 1735861.7090 2060458.7030 1955307.2500 1667367.5970 1553280.3980 1697477.8850 1862184.6080 1737492.7240 2337131.1440 1472432.8820 2734216.7110 2194788.1060 1532605.2350 1471797.3430 1547635.3830 1691818.0050 1752874.7260 1920995.7320 2412609.3530 2506091.5200 1730087.2660 2312741.5110 1637002.7670 1604676.1250 1722261.9000 1552855.8610 1775683.4980 1594390.1460 1833233.4260 2208083.9230 1587355.2570 2286959.6020 2297764.3430 1297803.2090 1439051.4150 1509055.6370 1404374.3920 1513677.0500 PG(36:4)_feature3 PG 36:4 11185.2225 10785.0685 10971.0243 12749.0692 10772.4603 9011.3961 11561.5890 16505.8557 16660.6335 9929.9538 165.9384 196.3219 204.7735 171.3679 211.9052 204.5149 12455.6317 12719.1301 12317.5787 13287.5371 13966.7864 12360.6704 13112.2636 12501.3364 12374.2756 15670.9416 15639.6318 12443.0141 11012.6595 12269.3165 10620.3817 11977.5482 11853.8497 9392.5701 17168.3148 12627.0545 12790.5383 20300.8931 14469.9231 13230.1586 16575.8066 12423.3390 11694.0259 8727.4905 9151.4376 12233.9152 12016.5548 14210.5590 18609.3561 12207.1806 19976.7980 10088.0953 13500.9677 10220.2798 14426.6881 11541.7547 13197.8521 13454.1549 12179.6878 9374.9975 10638.7032 7117.9769 10884.2001 13885.5461 10093.6777 13892.5371 14208.1142 8607.1230 12123.4670 phenylalanine_feature1 Phenylalanine 27653.0726 31236.2737 60352.7580 61984.0115 32843.7114 63419.8139 34838.5802 34409.9438 80094.0992 41289.3388 101.5565 795.3085 786.0943 112.6443 900.1126 768.6844 38359.8386 49400.9907 36863.9436 32919.5223 38117.8938 52041.5073 38799.0775 45738.1399 35375.2427 96936.2475 101058.9619 40674.3879 46024.0441 30915.3046 28624.3140 42279.2148 43476.0887 32779.2744 30994.7935 33865.2079 30106.6861 39037.6139 53528.8979 29450.4103 44243.9762 37365.8616 29409.4843 26990.1107 37147.3954 38327.4850 74017.3417 38805.2217 49343.5804 31976.4921 38383.0483 48479.7257 18881.0395 54184.4603 69904.1712 57917.3655 30290.3422 28036.9370 34276.9423 23760.2236 36677.2416 31109.7726 46694.2810 46191.1625 34003.3727 38671.3325 31856.8520 63768.4126 38166.9155 PI(34:2)_feature1 PI 34:2 67836.3056 46535.6434 50300.1181 55136.9903 55654.2619 79389.9206 51992.1519 49006.4690 50966.7766 89458.1624 531.9477 621.8283 621.6790 571.2503 688.6410 682.5800 62480.8584 52945.1017 44711.7040 34296.7598 55058.7380 58937.7206 45568.5049 52307.8532 56719.2156 101820.6199 113264.5248 47783.5236 113275.7233 60136.8052 50583.9791 56952.2712 66077.5161 38266.2711 61919.5878 59975.1922 56169.8123 77325.7244 52147.7708 48510.1594 82509.8028 56070.6997 65466.8896 40118.3379 41964.7535 47359.4051 51803.7561 47673.3099 49502.0990 54372.4981 48240.0203 63497.6152 161451.0404 59126.7105 33224.5803 61067.7064 46631.9121 62549.3434 58014.9773 56723.9488 58266.3717 43862.4156 71649.7277 55465.3309 39707.4250 153394.7136 63855.8330 50508.1838 67252.9845 PI(36:4)>PI(16:0_20:4)_feature1 PI 16:0_20:4 613655.1557 438504.1129 343116.2949 449593.0560 391003.5449 545308.5245 419654.7908 547030.0197 746083.1532 506238.6037 479.3479 454.1253 449.4380 520.6466 529.2359 530.5175 503324.9408 477127.4529 459836.2210 498016.9216 454479.7269 490106.0158 523450.4220 462730.0752 480287.5117 582022.2429 573806.7872 482135.4570 548883.2214 482703.5295 342520.3466 504148.6790 575502.5060 330375.4978 755133.6846 549120.9452 429840.0017 730311.0973 597049.7740 516364.6990 794916.2477 377516.1749 425297.1695 289114.7503 337724.7433 587462.6160 606890.3000 432676.9611 722616.0570 432295.7817 708377.4509 511259.8072 503194.7641 400508.8023 505213.8980 343725.3325 506316.1588 606326.0345 353035.6324 347100.2014 342500.2158 288258.4554 582891.7617 432160.2898 370078.8744 601416.9088 422071.3556 320693.0210 559038.6137 PI(38:4)>PI(18:0_20:4)_feature2 PI 18:0_20:4 6006044.4510 4792607.2040 3978949.0310 5247947.8970 4536909.0080 5120485.7350 4416467.9810 5849309.1580 6144962.3200 5556506.1330 781.3156 742.0363 777.2189 817.5694 729.2234 749.4063 5482772.9290 5433532.2760 5067621.9540 5224606.9760 5111322.6430 5423808.2280 5349314.4300 5427272.8640 5293278.0160 6525559.3740 6581678.2960 5603222.9230 5734237.5980 5387623.1410 3721175.6120 5550309.6050 5670591.0800 4062817.3650 7136159.2570 5975359.3580 4502576.0670 5986884.5980 5530400.3730 6054207.9220 6845459.0570 4791978.1060 5136210.1070 3767819.9920 4327456.4850 6053229.2880 5540228.7600 5288020.2330 6711916.6670 5021246.1560 6183830.4390 5151628.1060 5593482.3500 4814778.1850 5009223.2030 3747502.1590 5738916.5040 5474547.5470 4214412.8460 4257183.0100 4514567.1640 3687853.5570 5797544.2660 4883062.2610 4611416.1750 6684662.3270 5273495.1910 4057441.6880 5501564.5070 PI(38:5)>PI(18:1_20:4)_M+NH3_feature2 PI 18:1_20:4 171269.5044 151579.4456 121171.6554 133356.5787 111540.9942 131700.3948 99730.3015 141498.2921 174073.9737 118509.4977 589.0952 600.8126 582.6270 614.5470 606.6959 658.1624 131100.7014 132605.8395 136008.6354 121462.5325 132972.8940 121987.9838 134534.1145 127433.1051 136227.5720 142510.9584 146808.8469 112637.2729 120980.4760 144276.0941 104228.3401 161475.0936 168001.1447 116483.7984 187125.6258 147089.8185 116668.9840 162975.3610 134915.9891 183906.8814 247282.2364 125456.8695 146135.1924 86228.4305 92572.0646 147798.5058 159990.1182 124364.7472 182940.1804 127615.4829 204087.1808 134014.8944 153748.9846 126650.9216 137690.5486 104581.4565 137642.8229 126150.8708 105561.8520 103914.3707 114654.3845 74159.3347 148174.3073 117292.2080 112139.4865 166068.9424 126885.5030 89712.1789 127956.7992 PI(40:5)>PI(18:0_22:5)_feature1 PI 18:0_22:5 36474.3863 30342.3325 27129.5369 29048.4647 27561.5096 31888.6812 27063.2249 38441.3037 41827.8087 40041.2804 233.9839 211.6709 220.9503 187.3562 164.6035 168.8777 36133.2076 30126.5841 30359.1021 22944.8802 31052.8399 35165.0703 30466.3675 34926.1662 28721.1484 42678.6208 29822.3228 44630.9169 35928.2177 39476.9976 26066.8597 35901.0817 37401.9310 27295.0142 54391.8465 43783.9816 30354.9859 29240.9560 37617.8037 43531.8027 41051.9486 29511.6497 40787.6395 21190.5438 24892.6305 38430.3269 24724.8705 31118.5234 51366.8781 29654.0170 38529.1014 36138.9217 46329.2141 25606.0321 40979.2120 22119.1990 37535.3058 25931.8463 21300.5643 23148.6489 25466.0710 19933.5585 32121.9116 35254.3392 32996.5932 43106.6680 34076.4935 22503.3951 23164.3417 PS(36:1)_feature1 PS 36:1 5519.7460 4810.5564 8119.2762 3979.0825 4131.1825 2457.4907 1882.2951 1424.9661 1550.2009 1285.2868 134.1843 366.8225 310.2743 161.6123 444.0611 352.3520 3005.3963 2128.1863 3493.6692 2368.9717 2095.3338 2343.9719 3524.0529 3642.6419 2553.8897 2479.8071 2450.2785 2034.5428 1881.0435 5372.2487 5295.1344 5042.7065 3878.9130 4195.2312 1587.0952 1935.7636 2174.0457 2890.9751 1837.3181 5795.9028 3306.4626 3944.5564 2794.6987 3933.0204 939.3021 1523.3957 2650.2728 2628.8617 2029.1602 4391.0595 3936.8431 5503.2942 4756.0911 5479.3571 2048.9444 2245.6718 2857.4558 3457.9344 1517.1888 8106.2875 6122.4789 4626.9914 6370.8637 5785.4819 2364.7394 2422.3184 3390.9364 2762.6754 2965.3746 PS(36:2)_feature4 PS 36:2 1502864.6260 1621972.5800 1254204.0970 1618495.2340 1277104.4360 1105616.4280 1107716.2010 1422811.0500 1420933.0840 1126622.8650 375.0473 378.7748 391.8450 673.1532 1006.6745 397.5956 1459173.7210 1441963.2860 1516847.6850 1452394.6870 1460016.9030 1436353.7430 1403667.7560 1521304.6450 1468343.2110 1342580.3710 1423758.0170 1132183.4940 1217424.6630 1398964.0940 1132043.4200 1499669.6210 1753729.8900 1344759.9680 1797118.1960 1544010.1060 1170869.5930 1722206.2930 1330864.1210 1664487.5970 2086735.9430 1418426.8310 1628906.2840 1022788.1540 1087654.2260 910890.2468 1530176.2450 1331191.2430 1696153.0980 1491138.7290 2021947.5170 1489043.5690 1750193.0750 1314727.0500 1458231.4170 1246323.7650 1493448.3170 1538219.2420 1241673.9920 1307292.9890 1484591.2220 1194471.4740 2089863.8960 1373769.1210 1318722.2140 1857043.4870 1343474.1380 1206142.3980 1334999.9760 PS(36:2)>PS(18:1_18:1)_feature3 PS 18:1/18:1 103316.5948 141739.8543 87833.0958 122835.9811 77421.1289 74967.4003 70889.4512 70080.5804 112564.8896 60784.0770 239.6908 177.6848 180.9000 248.1677 196.0105 207.6543 79528.1065 95130.8371 93064.8991 83042.6757 95263.1426 81678.3591 94335.1017 99313.1382 75799.3389 79646.4209 82795.4791 55752.3114 72819.2101 120722.4997 106753.2971 129410.9012 145320.3979 116083.7580 123451.9528 88690.9321 80567.0536 92414.1502 101859.5429 138984.8177 136502.9521 92805.1658 121650.3790 74263.2011 79561.3296 78456.4293 106124.6283 85814.8878 92072.9560 96200.9608 120958.5216 119565.8469 120173.0727 103631.7260 72087.6035 49400.0575 71362.5425 72213.7765 38104.8022 84403.9711 115793.2781 79798.0997 109796.4537 93083.3299 72626.5346 95861.5785 81434.7753 59838.4664 62904.3150 PS(38:3)_feature3 PS 38:3 302091.3776 287521.6285 244283.2517 321824.7784 234536.5077 208685.1266 185817.7996 246739.8570 268674.9324 211447.9934 262.5694 539.6480 481.0152 258.6832 492.6724 458.4208 276000.6236 207856.3158 273320.5441 256556.5982 214812.6355 251457.3248 276529.0095 275977.4794 221184.9496 175355.1354 231772.6341 218477.1131 184625.7916 230494.3044 235746.2079 299206.1361 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12896.2504 234681.3585 258733.3819 277837.4808 261357.7945 257031.1875 246777.6544 246303.0282 268094.1309 249366.5957 346004.4598 331469.6027 250930.8380 300651.4799 241474.5308 249586.1145 253943.8517 264957.5391 238094.7696 326856.3961 288362.0295 203152.8706 311022.9633 267018.9001 315347.6096 363147.8895 311782.9192 242326.3149 172021.7822 141853.5019 256271.8002 255343.1121 197194.3096 329214.2698 197745.0851 431482.1745 241833.2367 225443.9016 195463.1399 222728.4469 264816.6712 210174.6386 202429.4279 252741.5822 208844.4424 261650.0099 145852.0857 301859.5218 268419.5398 251120.9185 252092.7525 304740.8023 185035.6445 307632.4920 sulfatide(d41:1-OH)_feature1 SHexCer 41:1;O3 10205.7557 24066.4309 16912.7784 26747.9889 10330.0880 7683.3904 10890.3451 15068.9388 14940.5184 8945.3341 173.3011 165.5290 170.7869 179.4807 184.3245 193.9244 18699.1631 18883.1517 18175.8080 19816.5706 18783.6005 12858.9939 20066.9339 18989.1212 19726.7560 27484.8818 23829.8421 15242.4882 15976.7300 21914.3867 24918.4396 26855.4381 27552.7335 19269.0939 22698.2044 17283.0109 25477.5123 23520.4613 19338.1357 28657.8944 29790.0615 27235.6448 20826.0994 15735.5576 8787.3439 14927.2572 17595.7791 21847.1931 20114.2858 25990.3689 26090.7138 18797.6307 19822.5880 19306.2432 11662.8793 10869.5233 11570.9371 10810.8426 11718.2350 13067.4829 23387.5741 11210.1026 19984.0108 17231.6966 7582.5412 15333.4993 14264.7404 7891.5282 14622.3059 TG(34:0)>TG(4:0_14:0_16:0)_M+NH3_feature3 TG 4:0_14:0_16:0 32125.4040 92295.7943 35055.1366 61471.3383 43024.2071 141694.8951 52882.3208 82379.0766 201627.1453 49745.8279 1735.4442 4872.2080 5371.6472 3753.8203 2071.1287 1772.9259 100501.6205 99026.2642 107427.0098 103052.0239 102529.0741 105066.7192 94960.7756 110207.2890 97830.4474 39216.7928 40976.2838 17931.0079 24567.8267 136641.6889 54782.6396 77760.9267 128442.4347 119963.7998 125741.7795 131717.5045 77000.3071 92550.4184 65835.9044 30084.2992 130695.8803 24702.0219 84227.2612 88028.1260 425384.1303 51011.2436 197831.3431 36122.5736 56957.7705 118205.5582 72933.9266 81323.9478 64356.7402 28703.3933 72925.1845 171107.2447 43193.6363 32859.7639 38753.8205 65067.8802 88305.6931 71211.1832 156468.6409 118268.8861 61859.2679 48624.4412 65192.9255 174756.3690 100460.8859 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 TG 4:0_16:0_16:0 131757.9937 465715.4984 82512.3323 172402.1237 92145.8495 236989.2901 91045.0316 157680.1625 379478.7929 93094.6006 2848.2861 2964.5058 2867.9885 2165.4910 4719.8654 3272.7782 172068.4751 159780.2769 163318.3031 172200.3024 165965.0957 165732.0395 165781.9430 171303.6262 163355.2683 75657.7804 82050.6971 54124.6038 56788.6250 554021.3272 112410.4942 201652.8406 161922.8345 191277.3349 164991.6962 226938.3871 87000.1720 125087.9406 76865.5891 80059.3180 423303.2474 43573.2087 124990.4651 223674.1481 564487.0502 80318.1874 156538.9233 51453.6506 74483.3675 307027.3034 264854.6824 305699.7899 214152.0171 54436.6698 104830.7519 229162.2009 78454.4111 52053.7140 64253.1411 236170.1034 194680.1387 235746.3238 790168.1991 297135.6028 66887.8613 69444.7539 86708.6636 135927.0937 147628.2566 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature3 TG 36:1 131449.2630 531663.0870 99573.4974 237260.5223 129873.8941 506533.8647 196078.7340 273044.4201 719038.4817 159775.2778 255.1933 5677.6527 5875.0912 259.2843 7442.5118 6921.8228 377570.4159 378961.5393 419418.2336 393717.0214 390982.3728 379529.8887 388457.3586 398168.7674 382217.3715 132050.8994 126651.9083 45496.6405 50380.5699 857596.4173 230797.0362 370951.9554 522269.7304 481533.7385 469332.5983 524121.2931 273584.2881 320208.4533 187054.9962 118432.6610 653042.2956 74651.3665 281120.6497 384414.2208 1662076.7820 172447.5467 840310.6252 115664.6196 171534.5683 433182.9225 323008.0898 499727.0317 285407.4205 68677.4084 250771.0472 628520.5884 115032.3104 94602.0989 141993.7918 261526.7778 333189.6313 318346.4252 909959.8515 465543.9239 239672.8836 172962.3225 257339.6416 646239.0650 385318.0752 TG(36:2)>TG(2:0_16:0_18:2)_M+NH3_feature2 TG 2:0_16:0_18:2 147366.0132 449279.7911 118870.1909 231059.8550 139786.6015 573846.6550 262284.9297 331508.9607 823429.4594 194946.0957 209.3859 259.7276 257.0271 205.9971 264.9378 282.6401 432281.7785 428845.4685 416055.4269 452474.9063 424139.6440 430220.5927 426536.3303 435737.3484 427413.6620 221252.6843 225457.2222 76859.9622 81879.2307 979460.4390 213913.8582 366779.1505 575643.8311 644962.3253 658146.6527 721475.5107 343628.3454 383636.1232 227513.4574 132445.9938 629949.9181 72575.3504 363477.3716 411694.8090 2340232.1830 188039.6452 1011684.1510 186662.2249 277613.5141 493866.7385 304717.8273 535040.0021 328815.6825 85196.0063 302030.1315 918628.3874 164171.8062 119133.7173 162361.8023 230514.1426 383515.9626 315183.6756 863512.1146 467691.2231 317656.2791 247096.7751 432767.3562 924412.1331 541045.6238 TG(36:3)>TG(2:0_16:1_18:2)_M+NH3_feature1 TG 2:0_16:1_18:2 6024.7387 33171.8166 6485.7043 20631.0598 11137.3652 42878.4123 11649.8602 19508.7821 50432.9373 11761.6769 256.8385 246.9273 250.8245 272.5083 256.3570 261.8366 28179.7174 29938.4145 28749.4298 30336.8095 23243.2716 31121.2105 26167.4656 28568.8796 30671.2003 11807.0847 12630.7275 4023.0885 4852.4847 85322.5154 18748.4951 31720.8340 51761.3322 44259.8514 54258.1354 31201.8084 26075.3321 26666.5574 16364.7989 11430.8191 54294.4383 6407.1193 26339.7749 27221.9325 139524.6022 14594.4719 68681.3945 11087.8170 14183.0185 36521.7145 23401.8589 37689.5305 25900.1259 4784.7437 26502.5493 76336.8179 11552.9183 7535.2393 13237.4559 11332.9292 26851.2045 26017.7935 55625.3912 33850.2128 16843.7495 16642.7153 21043.9219 46368.9326 25053.4996 TG(38:0)>TG(10:0_12:0_16:0)_and_TG(10:0_10:0_18:0)_and_TG(8:0_12:0_18:0)_M+NH3_feature3 TG 38:0 69025.6987 130158.1446 39165.7247 73097.0020 39148.9108 95827.5277 48035.4448 71004.8700 164251.8717 40995.1762 2672.6199 2974.3421 1484.6979 2029.3917 2204.9168 2431.2285 79293.7025 77381.8496 74645.0156 70934.0403 76431.3533 80400.2454 80351.6380 76399.9352 74229.4907 56530.2138 53299.0183 32405.6568 28428.1699 219292.8651 61403.1036 85773.7613 79545.6245 94982.9358 79830.5330 128247.6391 43180.3439 58314.1076 35285.6584 38791.5659 166094.6890 23397.4055 75949.9904 103919.8096 240988.8884 37771.6131 68154.5291 26691.9010 39458.5740 138429.8419 97703.3019 122891.1188 76296.8373 41591.7061 47601.3901 87925.9377 62330.4026 27242.4620 30021.9185 86926.1041 76509.5390 87290.4061 323759.5182 118981.4087 36326.4319 38074.9593 43522.3881 50261.6804 68119.2311 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature2 TG 4:0_16:0_18:1 600914.7559 1977625.9380 342786.3238 804662.0710 431290.1806 1144140.3990 418587.9973 708361.0923 1790452.9600 407673.4747 339.2430 269.1428 332.8934 378.1439 452.2737 388.5257 848593.7980 792438.6232 860483.0168 831746.9441 852313.5721 849425.4810 835043.9356 842274.0622 814564.7983 333805.6201 375112.2383 154887.9223 174747.5986 2730437.4850 625124.2738 1055953.6510 886574.5632 1020759.0070 811758.9410 1456410.7120 418413.9713 587953.4705 347727.7696 416718.5540 2337167.6160 191570.6848 728042.4516 1052761.5990 2808214.7430 326955.9594 780061.0735 182509.4598 352105.2606 1502996.6150 1137706.2640 1493132.4970 998210.1646 197236.9461 472685.0067 1060623.9770 286384.6540 189277.3046 260910.4388 996890.2808 910058.8120 1083920.0280 3562798.8930 1434228.4370 269493.8500 276598.0506 381069.5931 639244.1191 674584.5567 TG(38:1)>TG(4:0_16:0_18:1)_M+NH3_feature3 TG 4:0_16:0_18:1 18377.8423 54636.4305 12841.9213 25837.9808 16777.1331 62684.6612 21990.2851 29043.4199 64768.2591 28429.6790 347.1118 356.5607 331.6898 277.4811 334.6987 339.7434 51810.9491 45670.4785 42777.0306 38804.8383 36831.9056 41051.7230 44229.3902 46901.3550 51162.1463 19301.1535 21186.9646 7693.7901 8743.6689 83540.9276 26554.4935 44991.1424 60982.0155 59897.8444 51297.0233 47122.9748 25364.2532 36807.3513 26406.9806 14009.3283 52568.8817 8434.7864 34430.6022 55586.7958 176013.9019 19124.0196 107477.6575 16709.6584 22242.0856 54329.9022 23732.7939 50052.9410 33485.8814 7691.9276 33803.2988 88477.9624 15762.3270 11072.6588 15505.4850 30688.2338 33414.3503 41389.8274 106102.9639 41063.2173 25958.4876 19265.4794 38445.9332 84043.9332 37453.1964 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature2 TG 38:2 819195.8708 2361921.7300 449514.6851 997547.7204 478630.2675 1627423.7690 676693.4293 1055927.1110 2710518.0960 597905.3197 298.6157 270.9704 285.1875 238.4101 287.6515 292.0692 1348987.4340 1192259.8320 1345627.6100 1365091.7040 1293702.6540 1196285.7360 1260800.9350 1345696.6130 1325330.3900 595835.0149 656504.7782 240042.5484 271267.1157 3538539.8230 808270.2295 1315352.6240 1461187.9090 1673101.4150 1248672.5330 2679849.4520 711971.8724 892095.9217 543824.6530 460697.2498 2497850.5580 240182.5754 848888.1378 1519810.0590 5366580.1090 439627.8488 1360031.9460 306891.7348 563193.1115 1990274.4730 1394227.2510 2108972.1070 1170821.0040 299919.4556 716829.5291 1767901.8470 466272.6859 307441.4627 375115.5897 1058122.3020 1237302.3180 1508730.3500 4051724.3680 1998146.0940 521216.4836 468247.9516 647832.0305 1144928.0310 1052016.1720 TG(38:3)>TG(2:0_18:1_18:2)_M+NH3_feature2 TG 2:0_18:1_18:2 108600.8275 363675.7538 86629.5167 154796.7712 93974.2058 391048.4214 160886.8591 227024.0284 547976.8459 137921.9508 260.4725 343.3914 343.5657 278.2849 358.3535 389.6623 285335.1462 331640.3746 290996.8503 371529.7409 296752.2574 300784.0358 306878.7969 320002.9796 305046.7111 153616.6454 163608.9347 57192.2980 48991.3270 663603.2934 142624.8339 284040.3761 429866.1836 457094.4546 426832.7087 476429.0057 255082.6086 294510.6454 181839.3628 82058.4391 503215.7079 56140.2193 237023.0915 281467.5319 1699421.2940 123466.7095 819943.2341 119095.4831 189235.0230 428387.3646 218934.7667 438757.6192 232415.4124 56133.4707 199695.0909 643857.3741 118760.8703 78646.8603 105654.8745 148521.7221 280507.8749 230007.9909 586394.7210 369324.3519 248592.2286 174517.1228 322337.0933 786852.5340 456541.9589 TG(38:4)>TG(2:0_18:2_18:2)_M+NH3_feature1 TG 2:0_18:2_18:2 12573.4645 46584.9995 10400.4296 25324.4598 13989.0120 92996.1592 39804.4143 47898.4587 116290.9657 25706.7475 383.1928 224.6731 215.0962 350.8279 244.1585 257.3917 68640.3837 66229.9776 56308.3562 66644.7300 60403.3156 65637.9708 62350.1225 62081.1461 69287.7454 37123.4541 37544.6432 10425.6236 9931.6925 128773.6675 26564.9934 45541.2336 94314.2438 96516.8937 92606.1786 121433.4753 50219.6951 58084.6580 39000.6478 11620.4312 66738.2192 8092.3468 50725.5990 54802.1318 451324.1220 26132.7740 226900.5661 31217.2852 47203.6743 62295.4558 35311.4584 72217.9023 44036.6492 10226.9330 46277.2305 171287.3888 25824.4511 17576.8677 26570.7380 23197.6656 49565.0475 44470.7719 107278.4338 67691.7723 54077.3303 42676.4812 83497.8264 201141.7434 86483.4931 TG(39:2)_M+NH3_feature1 TG 39:2 14455.9550 51964.7022 10204.0132 23843.5132 10888.1276 39340.3070 13255.7057 17470.6840 41849.8362 11169.1493 404.8239 822.0922 731.7614 370.8962 863.1698 890.1747 23467.4286 23000.4757 26943.4979 23104.7186 20982.9151 21676.7493 29054.4231 23979.6706 21806.9995 17261.8907 15706.4993 3937.4228 4702.7667 54414.0448 18121.4741 31974.1423 37145.4907 29460.2509 27051.5475 51658.4821 10203.2249 17336.1816 10638.7514 5605.1812 51247.7717 3696.1579 20315.1357 26573.2855 166068.3730 7782.2847 46730.4990 3924.0366 9131.4275 43913.3233 15467.0975 42427.5287 16010.9072 4904.9002 10579.1823 40940.4490 6488.3738 4484.0682 6370.9506 13104.2807 22905.4186 26813.8386 66862.1676 38792.8975 12838.0297 5921.8694 12891.6067 41437.8336 19271.8171 TG(40:0)_M+NH3_feature1 TG 40:0 35930.0424 71637.6555 39867.4518 42965.2172 34651.8856 75090.7664 44556.2206 70479.2125 117923.3704 37015.7179 5699.1528 5346.4276 6275.5477 8825.5503 7351.1594 7394.3790 55526.3663 55897.3882 53971.2670 53447.5604 53393.9891 54382.0047 55407.7315 55142.4151 55179.6154 46305.6907 49399.1535 28557.5038 30511.7584 101403.7791 39785.3624 55108.6336 49557.3140 43326.6941 112825.5054 96620.8267 57157.3644 77523.6554 45224.3125 36794.3472 85479.9574 30009.1741 53865.6091 45166.6288 140231.7920 54579.5142 103832.3796 32239.8706 41649.4440 63953.4286 53024.4414 58069.8496 40526.4665 25805.5401 51455.0657 77047.1532 44204.8947 34372.5108 35922.4532 38408.4168 40975.8758 37117.1206 85487.9985 61231.9761 38771.3683 36307.1721 35962.7266 45817.9923 50887.8640 TG(40:1)_M+NH3_feature2 TG 40:1 206360.0833 463377.1096 103279.2831 250186.0670 105676.2110 327834.8889 151484.2353 238711.8268 615215.0779 122900.8897 212.1202 178.6742 185.9528 199.4674 193.1417 215.3127 268307.8313 247668.2400 270840.7536 259432.1390 256487.4009 249938.1062 250507.5735 271998.9650 263761.0225 135030.6384 144065.4500 55124.9395 57582.4750 813748.2865 194725.3211 294488.8521 272981.0862 364552.1005 285358.8847 562686.1470 130840.1429 177771.8991 101802.4092 114797.3802 604476.2981 59154.7876 240453.0676 362163.1826 1032156.9600 94681.9765 254926.1763 66238.6204 138327.7155 454874.6354 293877.5947 412630.1116 238696.2423 65333.2682 126314.8278 280463.1816 105687.6540 59951.1655 75758.1064 257975.8919 248734.9983 279091.8205 1071676.0970 439464.0958 92114.1629 87115.0755 130288.3333 165815.3300 218731.1442 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature2 TG 4:0_18:1_18:1 197523.0265 413956.8379 137869.7717 240685.2616 148103.6399 310326.7528 176491.2820 232572.4049 457742.7021 164397.5518 580.9470 527.3547 555.2249 470.2576 637.0832 576.0776 323439.9470 296959.8152 276784.2038 272106.6097 248411.4313 261841.7939 291484.5137 298166.8047 326529.3183 164828.0083 198220.7811 121642.1145 130186.3809 509459.5696 197375.4224 273989.8087 309786.4127 341539.1385 257798.0886 448026.5142 172468.0306 253942.1143 174772.8691 136378.5953 430923.6912 119503.7627 226153.4753 345458.1506 737889.8604 130790.9882 280882.5949 128486.2205 205430.1640 447565.8119 329815.0173 337786.5060 263210.5189 98999.8224 194814.4910 367521.7380 141865.0352 136369.3436 142208.9065 233442.6839 264318.3897 291783.8586 725243.2189 339140.2120 152004.5483 125691.5771 174039.3242 246472.1360 205513.2514 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature3 TG 4:0_18:1_18:1 303431.6184 1284288.0310 198755.7346 374825.1839 220368.7007 678235.5611 276453.4775 512132.3346 1664527.0720 243774.6654 350.2458 238.3986 270.4288 291.7320 241.9390 292.5701 495797.3712 548028.5265 489252.0315 452447.6408 446786.9687 615870.5823 423669.5078 425135.0400 582080.6239 252652.4240 256024.6141 113165.3111 100594.0859 1523782.2310 225561.6192 535520.9599 533280.0458 649565.5348 551202.9735 1103416.9790 327249.2163 319978.7880 275436.8006 220989.6776 1187078.1400 130048.2948 420870.3200 607981.8771 1855235.1590 154543.6923 441283.4067 135879.6038 276674.4874 787752.6657 603243.5645 1069427.3870 621469.1645 109929.2818 379364.3706 823417.1393 168873.2649 106541.3442 103402.1910 485351.2232 538160.5885 697993.1236 1618025.8790 841998.5641 176169.7245 163020.7780 237262.7800 305272.5344 435340.2482 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 TG 4:0_18:1_18:2 413186.7765 1247148.7480 256896.7143 558212.9709 264797.4004 1002033.2040 388243.7975 646261.4298 1612675.3480 379897.4183 292.4311 265.2312 279.0129 224.2675 270.4244 274.4109 756605.8828 721194.3960 742677.6471 757694.0670 736545.6392 721792.9597 725152.3871 753108.4573 752720.5374 397835.2268 436705.0543 144997.0259 149593.4527 1977741.0530 444424.3455 792301.5000 857145.2958 1014838.4700 724533.6148 1413250.6970 394458.5877 522225.9816 337361.9231 264154.5034 1450420.9050 144422.9422 508390.3909 850546.4541 3431218.2260 247782.7576 755813.2831 168966.9993 343395.1446 1078500.8250 717450.4500 1082730.3250 670124.8737 149550.0548 370158.2986 1077873.9910 235489.6728 183663.6945 218011.5539 513323.1089 689206.1406 759197.4243 2083598.6680 1165882.8560 277305.8154 228054.0629 381871.2280 607241.2720 619812.0993 TG(42:0)>TG(10:0_16:0_16:0)_and_TG(12:0_14:0_16:0)_M+NH3_feature1 TG 42:0 41156.3471 140027.8633 37115.0952 58048.5418 36562.9477 169555.8108 61842.7968 107777.4787 231141.4500 62553.5486 7021.7923 14040.4603 9322.1307 4706.5687 3820.1603 4137.5470 86932.6113 92463.6195 89882.9124 87951.7762 85404.4233 87774.6383 91394.1203 92900.3179 86153.0083 45818.2839 51926.9267 37788.5801 22964.7883 182141.4503 61457.1903 78775.2071 90150.0370 112073.4718 245969.8939 227270.4683 127663.6510 147631.8381 70006.2380 47039.1211 144660.6631 45400.3505 97461.7200 84386.4123 359988.4615 86865.0304 253040.3836 55841.6294 63293.4528 96323.2152 61565.6236 95548.5903 86359.8378 20693.4225 114109.4592 190477.2546 54549.3590 40331.1973 78461.7392 50888.0092 52162.3912 56594.0365 153390.5900 72392.5427 61638.8862 30628.6729 60510.2076 120230.9380 51119.0578 TG(42:1)_M+NH3_feature1 TG 42:1 69782.0015 310915.1693 50631.0081 111539.7614 67469.5493 302340.7563 107969.0933 235778.6031 447016.5385 102675.1994 245.9751 264.8217 263.0011 265.7404 341.1271 690.7989 178893.3874 182826.0987 176623.1872 175471.8057 178567.6714 174829.6968 173700.6296 182879.9708 181480.7445 120236.5446 125935.5294 36385.9566 44040.0930 436762.6186 127401.5943 163501.1317 171957.1090 166506.8235 516776.2979 397936.9772 213614.4884 299376.1579 110327.4314 76981.2842 365793.0300 60850.2828 174896.7715 133536.3811 681294.9337 147884.7462 469814.8885 63613.7326 103796.7255 202378.1173 131092.3957 215934.5346 115011.8939 27340.2340 172434.0435 312936.5745 103599.3221 45995.7206 90010.6554 113674.4457 102516.6844 98548.5171 378808.9637 138078.9065 97202.2559 71233.8841 102283.5239 173669.3106 163114.2035 TG(42:3)_M+NH3_feature1 TG 42:3 58386.7660 149079.2232 37804.9675 68861.3611 33980.6319 84420.8795 41019.8017 65369.5542 136138.1494 37073.2949 265.7800 181.1805 205.8351 250.7192 208.3137 252.3782 72189.2906 73860.6620 86341.0218 73324.3228 79014.5565 72737.0770 74229.0360 80182.4855 74028.8135 49623.5487 52489.6516 19650.3358 19927.2761 235103.2925 51553.7975 93679.0691 110198.9348 122075.0276 83658.6252 212070.0754 35768.4333 57216.6990 29067.6228 32169.0133 176032.3669 18898.8506 61453.4662 96340.5534 326110.3784 27551.3599 83738.3813 20975.9279 48069.0992 157987.1195 97128.4915 113007.0156 84330.4904 21489.6941 46726.9734 105201.7295 34023.4058 17532.6696 24697.2774 78751.5722 91858.3336 90821.2919 336819.3551 153154.1217 33340.9510 27440.5224 37130.6527 63217.9695 67001.5740 TG(42:5)_M+NH3_feature2 TG 42:5 18532.4908 46273.1270 13555.4017 25053.8008 8459.4445 29123.8892 19559.1279 24829.3115 61778.9633 11443.8873 222.6477 240.7501 273.2601 236.4219 257.1557 290.1474 25701.0484 25538.8146 24708.5673 23513.5765 26184.5317 25947.5418 26388.7798 24262.3350 25032.6885 19865.3545 20560.2872 7350.5395 8973.5072 45031.0327 14661.4451 23603.4693 27005.6383 31632.9884 16790.8087 92889.4902 10708.4986 20374.1121 7623.7072 8592.1947 35213.5892 1915.4928 16775.9293 31110.8046 139799.3812 6921.1705 13915.3847 6599.8900 13837.1679 59462.4250 30966.8554 41068.0308 20425.5702 8151.6539 9441.1346 28498.4624 9690.8222 5758.9732 3609.4754 19398.9639 28101.7956 29019.7442 105186.7710 52275.9067 9358.6213 9509.3843 14958.4857 17759.2401 19292.4000 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature1 TG 10:0_16:0_18:1 14430.6665 54253.1363 11628.2710 19724.0527 15204.5506 56215.9571 22327.4679 39342.6201 60785.6721 22756.2028 276.8591 215.9521 216.3223 373.2338 386.4542 452.2649 31601.2205 32765.0225 30396.3796 31555.5614 25813.6980 30700.0144 29412.7105 32736.8709 34470.3429 21830.6641 26069.4640 7865.0178 10272.0440 63466.4917 27647.6767 32227.8927 24472.5715 32357.7324 76485.3442 47274.4523 36150.1164 35234.2376 18924.3746 15364.8016 51560.4985 12436.5543 31970.8261 23940.1409 60636.8871 28997.1394 58620.9803 11664.5971 15159.0044 27285.5189 12679.1180 36263.0230 21111.3845 5792.8226 31942.5205 49776.2406 20219.0620 8436.7527 17752.9957 26900.6899 19077.0450 25918.4410 53465.8201 25408.6385 18314.6873 15241.8811 18560.8892 27458.4380 26866.4741 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature3 TG 10:0_16:0_18:1 143246.6397 782618.6284 127389.3171 276140.8132 190354.6036 893064.2052 264749.0689 502853.8515 1272695.4660 277958.7045 264.5051 375.9556 294.6739 323.5776 297.3101 297.5997 491544.6967 463695.8530 488232.3032 482304.2982 493158.4162 485641.4222 484749.5130 501565.3724 461717.6062 228308.8302 259704.3111 54932.7623 61285.2837 1370770.4460 352375.7622 477131.1202 606163.9722 599333.3978 1494399.4380 1140992.0610 671326.8665 834159.8606 330495.4062 176650.2833 944214.7749 137432.6267 505990.5386 419423.6907 2421522.9130 420990.1052 1748217.0830 161939.8730 299778.4227 494587.1514 256794.7853 529115.4787 282849.1127 45826.9171 548741.0369 1155637.6290 246269.0903 121094.5408 270349.3741 217500.9901 242576.1893 244632.1168 815560.6792 298095.5419 259853.6572 103644.1766 247167.5350 707708.0747 278960.9166 TG(44:2)>TG(10:0_16:1_18:1)_M+NH3_feature2 TG 10:0_16:1_18:1 265863.8869 985190.1821 172551.1188 444840.2144 264836.8425 1403641.6350 580566.9572 1036109.3430 2152646.0620 527628.4548 244.1385 255.9606 241.9783 246.6641 289.7415 305.5276 865475.7873 860230.8336 820762.1189 810834.0641 826890.5295 803234.4250 835455.2969 840551.8813 880747.4031 606429.8324 678810.0095 154188.5798 190575.9426 1661514.0620 458854.7955 613157.1576 894218.0080 844916.6660 2372615.8340 2265687.6680 1061779.6590 1507874.5540 618965.1589 252080.2715 1298218.8150 217091.2688 727449.3117 584080.6375 3950370.0150 715030.2715 2998929.3970 367090.1153 641271.3947 785578.9725 470599.9109 755288.5235 427173.7871 87112.0372 786531.2489 1556659.7700 471514.6659 271940.3442 422171.5878 318561.4734 394565.6443 344104.1485 1245968.8670 561294.7451 480640.4539 307752.7021 564114.4126 1105242.0190 685482.8516 TG(45:2)_M+NH3_feature1 TG 45:2 12800.6395 54742.5910 11620.2657 26267.3215 13580.1732 70131.3227 25753.5931 44252.5011 119553.7515 22727.7905 320.0223 296.4649 307.2678 330.6270 340.1914 360.6793 43652.3064 44217.7993 40762.1224 38209.3659 40495.1004 38321.8533 45762.9453 45804.0557 40152.2253 30038.7147 30686.9033 8174.5398 9288.6745 107445.1741 21028.4061 33683.3315 64171.5447 56939.3004 117882.2721 116927.5924 49724.1921 68740.4233 30658.9210 13183.9769 83259.1169 13014.4317 44060.1287 37632.6798 291679.6460 32362.4372 184731.1805 19219.9119 30936.5935 47807.9387 29702.3115 45269.2695 24005.9116 5467.4521 36782.4072 98555.3175 22373.7946 12768.2594 22800.4748 12640.6239 21739.8023 18140.6423 57724.8444 31725.3232 46107.4624 11179.6280 25085.5685 74090.0585 32015.5758 TG(46:0)>TG(14:0_16:0_16:0)_and_TG(12:0_16:0_18:0)_M+NH3_feature1 TG 46:0 1270949.7630 2450039.7370 1214652.8390 1525649.1030 1409403.4490 1501931.9240 1118318.5840 1586194.3500 1698016.4730 1413107.4630 713.2913 999.6169 1607.4321 311.8733 2046.9504 1925.8126 1612619.3890 1639860.6630 1555647.1530 1709374.5440 1648379.2090 1660742.1570 1616142.8610 1630117.4880 1599213.3960 756674.1905 761469.8344 464434.3276 501029.5992 2004955.9000 1590586.6990 1601893.4230 1421776.1670 1673408.1070 1980521.9750 1713963.4860 1792497.8820 1771450.9530 1346532.2700 1186418.6500 2263402.2230 1033681.1390 1855438.4960 1524602.4610 1092874.9240 1792403.5770 1183842.6730 978139.2598 1195926.1150 1654251.0980 1410560.2710 2060212.2630 1378115.2230 579899.3505 1893862.9410 1737815.5820 1374690.1630 983071.6556 1486825.1370 1753569.1870 1194407.8970 1484651.1100 2501556.8730 1297873.6370 927912.8327 628501.5602 889649.0017 1064480.8100 844820.2925 TG(46:1)>TG(12:0_16:0_18:1)_and_TG(10:0_18:0_18:1)_and_TG(14:0_16:0_16:1)_M+NH3_feature1 TG 46:1 20488.6025 73009.7198 14194.0312 34244.6983 23646.9435 90716.8065 31232.4101 59908.7052 99539.9141 38793.0482 140.1080 137.8430 144.5339 261.5827 267.7322 283.9718 57239.8733 49904.6350 52814.9545 55983.2606 54104.9564 56603.6023 51979.3755 55849.7252 52337.6214 26518.2355 33979.0711 8657.5842 22978.4595 97442.2232 46661.0985 50913.4374 48535.9882 55798.4896 123011.3613 72259.1257 70616.2599 82640.7504 41870.5319 25162.7135 86853.5030 19653.3252 47948.4725 44328.8336 105414.3534 50548.0675 113488.2685 22592.9762 33415.0323 52601.1028 32380.3607 57028.8581 31936.4831 9376.9479 58318.8467 79364.6615 31038.9988 15627.7891 31742.3750 27777.6997 27122.3921 29760.7884 80843.3928 33667.6391 34446.0764 16595.2766 30450.2270 66016.1390 35833.7784 TG(46:1)>TG(12:0_16:0_18:1)_and_TG(10:0_18:0_18:1)_and_TG(14:0_16:0_16:1)_M+NH3_feature2 TG 46:1 1299519.7290 4942117.0100 1075124.7280 2298282.2600 1782283.7500 3965801.2960 1333882.6190 2355767.0860 4915673.4190 1752808.9720 254.1064 248.2283 251.7877 368.6334 258.5584 806.4018 2902344.0290 2886440.4810 3026460.5860 2964814.5170 3058978.6760 2773626.6310 2952507.0090 2927253.0280 2959795.5110 1117631.3830 1185966.0880 346797.9150 380920.2725 6319631.0280 2708513.4950 3249502.6260 3659296.5460 4031404.2480 6337080.2220 4706914.5360 3329637.9360 3748517.2330 2000022.8810 1631066.3030 5763602.7630 1302729.3680 3654543.5550 3207802.2010 6159680.2600 2528975.2450 6118999.4750 1095732.4480 1664723.7500 3191246.0630 2053402.4560 3684648.8170 2337019.2790 410541.7481 3176626.2790 5070752.7760 1452278.2470 898316.1378 2023355.1470 1910892.0270 1719205.6020 2064703.7300 4795121.8900 2053286.9370 1284483.7130 629050.0826 1076196.2450 2873607.0210 1358608.4980 TG(46:2)_M+NH3_feature1 TG 46:2 59417.9851 171132.7589 39139.2624 87900.2540 55080.0779 254679.4039 133880.3159 225112.1115 371973.9832 125317.9305 202.3953 203.6039 236.2092 334.4762 396.9071 422.8696 184561.2030 180086.2471 157394.5737 170394.8787 152145.2662 165987.2601 166460.6930 171195.0216 202115.2048 135819.2757 165320.4915 44195.3353 53733.2014 277206.0342 93862.3931 119874.6330 131714.8953 183205.9626 398791.5218 369408.1255 225799.9093 258194.4183 139867.0075 54771.7355 235704.6337 50617.5915 133896.2655 131145.9688 533640.0075 155937.9125 456818.9775 82788.6140 125948.0027 146280.6031 79091.1707 151559.6604 76387.3389 20668.7846 138735.3560 304770.2247 106663.8114 61775.0933 108947.8906 75242.3128 78149.6254 91506.0078 217769.0517 111291.3544 120788.1181 76190.1432 123276.4641 224439.6968 147452.8030 TG(46:2)_M+NH3_feature2 TG 46:2 757204.6190 3479904.8280 548242.7123 1308108.2080 1015294.9170 3757522.5370 1267194.4490 2157454.4340 5214400.6450 1213695.8580 281.2320 282.0386 297.9591 310.4451 325.4681 325.7373 2405603.0660 2405889.8430 2425563.9490 2444376.0210 2323871.4190 2462468.4220 2377430.1310 2552877.9120 2317169.5860 1292982.0280 1366020.7280 301305.3521 335401.5137 5931440.4710 1679103.9410 2177683.5200 2887928.9410 3419746.3090 5926182.8460 7090630.0070 2851388.7460 3495542.7060 1521083.9930 838256.7951 4393935.9530 668507.1229 2220611.5270 2262916.6670 11517611.5200 1633281.3440 8281802.6550 855211.4131 1659862.5580 2522748.4990 1291509.4300 2792524.1120 1492152.8330 240847.1387 2583228.0760 5866755.1260 1133328.5210 679183.6852 1136086.1210 1022381.9000 1124352.8790 1292174.8470 4255437.5120 1625847.8910 1324682.3700 538818.4775 1168826.2150 3874313.9720 1410197.8750 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 TG 46:3 269815.8422 1144459.7380 185725.8587 508617.3957 333724.3155 1489272.3530 561172.0460 996598.2022 2280790.8270 536813.3764 237.7143 232.4664 230.7907 281.9819 220.2705 254.9209 962843.8988 956355.1367 928618.9882 942159.0889 942619.9881 916724.1735 963836.1058 956996.0878 951669.7864 657516.2760 703052.5484 167737.0915 191007.9436 2166334.1390 540819.8356 777847.7497 1230802.5060 1135997.8660 2576298.6310 2221250.0310 1071306.1470 1549222.1800 679559.2445 317945.4339 1643390.4880 303118.4388 884829.5864 708189.6748 4731181.3880 704081.7215 3476232.2430 407273.0640 659757.4455 952541.3665 517504.6757 955794.2919 547761.9237 99168.2354 850946.5113 2142971.8540 438212.6024 288042.5473 470254.7692 304842.9948 500631.4443 385516.2252 1208460.4280 630422.7060 551328.9970 329271.0662 638761.6503 1437448.5770 756028.2679 TG(47:3)_M+NH3_feature2 TG 47:3 17812.1456 87090.1967 20881.9501 34497.9105 26321.4802 93830.9790 36607.6257 70954.4755 167131.5069 30402.5722 339.3467 313.7351 324.5137 304.7923 313.0452 331.3001 56674.6775 64083.4095 66523.4147 62942.1305 61425.9814 61887.6297 58860.5569 69140.4562 57770.7761 39524.3756 45389.9141 12648.3553 12538.9123 193564.4373 34353.5056 60451.0129 112936.8588 104396.0973 177964.1299 182813.9168 68571.3947 93818.4829 40659.0585 22040.8724 126375.0087 21891.4886 70845.8288 62895.7623 392674.8741 40581.2343 259922.2007 22816.4207 48398.2841 74977.5494 44127.4856 63266.4319 46170.6361 5671.9359 54714.5319 166206.4598 31163.3609 22066.7781 33452.5107 17145.2319 35484.7239 34278.2017 88845.8171 49625.9947 31250.8517 16425.8990 35668.8208 109398.0441 39852.3759 TG(48:0)>TG(16:0/16:0/16:0)_and_TG(14:0_16:0_18:0)_M+NH3_feature1 TG 48:0 7717704.3890 15965498.2100 9699619.8090 11118639.7900 10483673.2700 10772727.6900 11337542.4700 14789661.0400 11892839.0600 13258369.5400 9029.3660 26325.1770 31083.7149 11759.6183 31519.1243 33945.4311 13495246.0200 14338329.4100 14070877.9400 14321781.7900 13493783.1200 14539911.0400 13566443.6100 14433918.2200 13666343.0800 7127131.5850 7410683.1080 4884697.1840 5137965.4910 11254872.2400 12478930.2600 12621497.1600 11937207.8100 14101951.1800 15528679.9400 9225627.3200 14542055.7100 14502683.9000 13147150.1800 8785395.4900 15813340.0500 9196627.8200 14462302.6000 13653050.3800 5480300.5460 15540375.0700 7459520.5630 9374200.9540 12591615.7800 12673185.1700 9900240.1660 14126592.2100 10853997.7800 4627757.5500 15358080.7200 11543369.2300 10327150.5200 9084550.5240 14141612.2900 9549523.9610 9845725.3820 9131477.4640 12924615.9200 10786145.4900 10066512.9300 5807712.1990 9920099.5190 10983511.5000 10094349.0800 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_feature3 TG 48:1 8999761.0770 21711659.3000 8123181.2700 13088928.2500 12052179.5900 19694615.4300 8996773.5990 13309609.7900 20435516.4000 12261754.7000 946.3940 1345.8816 766.1116 1000.5773 836.9795 910.4985 14496735.2200 15072282.3900 14917916.6300 15975422.7600 14325599.7600 14813973.5400 14580882.2700 14731577.0800 15276720.9200 6721838.4710 7105348.4070 3556958.6870 3915764.2250 26908085.1000 15182525.1600 16175877.1200 17618483.0600 16816618.0100 24163176.0600 19111852.1900 17026024.0200 17172774.1400 11848076.2100 10983498.2400 21976688.1900 10353812.2000 17383572.8600 14836986.1900 20473361.0300 15360345.8000 20082315.6000 7875024.6790 10570952.2400 14872885.0100 11851483.5300 17770253.7400 13593057.7200 3966577.9910 17679754.1600 22893790.1300 10227830.4000 7804159.9100 13403650.6400 12659175.3300 11229708.4900 12623781.9700 19484382.0900 11262943.7700 8745445.2130 5390516.3720 7893978.1700 13172095.4200 8303477.4950 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_M+NH3_feature2 TG 48:1 91771.5916 70277.6036 64372.5834 62953.6967 56872.7977 68941.7526 72725.9882 45306.8071 73608.3069 83960.3192 94.0644 95.8054 102.0966 180.4722 178.7373 185.0111 67728.0289 62202.6261 66003.1525 60763.3383 63233.7161 62243.7879 66539.7030 62466.3762 68588.3935 61219.6135 61392.8437 24107.9357 34739.7843 64867.3078 60513.9251 63866.6340 46802.6549 70803.8171 77177.8817 75120.9606 80210.1986 69780.8128 97259.2516 67841.4333 85580.5991 36223.5620 62482.7518 66406.3637 57888.5500 100123.0886 68395.0770 63974.0152 66354.8937 65451.7012 66611.2557 67554.5430 47339.5495 36147.1010 71768.0810 72722.7915 81194.0690 58756.5981 42873.7175 113975.0529 56195.9602 81392.4503 127164.6830 37228.1552 64480.0394 50704.2982 56369.5796 53822.3009 62572.9753 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature3 TG 48:2 7964155.7910 22784324.5700 7062823.8120 12583220.2500 10298707.6400 21478805.0600 10640230.8600 14791647.7100 25726897.8600 10976321.8800 1063.7042 1261.2210 1088.9887 774.4430 506.0376 481.4065 19006231.7900 17913046.5900 19774175.6900 19173435.1500 17394794.6600 16814951 19671339.2100 17829763.9300 19781310.8000 8840467.6440 10252263.2700 3473990.5910 4002719.2480 28771049.3100 15696643.1500 16613597.5600 23332475.8700 24660167.6500 29940969.4400 33487979.9900 19077043.2900 19589091.0500 13374633.1700 8690076.7630 24875510.2500 8468713.0850 21247528.7400 17211416.0200 34597801.1100 14596608.9300 31893891.2600 8598593.9560 12223429.7700 19852804.0300 12099383.2200 19216383.4500 12232591.0400 3415000.3630 17098067.3000 28133263.9100 9681089.5490 7282718.9280 13474803.4200 11453549.3100 10805544.0900 13905783.3800 24433261.4400 12313883.9200 11524354.5100 5891461.3640 9210968.6030 20194331.0900 11022706.0300 TG(48:3)_M+NH3_feature1 TG 48:3 15241.1753 72539.5574 9342.3199 25895.4839 20835.0530 55816.5182 22587.9352 35105.5870 104063.0876 18910.2022 266.2666 265.0171 304.1916 181.1529 213.8804 222.5273 43580.1545 56364.0091 39043.5814 50484.1943 48269.1933 46197.4988 46679.2037 49849.3049 46210.3768 44018.4585 35715.0743 9389.9205 8154.4162 155064.5617 29664.0507 46840.1178 75178.1637 68400.9658 133345.3742 160721.0423 41817.0497 67969.6853 28159.9151 15893.1114 101602.2556 15639.8539 48921.2112 44248.1163 404307.7185 32270.9250 230176.9153 17155.1489 35548.6409 60133.7394 31550.8360 56790.5203 36067.5272 6769.5051 47857.7546 145681.7877 21532.1309 15791.8815 22230.6954 15812.2596 29893.7753 22853.6049 67452.1404 28883.8489 22783.4601 12991.0748 28178.8179 84105.9054 27481.6246 TG(48:3)_M+NH3_feature2 TG 48:3 1424087.9460 8121493.4960 966338.1851 3335527.2390 2453136.9970 7655185.5950 2403000.9710 3924351.5020 10364756.1300 2516439.8240 328.9042 321.4088 334.7266 319.1492 334.1802 334.0426 5161188.3900 4292753.9250 5043498.1210 4621241.2790 4833117.2770 5055346.4500 5030531.0910 5014204.1730 4458281.9720 2590235.9210 2465889.1260 585041.8016 665323.3449 15067027.8300 3888930.6810 5159824.9430 8285562.3620 8409489.4930 12658424.9500 10716110.6400 5848015.9350 6872266.8670 2908789.3050 2048721.8500 10166360.4700 1951160.0470 6082134.8140 4765011.2050 19912155.8300 3461323.2400 15397808.6900 1708380.2850 3093919.2810 5365432.5350 3045975.5300 6032180.8530 3887760.6950 545508.7293 5280030.3860 13105830.5900 2214073.7180 1365126.3870 2836935.8980 2035589.2730 3154056.3790 2948977.4780 6635688.9040 3403075.2610 2532040.7510 1100552.4080 2450898.3910 7694841.7980 2735681.1770 TG(49:0)>TG(16:0_16:0_17:0)_and_TG(15:0_16:0_18:0)_and_TG(14:0_16:0_19:0)_M+NH3_feature1 TG 49:0 499038.8412 1221791.7880 634598.6545 836970.1953 703020.7180 909106.3256 996422.4073 1388361.7650 1356139.3710 972549.6338 263.3548 581.8254 935.2059 616.1328 1209.3138 688.9965 1307600.4360 1386132.6300 1151243.2530 1298662.9700 1262381.8890 1215715.8660 1318330.8020 1431160.5220 1218657.9320 797939.8226 947933.8602 412961.3716 459568.9749 1259451.1760 818745.5926 939762.4238 1079714.3750 1210471.7630 1303420.5900 1153158.8420 1330905.0690 1286437.5830 1129714.4440 562577.5669 1427789.1460 589747.5337 1243963.6660 1194003.1410 860122.7092 1194230.6150 1032008.4370 746547.3374 1096229.8710 1038724.9290 809950.4135 1281180.2350 848483.7900 279658.2578 1269810.7880 1099393.3660 890332.5251 690626.4575 979021.0256 526356.8200 881792.6721 701413.0616 1083126.0020 905740.9056 1070637.9240 546897.4165 967395.4187 1127877.5000 1247506.9170 TG(49:1)>TG(15:0_16:0_18:0)_and_TG(16:0_16:0_17:1)_and_>TG(16:0_16:1_17:0)_M+NH3_feature1 TG 49:1 1132790.9660 4690344.7800 1267521.5770 2415251.4620 1827665.3590 8117927.1510 2916832.8640 4038556.2010 9017861.2970 2839912.1930 285.8866 410.2058 294.9776 279.0907 273.6928 291.0956 4652697.2590 4559889.9190 4456036.0260 4492001.9960 4473829.3180 4438910.9010 4691614.8790 4744930.1510 4400356.4530 2458060.1210 2317273.9990 739215.9354 744573.7742 9492212.5890 2286821.3030 3904084.7100 6737717.1960 6970611.5470 9798254.1250 7644844.5760 5327917.6190 5723724.7880 3354225.6990 1378406.4180 7049455.3800 1677809.3470 4886030.8410 4210571.8380 15743873.5900 3385909.4850 13346625.4100 1944208.1690 3501195.4640 3666470.6490 2128782.5670 3956126.2260 2560824.6630 447216.0303 4827563.6170 9583339.5220 2082148.2070 1506811.9280 2639693.0210 1298647.7840 2597038.8920 2095649.3580 4191379.0430 2841472.3490 3130145.4400 1277688.8600 3484002.8450 9167641.4490 3683127.7040 TG(49:2)_M+NH3_feature2 TG 49:2 201767.1764 914466.9665 21369.1938 319440.7486 313212.9090 973337.6770 396346.4030 824772.9872 164282.6231 427399.9456 326.1730 352.8629 263.0607 213.2466 205.4018 213.9596 1040420.9530 696653.5378 725778.6019 1041214.9650 682866.7930 706272.6142 1034398.1660 727165.9158 921792.8239 39475.1177 503475.5725 163553.5401 15534.6467 1865956.5230 325918.3667 595901.9628 1038900.8920 241137.6145 1470916.9360 1265380.7940 845782.4815 780539.2475 2968050.7930 180743.2477 1945382.2770 388149.4457 849329.2653 829857.1451 2735865.0840 444444.5910 2364863.7940 356885.1668 634264.1635 645617.5710 400483.7547 649022.6532 362171.5606 104640.7939 635464.5009 1904563.1740 406996.0062 273654.1713 542125.5991 258097.7051 469675.3579 471708.1700 518734.3830 523864.0540 615772.8109 17279.8753 489353.0181 137878.6787 67143.5532 TG(49:2)_M+NH3_feature3 TG 49:2 1108682.4650 4109833.6040 1067945.8400 2114741.7180 1880359.4570 6890338.3100 2922428.1190 4039212.6940 8303113.4170 2825987.2150 368.9584 301.9280 297.8258 383.1618 306.7363 332.2247 4291147.7260 4553280.6170 4617733.6410 4338916.0190 4523148.8760 4430898.6650 4519139.7710 4526919.4530 4339863.3680 3657971.8930 3400961.6160 910461.9313 1098277.5240 8466222.6620 2171267.5560 3034547.5170 6803343.2930 6573029.2730 8966413.7280 8610348.5570 4951142.0080 6258977.4960 3083237.9540 1138577.0970 5713491.5150 1331087.5050 4168319.6870 3530491.5080 16480856.7700 3061355.3000 13195417.5600 1926464.5920 3499636.2310 3591233.8950 2163854.8490 3763560.0980 2309731.4090 409566.0474 4282025.7250 9618656.0860 2067139.2050 1719536.6730 2267862.7950 1075973.5760 2388278.6250 2000924.5280 3986493.5620 2839079.3590 3292729.2010 1508390.6460 3382711.1030 10600959.1800 4414207.8660 TG(49:3)_M+NH3_feature2 TG 49:3 162069.5420 1209121.1360 205607.7875 421387.7263 311912.9759 1782308.8960 464254.2107 825556.6252 2333704.9660 534972.4469 318.9985 344.9617 352.0091 315.7193 356.9179 374.8736 964640.5791 945293.1094 1015671.8260 940382.2921 968195.1570 992989.1749 1128148.2660 965335.6197 863683.5231 654880.1929 705092.8039 133158.0707 127142.4894 2736040.1600 536760.9927 870971.8842 1759759.4880 1697924.2410 2463741.5930 2103841.4580 1204739.8130 1264166.8970 631184.9895 263074.7795 1516508.3530 283644.2407 970346.7259 858148.6750 4094241.6060 596509.4296 3343221.3900 371015.6072 689304.8065 936978.5361 459746.3520 1083201.9870 596884.5423 88345.1740 934181.6542 2639445.1990 326283.1317 220238.1719 456352.3070 213876.0244 537772.3728 513886.3503 871592.5143 518833.6635 612117.9724 199113.1335 580990.8328 1605920.0530 659630.4922 TG(49:4)_M+NH3_feature1 TG 49:4 25419.9890 158995.0093 20530.3279 64364.4555 42996.0222 162873.7745 63926.7032 74040.7867 268514.8484 54897.5556 398.2988 367.4307 379.5196 392.9359 404.0684 428.1542 116275.3304 115043.9694 120279.5041 121365.3208 113958.1802 118717.8132 117396.4903 116459.3288 117241.4174 98828.8051 99827.0640 27375.0908 30985.5699 307489.1888 53025.9997 104829.7646 217359.4674 176460.3140 306294.1871 287826.5099 119086.8060 153893.5949 69074.2501 36322.7335 209709.1068 37132.2695 105710.4121 97302.0324 786561.2773 69874.9899 509887.9094 42180.0244 85184.5823 127017.7410 73780.7399 134770.2040 80008.2062 14061.9967 90890.3115 293621.6020 56116.8393 34912.7000 31175.9026 20762.0414 66452.6903 51015.0840 133121.5982 71335.2289 64390.4072 24951.6640 71853.3713 208208.8471 78767.9247 TG(50:0)>TG(16:0_16:0_18:0)_M+NH3_feature3 TG 16:0_16:0_18:0 6365057.6610 11282947.8100 6792075.1350 8339530.9070 6828048.8290 6465838.7680 9002708.6130 11243151.9100 8161994.6670 8806085.0930 13571.1020 52302.8887 54583.3046 15740.5245 58264.5510 62727.6340 10197825.4400 10435743.5900 10443247.4900 10910484.6000 10231148.8400 11167331.0400 10573767.0900 10257437.8200 10130578.1800 6352916.8170 7403713.8750 4261695.6130 4413877.2380 7824311.8000 7960783.3680 9977333.0740 7661618.4050 9142773.5740 9842664.5890 8329864.1930 9659181.2630 9383256.2350 8646685.6050 6157684.9990 10457556.0800 5630792.9400 11021929.9700 9389997.0040 4736852.6490 9588014.4200 5841751.7830 6652602.8060 9323830.9920 9274445.8890 8301655.9450 10132021.7500 7144007.0040 3523597.2900 9631906.9120 7679377.2290 7902476.1860 6567865.5030 8550790.6690 6667325.0040 7591450.5080 6981519.3780 12110442.3800 8358435.2420 8593742.5300 5603401.2050 8719085.4690 8131102.5290 9205098.7750 TG(50:0)_M+NH3_feature1 TG 50:0 32721.3196 25913.9849 31382.7108 34623.1890 34922.6205 17277.0115 28133.9746 27038.8198 15654.7105 26853.7818 128.2509 125.3441 122.9492 188.0980 193.6765 198.1267 31197.7177 25078.6620 21312.7998 22640.3826 22175.8749 24808.2036 24190.1969 29243.8048 28099.7438 17841.5301 22827.8663 12904.2439 17840.9845 15550.3995 22326.9785 22921.1992 12177.3702 15912.4813 15694.4814 29714.5730 30422.2885 26259.4352 28632.2471 31415.6303 23352.4455 38053.7453 28059.4253 19407.0104 10222.6213 31273.1065 8632.2273 27827.3845 27630.8045 26492.9869 34240.0984 27956.4623 29935.7022 21377.6230 30633.5601 17149.4531 30817.2915 26488.6125 36282.5403 52259.1069 22034.1671 34050.7751 35217.4004 26911.6647 19115.2391 20095.8749 17162.2674 10447.1358 18609.8448 TG(50:1)>TG(16:0_16:0_18:1)_feature4 TG 16:0_16:0_18:1 43490434.6700 83832600.5000 45160429.1900 59370366.1100 55246809.9400 106474940.8000 63333265.0900 77193576.1100 107834911.1000 71160372.2200 3930.3987 3084.2880 2849.2021 5294.1414 3888.1121 5035.4263 80503537.2800 79142067.0200 76861569.0300 77958678.5600 77049644.1100 79563123.6300 76663609.9800 82124817.0600 78138415.6800 46591061.2500 48457170.7600 27044098.7500 28801467.7000 108267833.5000 73587516.7200 74820089.7400 89408098 98412014.7600 121775460.6000 92480122.9700 83224888.4500 94152712.1500 73773844.8500 49390306.4100 100565405.6000 52717648.1300 83806630.5300 76536953.5000 120245719.6000 78418666.4000 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12399173.6100 30521782.1700 9537924.8530 12330444.8600 22021654.4900 18208155.0200 27994733.8500 25019165.0900 3304453.5180 28215480.9200 35526631.5000 12232050.2500 8773490.0140 23637875.3300 14786092.6300 20777882.6300 18419666.8500 30173341.3500 20621406.8500 14650475.1100 9173509.2490 11157332.0500 30226403.0200 12255121.4500 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature3 TG 50:2 54671820.8600 108348519.8000 46359820.3700 72684727.2100 62265275.8700 132654477 85384899.8900 94488098.8200 149024124.5000 78638781.9300 1671.2848 1752.4475 1717.9872 3979.8155 1896.1322 2359.0713 96211945.8100 101025746.7000 97795998.6700 101817179.4000 104643009.7000 102875976.9000 94759405.6700 100987796.8000 97595073.1300 63981123.8500 68175130.5700 35295203.4600 39007154.8400 140630650.3000 70369500.1900 82962375.4600 114223561.3000 108986603.8000 152159562 146849602.9000 106319367 124052941.8000 88176004.5200 50119833.0500 116372722.5000 51533368.8300 95318032.6700 87817556.5500 194352592.2000 97461165.5900 168126823.1000 65872131.1400 92452992.8800 87823325.7500 65395651.1000 98104689.2800 68356017.3300 27544937.0100 109296729.5000 160098469.3000 74724760.9700 64892039.0600 72036770.5100 56287094.7100 68694914.8100 65643727.5600 101357319.5000 72375671.0600 83930525.4100 50861284.0200 92338658.1400 139566922.5000 84940203.4000 TG(50:3)_M+NH3_feature1 TG 50:3 158722.3913 345374.2670 91139.3150 259742.1400 177902.6091 302680.4489 198677.8591 278902.0299 401947.2650 208670.7277 114.1967 112.3590 117.8219 210.7915 229.2550 232.0717 331568.4512 284004.0294 288108.5313 303214.4530 212388.8880 289434.0408 321627.4780 317188.7946 316077.8645 180150.2617 216219.6952 57200.9942 85350.4111 492610.2677 309969.7721 289122.5439 291375.0259 377664.4025 882636.1138 402599.8586 311706.9361 247778.1213 259228.9701 168666.1779 480866.7258 202252.3749 266915.4830 286683.5215 436848.9881 279096.1191 157237.5342 146400.9927 189076.2740 239511.5089 242992.7423 326417.0560 225477.1774 49230.3737 296368.0464 382565.9978 172966.2928 138609.6177 196799.7405 180287.0925 213506.9005 220568.0814 448069.7788 256882.5909 205565.9858 105266.3088 168506.4018 432563.5336 197025.5900 TG(50:3)_M+NH3_feature2 TG 50:3 12475.6636 35033.1762 35419.8184 16392.9697 14100.3247 31426.6950 22168.4849 27851.1410 65753.2134 13370.7915 146.8286 142.8993 162.2303 150.1392 153.3365 150.0381 22402.5514 26738.9391 26321.8437 28600.8562 18701.0666 25707.0252 26812.4290 23901.7973 21687.2581 16447.8881 18418.6165 6762.3320 7336.3419 50928.2622 11661.0674 24480.8511 37599.3340 38428.5941 43373.6771 74493.4398 23253.6416 29466.3302 16671.3891 11600.2499 33218.5894 9097.2408 24259.8452 24064.3155 79221.0503 18742.6592 57469.3605 12891.1785 26531.2395 27458.6556 21110.1135 23599.5359 13855.7763 5768.3666 19048.9257 37332.1039 12791.1617 10759.1569 10575.1112 11942.6237 22654.9967 11228.5846 28686.6721 23063.1492 10446.4097 5262.5708 16690.5917 32307.2284 9229.2425 TG(50:3)_M+NH3_feature3 TG 50:3 23000705.6300 69301081.6600 19436385.2200 38605579.1400 32504699 76471967.1700 34495641.1800 49974709.2200 76811472.5600 38904540.3600 840.0451 838.1862 738.5051 623.3833 432.0107 413.9062 55229186.9300 54151574.5900 56732945.5100 56317406.5900 52429472.9400 54343382.2400 54766137.0300 56829652.4400 54877527.1300 30423006.9300 31396318.6800 10921943.2700 12922012.2600 90616306.3600 43729338.4600 55319477.7400 70476072.9200 77675371.9700 104163103.2000 80366439.9200 51904818.8800 71703907.9700 42544608.9400 28356648.7700 91244982.1100 25384374.0600 56914794.5700 57317806.3000 100774824.7000 46163484.9700 114669645.8000 25571468.4000 36765968.9100 56885691.5700 36393347.3600 56250508.3200 40749278.7300 9380087.8840 60532440.2800 103036027.4000 28584317.2000 22997557.4400 39270659.1700 24886221.8300 39471504.4500 35771538.0800 57965550.5200 40766917.0500 34561656.4000 18928875.1200 31490287.0100 74150180.9300 37420522.4800 TG(50:4)>TG(16:1_16:1_18:2)_feature1 TG 16:1_16:1_18:2 4431534.8480 21350549.0900 3337581.1320 8447362.2950 7731880.2230 21625937.8300 8707690.6710 12506790.8100 25746986.3200 8020651.5540 6150.5140 3306.5831 5815.6228 2709.8922 1362.8702 5354.0324 16210404.8700 12885439.0300 15347081.6800 14336683.5800 14131674.5800 15334399.7000 15372856.3600 15094055.5400 14101635.9800 11241066.6100 9894526.3370 3680669.3150 3241466.6860 34954547.3500 9902411.0740 13927547.5200 22013624.0300 24915733.0100 31739587.1800 31832198.0500 16499065.9600 19092425.5400 9383936.5250 6360647.6390 26184524.0500 5967979.7720 16190566.8900 13499123.6500 58060219.5400 9998392.0220 41570508.2900 6706398.7750 11230356.8700 15374226.6000 8409218.7180 16445327.4100 12496472.6300 2179153.3580 12780403.8500 39302421.1700 8675656.3870 5248525.2130 8354021.3770 5154770.6690 9433793.9930 8890990.0910 17231444.1300 10366392.0900 9762074.7160 4633552.6220 10027328.2300 26751252.2400 10893227.4100 TG(50:6)_M+NH3_feature2 TG 50:6 48763.8545 187103.1704 77048.8989 82144.6622 31472.6304 109573.9048 58302.3398 92157.0835 230135.4628 31270.4093 743.8496 660.8973 682.4592 566.7379 545.9508 633.1937 95566.0060 91610.4429 85725.4619 120488.2006 78083.7186 97958.5290 115681.7302 86391.4877 80613.2695 89272.3844 93120.2786 36038.4495 30533.9368 108538.5719 28284.8254 75820.5177 117223.6339 74747.3944 96817.4949 356300.5955 45459.0036 135105.6831 39582.5995 25347.6520 136591.4354 41762.6503 95501.5739 48740.1355 401514.6303 67445.4394 389159.4643 41127.3466 51068.6762 72363.3392 85523.2403 175723.5481 59063.0839 32163.6988 108309.4255 94285.6797 81285.2925 57275.4186 36667.2554 45222.7049 37511.2628 61478.3864 103244.5532 104073.3852 40130.5861 27286.5574 57002.4351 101201.8757 49442.3404 TG(51:0)>TG(16:0_17:0_18:0)_and_TG(16:0_16:0_19:0)_and_TG(15:0_17:0_19:0)_M+NH3_feature1 TG 51:0 293990.1544 538644.0858 313863.2144 352167.7822 295854.6171 388724.6096 564893.8022 693767.5333 669618.9302 477163.9487 259.0100 671.4172 310.4654 314.4566 469.4160 550.5426 708388.3066 712195.7009 713224.3549 732419.0257 677429.7134 732284.5543 752001.6696 728784.4022 672618.7035 369615.8396 434373.6502 204447.6619 203315.7557 561781.4216 211897.9271 520051.3396 461686.6883 708882.8559 665601.9428 646582.3040 566782.8649 611465.6559 526758.3198 253862.1038 635159.9200 228219.4968 698996.4090 600486.3672 469319.8319 461786.1269 608502.0476 350538.1405 649042.3755 582475.5615 430859.1919 649181.8870 388004.1518 115841.5089 502702.7139 602070.5676 458437.8488 302789.1596 458667.0604 297641.5206 479878.3873 376151.1412 755504.3293 509965.7527 671484.5250 321053.6992 655978.9685 667425.8926 762989.4498 TG(51:1)_M+NH3_feature1 TG 51:1 69365.9174 170943.1296 118809.3073 157143.8805 142796.0841 211591.2595 158466.5881 208142.3217 190149.6728 190466.7918 119.7495 126.1976 122.1601 235.6780 229.5247 256.4109 208712.1307 158422.6451 152542.1049 192532.3628 164384.6139 159776.6281 185669.3575 180619.9161 193512.8066 149036.2471 88779.6546 87362.3250 108837.3723 207586.2634 154705.9829 156419.2084 184673.2194 179454.2508 231830.2936 163892.8716 194055.2427 190325.2826 189312.8262 123913.7685 190311.9515 3195.0063 146007.5507 186641.5594 172753.9747 183533.0662 234503.9548 155547.9099 147694.8651 131278.3831 132406.1025 166587.1723 138161.9237 59095.3438 225591.2054 224805.6909 162507.0811 136219.8496 188422.4327 118908.3722 144850.5073 1906.4027 146616.9436 131177.8722 157962.2473 109515.3440 147702.6209 196542.3935 156489.3540 TG(51:1)_M+NH3_feature3 TG 51:1 2490939.8810 5847135.1290 2353072.7670 3739905.3360 2847880.4230 8130184.9010 3961876.4130 5697744.8680 10866558.6900 4707586.7420 235.1457 310.7560 224.5111 281.9135 251.1750 291.2421 5861239.2730 6085049.2470 5573685.1910 6036494.6710 5679107.7150 6313723.4170 5986226.8680 6511692.2730 5227625.5730 3870868.9820 4356132.1170 1660234.2710 1836257.1920 9623535.5340 3820615.3060 5444849.5490 8407996.6820 7696566.9760 10628386.1100 10252753.1900 6435251.2680 7334556.5920 5018576.9900 2338178.6720 7443890.8550 2481426.3960 6378202.3980 5786702.0970 16779285.7500 4428931.1960 14556661.9700 3242337.6480 5285156.3560 5208961.9630 3544294.7890 5923505.3300 3855150.8070 935222.7221 5392734.0180 10373875.4600 3528125.7810 2843808.1890 3765589.5220 2449708.1130 3965595.8360 3347935.5300 5850179.5980 4960281.3620 5218477.0610 2849917.1090 5220890.9240 10936385.5500 6207814.5200 TG(51:2)_M+NH3_feature3 TG 51:2 2098498.0090 8701743.9570 1974380.3080 3900788.0380 3010695.2900 11547739.8500 5000564.5450 6388188.3500 11210789.0700 5502411.5910 590.8803 614.4756 629.8483 568.5934 607.2040 601.6014 8190232.9580 8142258.4310 6428586.1980 8875288.3490 8577939.8900 8980100.4420 6908603.4010 7326345.6010 8518448.1710 4461481.1530 5039469.0970 1397194.0730 1501854.7700 17177342.3500 4572882.4850 5740511.0480 13631843.6500 13288931.9200 17251157.2700 10332069.2700 9446543.8940 8263086.2530 6100684.3200 2658441.0840 13419877.1700 3021017.8560 9102616.9610 8049369.4390 21674619.6800 5778852.7640 26522473.6600 3339457.9860 6753040.7160 5932186.4750 3635313.2410 8155569.2340 5015963.4900 814209.3555 8212969.6100 13579996.2500 3758887.5290 2825016.7580 3845790.4170 2319343.3110 3915501.4780 4234281.8200 7619655.1740 5424547.1450 6188074.1430 2691924.8240 6899055.0290 12190185.5100 7506506.3620 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature1 TG 51:3 26160.8027 77593.4742 14221.5693 43488.2397 36714.4895 85589.7808 33847.4173 51625.7027 98913.9266 46114.9511 144.0778 153.8720 160.7101 292.3124 272.7681 302.2997 63171.3721 65407.3677 62771.6148 59869.5638 60159.0731 55282.7412 64134.9069 61261.4066 70182.1308 41088.1965 42130.5898 14157.3211 14475.7975 107250.4625 52518.1596 66725.7846 78321.5111 78807.6819 110426.8391 54446.0758 70996.2180 67208.0489 48880.8275 24051.4422 94367.7754 32900.4361 67802.7487 65599.9045 52927.2328 48585.6125 91242.9832 31974.4338 42482.7199 57831.4874 21493.2373 72305.9739 45571.1812 9013.9865 58050.5671 93728.4433 28530.5762 25908.8468 45123.9581 17158.8294 41377.2054 44976.6226 32999.1406 49376.7310 39120.2026 20159.8088 38846.5403 62742.1313 38985.5389 TG(51:3)>TG(15:0_18:1_18:2)_and_TG(16:0_17:1_18:2)_and_TG(16:1_17:1_18:1)_M+NH3_feature3 TG 51:3 2401426.3980 7958928.9240 2199137.8690 4265103.3880 3534830.7410 14245960.6400 5728390.9470 7370887.5230 15699752 5231524.5220 873.4729 951.9848 926.1717 856.3618 836.0125 852.6227 8261240.8910 8582270.1720 8746455.9210 9358703.1250 8779372.3860 8354824.6080 9156141.0480 8352653.6720 8438761.9860 6367344.6740 6846160.9730 1978137.6580 2258932.0990 18497219.7800 4742936.5630 6286126.7270 13922096.5300 13008077.4600 16310951.6500 16112127.3800 10086966.1300 11162046.4900 6288470.8560 2745011.9330 12109168.8600 2906294.2320 9546459.0680 7774429.7190 33454623.9000 5871872.5840 27148523.6800 3958977.0190 6586706.0360 7242939.8310 4058314.7940 7721852.4590 4868874.7490 937949.3491 7287147.3540 19863027.1800 3764425.6740 3047955.9560 4526708.0400 2248274.8570 5096500.4600 4189306.1180 7858589.6210 5633220.4420 6348881.4700 2883405.8210 7124716.7670 17958873.4100 7927388.2440 TG(51:4)>TG(16:1_17:1_18:2)_and_TG(15:0_18:2_18:2)_and_TG(15:1_18:1_18:2)_feature1 TG 51:4 543181.2964 2222926.3420 566100.1572 1092406.7950 914922.8411 4190862.9540 1653626.5030 2319192.9710 5614719.1580 1400504.3840 658.6738 687.1451 746.7480 693.7516 708.9697 720.0061 2510016.2520 2779299.2390 2456477.4730 2826405.1060 2597321.3750 2466873.9940 2794155.9710 2811323.3640 2405727.6640 2476653.3550 2390781.6370 682880.2467 785590.3753 5815281.3520 1119373.0810 1723164.2510 4179533.4810 3940524.4960 4751829.1170 5796088.9790 2662120.1420 3167744.0180 1618776.6540 606196.2674 3973967.6250 765827.9197 2409722.6130 2241053.4970 13939480.0300 1554900.1300 10396339.6700 1133217.4970 1883822.5570 2284495.5110 1132563.9510 2182412.5530 1324513.9730 271928.3335 1881460.7370 7006045.5770 1261982.7940 813239.7803 1160324.6150 523174.9490 1383496.3640 1031778.4410 2465510.6750 1848576.3050 1822144.8080 845241.4235 2055458.0090 6392341.3710 2522818.5840 TG(52:0)>TG(16:0_16:0_20:0)_M+NH3_feature3 TG 16:0_16:0_20:0 1890123.6470 3447757.6440 2136454.3500 2224589.2970 1729962.9790 1995402.7630 2996180.9700 3423846.4390 2966963.0470 2651342.7420 6619.0900 22223.6711 29235.2266 7469.0405 35572.8101 37924.8143 3704900.2300 3964088.2590 3883941.0270 3884194.5850 3922723.8420 3969016.8010 3836558.9920 3874032.4660 3772824.8830 2050323.5310 2121597.6620 1125899.9380 1168063.2880 2423838.2120 2182662.6750 2950788.8920 2315371.8410 3453797.2960 3358330.7460 3647714.6670 2607960.9540 2788627.1310 2563239.1550 1661773.3190 3210067.0270 1263464.0250 3885866.4740 3580108.5490 1943312.2320 2342345.3150 2293049.0110 1669535.4560 3327261.5520 3175731.2080 2344789.6110 3552892.7630 2139260.4190 860615.2247 2635610.5600 2728176.2570 2266422.9660 1746758.6130 2357556.1960 2263479.0720 2801722.1020 2486502.6490 5046625.8280 3159858.5480 3201144.4610 1813518.4360 3549125.7380 3336049.7830 4233350.8040 TG(52:1)>TG(16:0_18:0_18:1)_and_TG(16:0_16:0_20:1)_feature3 TG 52:1 24616064.8600 43128305.1100 21857164.9800 31769267.0400 23982429.3900 62318340.8700 39231732.6300 42689875.4100 70358715.1300 35548766.5600 3298.1425 2406.6615 2695.1862 3654.2600 2849.4346 3172.0793 45135352.5700 42759773.2600 43823890.8800 42601097.9400 43829574.7100 44777812.0700 40260667.9300 46140532.2100 44094448.6000 29551006.5700 28656056.6400 14015795.0400 16322729.3600 54603448.9000 32845673.2200 38692832.6300 49841187.0100 47342177.6400 68299585.0800 75856451.9500 43446392.7300 44615660.4200 35574472.6600 20331695.8100 47748211.3400 19268246.4800 44894598.0400 41115537.7500 98255175.7500 34063288.4100 78507997.2300 26915743.6800 34310602.5000 40261853.2400 26803473.1400 39865936.1200 26238258.6300 11047055.9100 40092138.2700 64280741.6700 27180824.1600 22852508.2300 28973308.0900 26180297.9700 28956516.3400 28643336.8200 58860870.2000 36901289.3400 41060571.6900 24139173.0900 38972842.3200 74363900.2900 43448932.8800 TG(52:1)_M+NH3_feature1 TG 52:1 88954.7917 143706.2197 69141.5791 121831.6596 107299.0566 123954.6525 69582.9616 100155.9493 123475.4007 113036.8386 131.3631 128.4905 124.1380 213.0217 227.0555 231.8940 103719.4415 107893.4005 111125.0487 113853.2482 99327.8879 102521.3278 103410.2021 112600.2613 108532.4759 59379.3104 72796.0370 32605.3583 43071.6788 143168.6911 150812.7749 128648.9800 99441.9796 117870.9654 125715.8779 110037.3025 110408.4058 118542.1084 118710.8452 112899.8539 126823.8407 100072.5188 122332.6358 113851.3623 78533.3968 99805.2010 92536.3102 72677.9022 84929.8483 99707.7532 117852.1750 141846.3688 116449.2838 41557.1990 133636.2324 126530.3420 81920.2783 72675.0200 122419.9135 96769.2365 96530.7938 110486.4339 117336.6518 99113.7789 69724.5544 54467.5108 65679.3885 69577.3310 68287.2438 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_feature5 TG 52:2 24705028.5800 8060578.3120 25974591.5800 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84095798.1400 70095015.9300 146689570.5000 87580551.4000 98787889.2000 144144068.7000 122617983.1000 5543.9711 4958.3393 3419.4021 9756.5977 5335.0144 6129.4135 115205083.4000 104456333.3000 158409660.1000 133875102.2000 149815460 114450783.5000 113391710.7000 122343569.9000 128211955.3000 70934993.1400 85216812.2600 33501533.4100 44006394.5500 156625194.6000 111993753.9000 109648858.2000 143291621.7000 137948732.3000 155594202.5000 175235768.4000 115671362 123902218.4000 98665075.3300 87884550.6500 149508257.1000 95265998.0500 109020812.4000 115159429.6000 239454919.9000 92374277.1500 218799330.5000 68890775.2600 82516661.1600 109396989.5000 75368710.1900 111766400.9000 88531265.7900 31176431.6300 106497394.7000 149056258.8000 68642962.6700 56814669.2000 100309446.8000 62907766.6000 105667625.2000 76241743.6900 107103563.2000 88585843.1500 91815663.1900 66681960.5800 97104068.0900 159849590.3000 106175040.1000 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature1 TG 52:3 91837.0997 115577.5383 81784.0651 125942.3680 115705.8676 137272.6311 141989.2553 247618.5264 119244.2142 118937.0634 188.3415 199.1171 211.3547 249.2132 238.1917 228.1717 137226.0597 119963.1421 137819.2634 133371.5360 131989.5217 114693.9855 145354.3961 120978.4206 137823.9974 485150.2551 450882.1173 108165.8657 103062.3954 124685.3069 129826.9755 130101.3937 121557.6959 140631.2315 135646.6683 131354.0839 124501.3160 141831.1470 125772.7569 112603.6635 139319.3493 88195.1263 129630.6198 140277.2328 116184.4602 146796.8138 115561.5526 95204.3861 118794.6320 142121.0765 110552.2945 127882.6906 116840.0943 123595.9532 140548.3267 124661.0012 96442.0563 90236.7693 134746.1902 100161.8013 100364.9683 121380.4440 129950.9524 130599.8715 150427.4604 108849.4616 103926.1001 130500.6344 496189.4096 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature2 TG 52:3 1485075.8540 5692539.5970 1179465.3730 4823297.4300 2586074.7750 3945786.3880 146972.5503 251813.0239 4365655.6070 2087649.1520 131.5830 131.8905 127.0980 167.2356 161.1038 168.3548 3675892.9140 3224679.4610 3557844.5240 3235648.7890 3809454.6300 2783063.9630 3498818.9380 3339233.0320 3800600.6320 521911.9488 406486.4708 763714.4484 93257.7179 1884870.9480 3541845.2160 6020504.3540 5203782.2300 4398825.6560 5880036.2810 3886533.3410 3539282.3580 5293240.4330 2792289.4250 2414128.6680 5087993.5930 2473796.2140 4232770.9580 3607218.2270 2212358.4500 2204704.3270 5144257.8400 1303856.5800 1961941.0840 3625764.6930 2772393.4500 4013800.6910 3603129.9920 570656.1415 3812369.5150 3908507.5320 1810001.4070 1364517.2080 2848936.2600 1671599.4620 2792488.7220 2528186.9280 3219648.0740 2957311.3930 153675.4124 1343465.2250 1819564.9190 3513137.7690 499848.9243 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature3 TG 52:3 163601.5358 238271.8278 292318.5159 146222.5852 176905.5149 170521.0893 237819.8213 288504.7932 183169.0102 76033.4858 314.5659 329.0970 328.0493 403.0862 393.5646 418.4564 176573.7514 168019.2111 158369.3378 177618.9696 170008.3118 172460.7069 106026.3763 198137.0845 188649.0820 138876.7910 164709.6898 83887.6219 89098.1279 110726.0539 97275.4330 167167.4501 276811.3776 146392.3702 106511.5979 348058.7584 127558.0989 210680.4463 89143.1838 125203.2261 176153.7114 125877.1011 190162.1551 150697.7403 421348.6359 145314.8932 282697.3872 112854.5728 172432.6170 121691.2519 151603.1145 122662.1741 88789.7525 61199.8942 139165.7662 118675.8718 171890.0771 117362.6080 91719.9422 114893.3372 184277.0140 52806.4268 129524.1995 117752.6212 63029.6917 54734.6412 140267.7512 82281.2689 79746.2992 TG(52:3)>TG(16:0_18:1_18:2)_and_TG(16:1_18:1_18:1)_M+NH3_feature4 TG 52:3 7562047.7200 26401095.6400 6324131.6820 14730164.0800 10183903.2400 25612399.8400 671835.8153 9590728.0840 24787002.9100 13311454.9900 208.4886 185.8768 187.7464 226.3428 239.4354 242.6682 1677144.7820 18151522.0400 18690486.2000 12112702.0500 22137736.5500 1721848.5880 701335.3788 15884566.8200 18413509.5400 344943.1272 1482971.3450 341677.7818 842609.7533 38165966.5600 8182036.4620 23936309.8700 14934518.6900 16614924.8000 17937740.1500 19301021.1900 16261272.6600 16056005.0800 835203.7620 11705501.9100 32198363.5800 211464.8202 25264544.3800 20569433.7800 29615057.7400 1376456.8250 33275130.7900 9586801.2470 877102.3940 20687000.1300 7769911.3440 23849441.9100 2644178.0340 297446.7307 17414059.3200 18980960.5100 8997940.7630 552189.1719 359228.6414 8768314.1040 15220084.2800 1687683.9140 12077471.1300 1274402.2180 1311617.5860 6189021.6730 2836186.3140 14862246.2200 946858.9196 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature3 TG 16:0_18:1_18:2 88675746.7700 209285847.3000 91622661.6500 143426995 135009667.9000 273475177.9000 169645406.5000 184756871.9000 307180340.1000 165818277.1000 2485.1912 569.7973 484.3371 2588.1337 1401.9298 787.8300 199120244.3000 209272818.4000 206511780.4000 224242700.4000 210960383.9000 225382172.8000 218533498.9000 182273942.6000 211194166.9000 159381209.2000 170241353.8000 83051186.2700 86978574.9600 302166849 154947906 179959272.1000 254134589.3000 266027003.8000 299790830.1000 270124266.8000 222391636.7000 215191835.8000 189889333.5000 94086133.5900 257418419.7000 126402703.2000 223898705.1000 174910083 403774265.3000 182497345 356930875.3000 128657117.5000 201430298.5000 194574078.3000 124000380.2000 191753775.6000 173245554.1000 61326952.9300 179994899 325962186.9000 144593958.5000 116744707.9000 153290375.2000 101652238.6000 155273543.2000 159104838.6000 205765740.7000 186090118.1000 189560629.3000 122769856 219577419.6000 307243753.8000 216220641.6000 TG(52:4)>TG(16:0_16:0_20:4)_and_TG(16:1_18:1_18:2)_and_TG(16:0_18:1_18:2)_M+NH3_feature6 TG 52:4 3395910.8410 6056004.2820 5837198.1170 3197778.9360 4335548.5620 5830729.1280 5164142.3810 6026992.6380 8580730.8080 3261660.5280 543.2621 508.5311 502.8758 510.2308 503.8076 526.0686 4799543.5580 5085319.8980 4681772.7150 4950347.0170 4854706.6640 4719429.5740 4930018.2850 4871783.7910 4680519.1350 3816777.1900 3699611.9030 2212307.4080 1996674.7810 7027010.7690 3558014.4940 19780642.2900 6364489.6420 5617199.8220 6406834.1730 8323528.2090 4492741.0100 5571387.6670 4075321.3240 3984602.6800 6715237.5530 3768296.5100 5967385.7910 4982888.8020 12648740.0100 5110260.2490 7787649.6430 3156145.3640 5648580.5520 5070449.7040 4344575.5560 3821590.2310 3213421.0530 1792626.1280 4246916.3480 4809488.8790 4084809.4830 4061848.0400 3121096.1290 3197325.8610 3936310.5160 2405677.0040 4178266.2040 4051833.5130 3091390.6040 1199590.0390 3322786.5460 4570428.6300 3196007.5190 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature4 TG 16:1_18:1_18:2 8617157.7760 24207311.7800 6460236.7310 12597054.9800 11664255.4400 32534226.6700 15605168.8400 13535100.5000 40562479.6900 18473604.1000 207.3969 207.1726 203.5897 257.6921 187.6927 195.2209 26515508.2600 27507236.5800 24627434.1800 27060199.3700 16529879.7700 22784286.6800 28651845.7400 26951617.4900 26150668.5200 9045671.3130 12071683.9800 251448.4662 371056.5977 35251815.5600 18505209.3400 27351147.7000 42508860.9700 29217341.6700 54466874.8700 30731644.0100 19462182.2600 31408731.5200 1516161.4660 9184697.4050 41215672.3700 14938457.5700 23406189.9700 18744811.5500 42911701.7200 12532055.6500 37838572.6600 8693855.9680 16670666.2300 32578319.6900 20605013.7500 29052493.4800 25168375.6200 4030394.8710 28236706.8700 47423053.5300 14031388.7500 591941.2506 11935813.6200 8923122.1690 20776949.3600 18683615.4300 20043919.9700 13781933.7600 2245574.9510 7833085.0580 16827220.8800 35286610.4600 419942.1689 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 TG 16:1_18:1_18:2 49052592.2700 129409027.8000 42492807.2000 81868304.6300 67653612.5600 175095549.8000 86924077.6700 114404460.9000 198941963.9000 110691332.9000 1543.1334 1851.3747 1380.2541 2199.6111 645.1848 947.3023 127218496.7000 126360358.3000 143597570.5000 127860117.6000 132717469 133180682.6000 127542879.2000 131191701.2000 130314823.8000 101633867.7000 110847250.9000 43339281.9300 56265835.7000 206643251 82089885.1800 96810557.0400 166371322.7000 173852889.3000 196852886.2000 211298343.2000 131797248.5000 155040726.4000 100416348.9000 52479803.8400 155812737.4000 47250123.5900 126432639.5000 130244220 320320699.9000 97157347.4800 283019156.2000 70995060.6700 102974421.3000 112706739.3000 72947754.3800 109215419.6000 83426183.0600 23926982.9100 118519110.2000 239475623.5000 74979564.9300 62138594.0700 80254965.2700 42576235.8300 89988307.2000 66878761.5200 119346998 96979161.7000 108240141.7000 64985438.5400 118234065.5000 223506567.9000 132476126 TG(52:5)>TG(16:0_18:2_18:3)_feature4 TG 16:0_18:2_18:3 5246032.8460 15477368.5100 4653538.8340 7566078.4670 5912025.1610 20613998.3400 11626313.8800 13789139.4100 30745828.0500 8845686.1820 1266.5719 1445.9157 1540.9512 1293.7117 1601.4865 1650.2818 12601315.9600 12682099.3800 13149749.9400 12492215.3400 12428168.2200 12838492.8400 12882792.6300 12684517.7800 12643936.9700 12289523.3300 10173603.7000 4606901.1530 4596716.4710 27117600.7300 6865490.1910 9603212.7040 18051142.6000 19385795.4900 23658421.2700 31459120.3000 14675995.3600 15934640.4100 8676281.0490 3854022.2920 16687512.5900 3644887.0360 11285934.0600 12083818.6400 60503470.5900 7835684.2720 39981759.2100 5650120.2960 11781572.6500 12601266.7900 6998039.4260 14280248 8363580.7890 2494032.0820 14055141.2800 29855852.7100 8853058.4450 6696468.5850 8444004.3700 4563936.7370 8319056.6650 6371809.8060 12896075.4100 10482649.0400 8299366.8030 3633386.0290 12853264.5800 22979561.1600 9417601.1890 TG(52:5)>TG(16:1_18:2_18:2)_feature3 TG 16:1_18:2_18:2 3325186.7530 24612603.7900 3515600.0590 10774484.5200 8819238.4870 28974653.8400 7993773.0720 13949888.7800 32235221.1700 9573450.9570 2703.3615 2383.5258 1842.8975 1689.4911 1746.8499 2289.7620 18929618.2300 18048889.2600 18246186.8700 18239165.7400 18176019.5100 17047828.9100 18998822.0400 19070060.2100 18064082.3000 12493589.3800 15243036.5100 3688583.0880 3379394.9260 41564389.3600 13251958.1400 17122088.0700 31496228.2000 30801747.5300 41795049.8700 24546929.1400 21598137.0300 25340767.9100 12233209.3200 7435010.4630 29336098.2900 8285108.7850 22090289.5900 17164773.2300 58641716.8100 12060899.5400 51935709.9500 8311677.4730 11786731.4400 16961239.4800 9464771 18103571.3200 15202496.6000 2267477.0990 18888041.5500 45209827.1100 8268700.0770 5278070.9650 11902989.7500 5238429.0760 11069651.3200 9516576.7170 17318154.7700 12185114.4600 11360662.5900 5790481.5730 9058756.3050 28385631.6500 12690381.2600 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature1 TG 16:1_18:2_18:2 14061.9410 107167.7587 5869.5319 28824.4534 21058.6891 60006.2779 8502.1221 34853.0888 71794.2031 27394.4765 254.5699 250.5035 296.0840 335.6928 410.8249 431.7236 55983.9050 50193.5275 48496.1235 54120.4788 43319.9812 54854.4713 43930.9974 36797.3738 64609.6168 35564.4086 27276.6566 2363.3679 8602.3952 119234.4870 43600.0531 59553.4985 69240.0444 76646.6453 100984.7479 55630.4624 38092.1345 68043.2190 23428.3934 20833.2648 115330.4149 25297.1188 50510.5796 48276.4713 92072.9481 24346.4324 111444.8213 15885.8190 29975.3979 60998.5585 55389.3126 69901.7024 40455.7282 6165.8830 44505.0911 88311.6134 7072.0855 15443.1485 17942.9521 17802.9254 29476.3844 28280.5963 22240.4218 36437.1395 20050.9922 23035.8136 54129.1993 48879.1184 24843.0335 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(16:2_18:2_18:2)_M+NH3_feature2 TG 52:6 287571.4777 1914771.0710 738187.8076 872095.0687 572473.8589 1881344.9730 624901.5057 1108305.5860 3190884.3340 666450.5753 408.2078 378.5284 422.8072 460.4388 473.5443 512.7240 1200996.8750 1231043.8180 1372326.8570 1233187.9400 1268061.6880 1231696.8980 1216786.5250 1265548.1500 1256688.1370 1100703.6550 1296479.6310 283178.3169 411765.8793 4036824.7400 1134119.1490 1205491.2760 2407501.8090 1948313.1760 3279970.9390 2174176.0700 1240263.7490 1966929.0410 839746.5342 402569.0160 2667225.9720 366636.9930 1249962.2400 1226737.6780 7022074.3900 766266.2683 5282553.1920 387341.9562 513954.4148 1654722.2480 769879.3622 1560313.7400 1058058.8680 152486.7154 1149243.1540 3612750.6570 608135.1322 453778.8271 696175.1636 307640.8111 774341.5155 530193.5629 1065113.0970 974055.9898 600274.1189 283030.9812 665835.4698 2064527.9790 769856.7857 TG(52:6)_M+NH3_feature3 TG 52:6 360447.8037 1085053.4480 710605.3430 432391.9701 257660.8437 1041315.4710 448508.4149 592881.5733 1811161.0710 333503.1842 335.2985 317.7767 328.8041 296.9642 301.3004 296.1326 721662.6589 739735.9735 474151.8700 712155.2216 703468.8703 676911.5480 738572.3386 667845.0402 641536.2349 519984.3686 521072.9652 167987.7006 148005.6717 1778435.0500 328038.0920 635829.2404 1163289.6490 1072533.7760 1431154.5370 2946084.5400 684722.1691 980506.7891 406806.5278 260126.6242 1217975.9180 207684.0748 745555.1281 421879.5006 4988731.9560 372898.5048 2073259.8500 260155.2979 967240.1160 782810.5888 777874.7499 805510.2407 510998.8270 130192.5605 638145.1406 1878275.8880 386060.0585 281783.1669 314434.7668 387726.9709 520388.4044 410688.8899 1453129.8990 519750.7668 309732.5416 137195.2094 439267.9608 993184.5349 400283.9357 TG(52:7)_M+NH3_feature1 TG 52:7 50926.6168 113673.5921 66318.2351 90796.9666 42431.2613 104535.5952 78567.1358 85438.4684 142633.0812 64737.7949 237.0747 171.4448 184.7484 240.3421 233.0680 272.1186 82136.8143 83768.8707 83199.1280 92233.5299 82285.6008 83504.9396 86166.2636 82349.6663 83174.1191 115106.1332 136034.9337 68380.6574 68303.5367 181284.6003 62690.3564 69918.2203 111670.5388 96680.7583 159798.2034 193693.9788 141514.2063 184494.1429 76057.2190 63555.8660 112368.3062 68424.8041 83640.4017 78693.8075 184666.4945 52298.9449 218658.4722 54061.0478 64025.2371 101374.8804 102794.0133 112703.2565 91984.0929 53082.7059 74200.3015 107876.8654 69071.3401 67107.2708 76463.5851 45456.6055 58682.9083 44498.3916 115312.0037 52649.1115 48410.7733 49220.7230 87335.0532 80757.2255 72562.2510 TG(52:7)_M+NH3_feature2 TG 52:7 73744.8331 217383.9049 123957.9887 130725.7736 83479.0378 192983.9302 105602.4814 148717.7494 384922.4202 73109.5523 373.0937 391.2615 369.9840 385.7795 453.3323 602.4013 161080.3024 176222.0681 154100.0496 156328.1784 156914.3256 160046.1707 176164.4444 162760.0763 159185.7666 141502.3565 173515.2502 49707.0579 59661.7837 360538.2427 94834.5471 154088.4021 320303.9786 195842.1741 294072.3087 488325.5731 131237.4421 215046.3715 109109.3169 64117.2622 266551.2549 32786.9610 147134.5021 149407.6550 901560.5754 92421.9980 517916.8272 59263.0763 124201.6500 240338.4295 101920.1468 205722.8981 113026.2467 40026.9339 139893.7376 357585.0612 91767.3699 79114.2980 64887.9248 73580.4354 126327.8101 80174.5201 283321.6266 158727.3096 73407.5033 46528.2096 84214.6249 173703.4033 102529.8637 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature3 TG 53:1 1084413.9800 2349034.2430 861866.5259 1429866.5720 1079330.7930 3533307.2660 2106208.3460 2482867.4970 4563302.3810 1927730.5930 276.9599 275.3891 284.0723 259.0892 262.2549 261.9946 2581069.5290 2803824.7540 2766869.8560 2849851.9500 2600600.3940 2797899.6700 2612648.4490 2737259.9450 2738913.1880 1821504.5320 1746231.4080 717626.8220 665366.4112 4223322.5960 1417114.8070 2051423.0420 2979072.7830 4214314.7630 3916886.6550 5292061.8440 2387089.6730 2708718.6460 1851397.7540 854052.5579 3098498.7180 767854.8874 2693450.6500 2404423.1450 9478698.7020 1530913.4200 3849958.7430 1341283.0020 2472432.5650 2306559.9160 1404408.9230 2387035.8600 1504755.9380 398699.9378 1091898.2290 4908849.0950 1515223.1110 961954.1925 1533473.6500 1132500.2340 1803416.8730 1683316.2030 3454192.1460 2165289.2020 2691594.0960 1532585.9320 2984901.7130 5803559.9660 3383681.5710 TG(53:2)_M+NH3_feature3 TG 53:2 3487964.0620 7413268.6440 2696966.8120 4990883.7210 3715799.1790 12979502.4800 6535361.6000 7522116.4470 14499369.2700 6275819.6730 316.6370 331.6921 339.2476 358.0833 327.2318 356.5850 8851295.2880 8787340.0230 8746860.0770 9093761.6170 8647891.6360 9307304.1170 8725707.6490 8889564.2680 8708588.4420 6144337.0190 7193032.4850 2327977.5510 2751540.7880 13690170.6500 5373454.0900 6905358.2280 12053257.7400 12200691.5600 12917528.8900 17184380.7200 7798107.9920 9490512.9520 6761734.2380 2834438.1250 10258994.5700 1782009.7980 5397146.7550 8843856.7570 28195625 5155734.6340 23235272.5700 4609029.9610 4209624.2830 7629311.8080 4833100.5650 8203010.7620 5350965.2470 1441107.2110 7167829.9830 14547061.1000 4978616.9720 3517151.0970 4596132.4640 3006235.4230 5781431.4470 4754389.6770 9538039.8810 7039533.6840 8071234.9880 4963859.2950 9117623.3690 16861883.9800 10703856.1200 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature1 TG 53:3 119252.9711 259825.4399 142797.1873 197755.1610 148260.6865 296243.0106 243360.7970 171008.8750 459190.1831 99365.0653 1216.9658 1612.9497 1024.1993 790.7023 562.2954 616.6019 294312.6529 169278.1051 263508.2992 306086.6946 175879.3118 279294.0833 259789.6583 237072.1851 246340.9038 235532.7823 144885.9821 80492.0554 86542.5071 370853.0517 174685.6506 219839.4111 471152.1267 250290.3375 436654.8736 570643.8836 279483.0866 301546.7937 140159.9109 113975.0484 400727.2969 110898.8014 197840.4760 240430.1356 890463.1855 168433.0533 609559.9949 84692.3594 266566.2492 250442.4490 195051.2080 139315.1091 101095.3519 96666.6273 254469.1571 355945.6323 148427.2640 151914.9218 85637.9005 137999.0976 117476.1583 176512.2921 246203.3476 205330.2710 202722.3242 74873.3758 221568.6360 194526.1864 152126.5789 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature2 TG 53:3 21607.0353 175392.6214 23003.6854 63182.3913 54169.9750 327356.8951 9966.8480 113486.3596 533893.0469 69013.4871 117.7269 121.2582 118.6129 112.2634 104.8122 107.1672 146556.4482 163329.0209 203789.8846 157891.7553 169620.9018 139834.3675 163292.8644 177488.4073 163716.9511 111914.6819 117289.2540 21398.0385 21978.5947 476942.9180 65411.1135 121236.1968 328990.0144 353973.8470 414033.3524 366306.1165 149584.4101 218562.7193 95491.4077 29892.1250 308732.6841 39383.8939 160240.6679 130375.8033 1052912.6550 74045.0090 626299.3015 55237.2069 104722.3233 164938.8498 62953.9304 147699.3670 89218.5049 6620.9552 108599.4638 377131.4649 41041.3728 29500.2790 49788.6177 29029.3011 66024.0788 52568.5467 106449.6887 92698.5597 120051.5600 4362.3781 132261.5985 658458.0061 4960.6049 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature3 TG 53:3 286183.3054 413454.3485 212931.1078 350969.4091 329814.9423 523127.7864 360088.9398 444262.1482 518557.6523 434588.0392 164.3910 173.3334 170.2066 328.7324 394.4732 345.3557 513691.8129 484118.7892 543229.3635 613137.3927 502844.7820 424324.6244 478962.1980 477692.5604 624036.9536 427668.0615 555119.0089 235409.8186 328410.0905 832886.3507 493154.9111 508322.5792 500804.5447 449698.8379 474086.4747 502986.0007 627128.7515 525604.7008 565128.1484 282444.7142 534422.5680 316173.8511 567692.3423 434534.6602 99161.0048 498665.2835 607721.9548 346989.0301 352883.7832 458458.6333 306276.4197 506063.9481 422390.1019 113869.1755 432388.2881 742854.1513 354649.3075 332924.8033 459975.8778 238993.5754 413459.2511 328936.5514 426442.4898 370697.4127 489652.7358 335820.8746 498466.6731 523076.6103 447247.0391 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature4 TG 53:3 53362.7809 70746.0238 74465.7389 47033.7338 51750.3163 23283.3531 72382.0972 72546.3155 124331.6814 49415.5563 125.3417 121.8916 118.9652 98.3661 100.2324 101.4666 23393.7622 91635.2638 92739.1192 94428.9128 77893.8025 76509.7004 68069.4214 78103.7075 113475.6241 86443.2906 69148.1741 45964.5751 45483.5102 28984.8711 54251.6705 56128.9465 87781.0459 21819.1173 26080.0146 93150.7038 17455.8089 104673.3193 72174.4032 47529.4535 90121.7987 14562.9060 16045.1650 67687.5273 143425.5867 76356.6863 111783.8273 61270.0600 68106.6907 58063.6194 48899.8159 80696.0326 88330.6067 34317.8453 50612.3690 18818.2183 70672.0906 42315.4699 46264.3541 43698.0512 42337.7945 51429.8392 88951.1128 67815.5385 63330.7026 59192.0308 99895.1439 23225.8192 56339.8630 TG(53:3)>TG(17:0_18:1_18:2)_and_TG(17:1_18:1_18:1)_and_TG(16:1_18:1_19:1)_and_TG(16:0_18:1_19:2)_M+NH3_feature5 TG 53:3 727015.7653 3354915.1170 535559.1964 1333356.5630 1176982.8500 4165443.5960 1847387.0760 2291041.0500 4253520.0560 1933644.1410 570.1972 375.4414 400.2613 335.2328 339.3609 339.0895 3286067.8480 3006762.6300 2890084.3150 2717605.8480 2368659.7170 3045955.9390 3226973.8180 3490205.4520 2635004.4870 2138299.0050 1800047.1070 639846.9327 609708.0871 5441196.9510 2002379.1860 3366996.9320 3864608.0080 4817572.6790 5110807.6360 5534172.3830 3668880.5570 2816637.5310 2002382.5700 1160523.9040 4872853.8490 913298.6923 3384771.1850 2252981.6910 9145576.2490 1846134.3240 6878782.1090 1343947.8100 1977885.7700 2189291.7100 1258883.1820 2597610.3500 2414283.4290 318515.6568 2863716.4370 6565574.0500 1250754.0360 899808.2579 1427110.9780 757348.0103 2245901.5200 1896894.3420 2389203.3500 1867596.8560 2239150.2370 1124288.6490 2330474.7810 6054938.7520 2684024.2660 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature1 TG 53:4 61093.8497 145084.5622 50891.7128 112351.9022 74481.1263 273988.2000 165311.5754 136623.9907 303535.6783 134412.8807 213.6146 216.0866 235.4176 423.8288 438.5188 465.5849 218343.6896 203061.6227 222579.7602 233451.1575 184958.6369 241170.6597 154393.5686 240358.3326 231659.9491 261867.8545 327185.0977 54496.7566 73839.1660 249700.0087 102403.2364 156326.9590 262385.5658 269223.5091 266716.0452 292592.3814 237409.5449 269999.9119 212152.0560 57579.0209 218786.7927 64991.9533 157249.0307 170625.3831 351747.8548 119719.2048 326048.3393 111687.3637 177129.5480 150176.1753 105205.2398 161829.8575 113632.2924 32761.3540 100480.7314 381640.4652 110147.2095 78273.8766 110208.3510 42788.7565 129852.1706 99794.4205 160610.0910 140792.8461 201672.6914 113037.9463 206753.4876 401068.8327 283982.6149 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature2 TG 53:4 1401008.7130 5942346.5390 873979.5722 3237371.7090 1457522.0220 9020593.5640 2425047.4050 4024907.3290 10998173.1600 2299630.2600 324.1429 351.5795 313.0483 348.8524 396.1291 342.6580 4504206.6440 4056396.2120 3522419.4420 4093635.0320 3632038.7180 4505067.6810 5138735.1270 3873592.8300 3597436.9110 3075916.8300 3182084.8000 1661308.6620 1178176.6660 10056557.9000 2330154.9800 4266333.8220 8826447.4410 5777456.0710 7678474.3960 6737899.9610 3889179.9680 4990806.0240 2623760.1610 1016108.3820 6156255.3330 1615728.5870 4300221.3070 3609031.6140 12480246.1500 2949163.0260 12504849.6500 1466675.8980 3760908.0980 3362061.8650 2609622.5710 4361469.4480 2989053.7020 326204.2389 3240961.8330 8494206.6810 1870812.0900 1655743.5720 2005309.4250 1391077.8850 2286376.0860 1993652.7770 3431552.7570 2638869.1610 2723384.5490 1137860.6750 3671982.6040 8481337.5120 3574654.2150 TG(53:5)>TG(17:1_18:2_18:2)_feature1 TG 17:1_18:2_18:2 289434.8818 1467293.6060 322479.8250 672801.4869 650597.9378 2712902.5570 1031749.5150 1162413.6370 3464442.6030 807422.4429 511.9917 530.2190 551.1170 515.3157 526.3539 551.5867 1588911.7540 1687313.8700 1631895.0550 1764960.2350 1603063.8020 1660065.8990 1649314.1970 1687514.7480 1609817.6450 1266756.1800 1486854.9280 340689.1550 467586.3702 3808360.4200 686750.1477 1191512.6960 2921119.0900 2808482.3130 3528515.5640 3548635.0970 1745047.3280 2065413.2030 1078971.5730 349937.8932 2304038.6690 379368.2279 1619467.6200 1567398.4760 8554463.0780 947333.5038 6251937.9700 609327.9743 1245970.3230 1515579.8680 783943.0516 1489161.4760 1004482.1370 144523.4467 1343321.0920 4161471.9120 649058.8967 440145.4852 710099.8251 276218.6058 951072.7729 721071.9313 1424422.4550 1026468.0990 1167036.7940 386364.7709 1323091.9640 3901405.7160 1414358.8830 TG(53:5)>TG(17:1_18:2_18:2)_M+NH3_feature2 TG 17:1_18:2_18:2 85000.1391 126700.0977 103542.5237 113232.2942 29429.5725 121845.7865 73930.6627 145091.9011 176732.8800 87760.0663 1309.6325 1579.1474 1183.2748 1534.6034 924.9081 960.0797 116884.6014 93475.8890 116329.8428 103730.1550 110544.8113 134076.2664 76081.4860 90991.5397 134192.8840 11130.4902 128493.1818 43637.3571 15470.1784 23548.4151 94796.2982 109576.2460 156554.3118 94433.0174 136313.4155 203439.3545 114558.7055 171391.1957 88120.7550 55172.3434 138579.3720 49668.4449 72831.8643 105262.3068 316188.9693 62547.2452 199591.1353 66757.1058 71005.9290 131069.5930 53136.4571 99162.2371 58933.2267 37689.7379 92372.8869 112934.6787 56696.6065 113692.0923 29165.3452 62780.5388 24942.3790 59661.8915 152590.4337 102327.6516 68582.2939 45719.9179 42252.1845 117371.1830 55417.9162 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature1 TG 53:6 21606.4384 121769.3589 31674.5432 8075.5306 47022.9377 206344.3235 56449.5223 113863.6028 332430.4344 52291.4952 507.4319 494.6290 513.8406 413.4250 430.7322 436.0347 132745.0582 127314.5564 126604.4290 88757.4937 131459.7766 110575.0427 113407.4747 174384.2803 99241.0785 126695.4365 111829.2727 33578.8719 35646.6421 359112.4504 58240.3332 83203.7511 225294.2177 203326.0564 304719.2894 298000.2421 82916.7915 190929.6549 64439.3592 31709.0159 164053.9731 26762.1320 140347.1126 106614.8201 1026638.3770 58268.4423 572266.4194 43622.0592 98811.2567 114273.8484 67123.0099 133873.7810 79364.4746 12639.6790 100161.4652 434319.0734 60904.7171 30018.2408 52567.7499 28894.7661 217834.3352 49490.3710 139960.0843 83388.8736 68206.5767 31284.5755 98607.6268 278418.0381 94871.2670 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 TG 53:6 63847.2121 170263.6658 82935.4935 98806.1994 82990.8072 152390.0773 188727.6989 207331.9646 253706.4768 112149.2495 784.4330 880.8587 941.0719 579.0476 759.3570 785.1523 161126.3989 161680.4181 147154.9254 171345.6749 130135.1080 135240.4991 137217.6213 223735.2402 130999.9681 240841.6395 188145.1946 126459.7546 102881.9259 222431.7621 102857.1129 99850.2505 175691.7449 168808.6933 180092.3104 281561.9511 102660.0462 161381.7259 161591.1534 68354.2315 156497.9046 74421.6184 138676.5758 147859.0746 642870.7552 125841.6636 249489.2617 139386.6162 153645.0043 117895.5045 104325.8228 125145.9237 95879.0807 61737.8645 130946.3458 301961.1929 121383.5812 108681.7278 110374.3549 60604.8970 101252.1196 92744.4927 152979.9930 119040.5230 137916.6078 105307.1010 196783.1545 161645.6087 178994.8827 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_feature3 TG 54:1 6333458.2680 10800878.1800 4816052.1520 6830854.0760 4952565.7770 8701303.7800 9009198.6320 5407692.8210 15785746.8800 7519186.1570 1543.4463 1087.3300 1112.3080 1228.9103 1566.8052 1236.9591 11591614.4700 12840790.6800 12555368.2600 12379000.6600 11639063.9700 12585144.7800 12659210.6600 12405228.6600 11824184.1700 7494896.0850 7738714.6900 3025192.6830 3158468.8760 17307360.5300 6721283.7300 9224229.5490 12061441.2700 17392207.8200 15355743.4000 26873003.5500 9427896.1440 10479515.3600 8150328.5060 4261436.5420 13016650.6300 3419625.0260 12725808.5900 11644796.7400 37443736.3300 5791582.1900 27326523.0800 4909043.3920 11022534.2700 10043271.5700 6411745.1310 11396356.6300 6702326.4720 1884912.9870 4566000.7210 21041995.3600 6450345.8350 4625529.2690 6658256.1980 6638894.9660 8356030.6620 7721940.1660 18787604.9500 10037183.0100 12652330.4300 6585245.9570 12857483.8400 25425794.9300 13802872.7500 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH3_feature2 TG 54:1 7280931.3860 11004865.7800 5745425.4540 8445340.8480 7365877.8320 12170021.7400 7387178.2010 9598076 16189934.4100 8366179.1780 461.0228 575.8633 678.4250 490.6225 588.8094 481.8534 12547704.1200 13544359.2800 11921317.7600 12209114.7700 12618416.6800 13248494.1000 12243227.2200 12742122.0500 12769312.5700 9119481.6140 12502367.9900 5389455.9770 5647559.6260 10151487.7400 7737582.7050 9384526.9320 15832956.8600 15247125.0600 14722979.8900 13788559.5600 9625707.8390 12267717.2100 9222814.1620 6056595.5600 13550234.7100 4750648.3880 11257375.6300 11840865.7600 18863245.8600 6274353.4490 13589810.3300 7893030.7370 12197456.4800 8136183.4760 4790184.9170 11765397.6100 9626421.6200 4117806.4630 9057723.7220 15986908.8300 7559538.4030 5477256.0400 4565705.1190 6650506.5820 12758767.2400 9246037.6860 17178929.7600 12672607.9900 12792968.9200 7928994.3720 14828066.6900 25083545.8100 13282740.0800 TG(54:1)>TG(18:0_18:0_18:1)_and_TG(16:1_18:0_20:0)_and_TG(16:0_18:0_20:1)_M+NH5_feature1 TG 54:1 302021.9421 214088.2594 236840.5769 274412.6991 259303.8958 172733.0942 219377.6313 194458.8530 178227.3663 290825.5349 151.6414 138.6066 154.4850 238.2594 243.7475 258.0825 227534.2922 263368.6841 185950.6950 220229.2697 219097.8638 264974.2482 228103.4359 215478.8021 232979.9436 257237.8816 266910.2970 213093.5004 245731.6476 143085.2016 306550.2108 226839.7033 202395.4682 173621.6153 182808.9088 259605.0575 244343.5885 218257.3585 303629.0152 245927.5208 224548.7760 253141.6089 191957.1368 233523.8362 213674.0674 265566.3644 83481.5473 277590.5677 249833.6359 246671.5399 258946.3439 230716.1770 267979.8913 214559.7853 219143.8703 169456.7548 285252.8618 236754.1145 285892.5220 267926.1758 261663.8491 252335.3298 231061.9956 222846.9693 234366.3155 255784.6605 237194.6609 131643.0077 205980.8607 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_feature3 TG 54:2 31306845.9500 50657779.9200 24124533.9700 39151589.9800 26976914.8400 77544663.2400 44327558.8400 51615812.8600 87566208.9000 43640526.8500 2468.3088 1402.5984 1353.3719 3134.8540 2336.5032 2604.4238 53645117.7600 52776877.3900 52916951.3600 55143680.9200 57167239.1100 59569234.7900 63880651.8600 32721071.4100 60117044.1800 41623896.7700 51519586.4800 18254920.9400 24259598.2200 81199003.6900 40124183.0300 49130843.6200 69902838.1800 73698457.6100 73111482.0300 105565430.2000 51373357.7400 53088750.3200 43761736.3600 23238602.6800 61662828.8700 21688886.3300 54611361.7000 58661111.4200 74152474.7200 37964887.8200 123962009.6000 30907463.8300 49739051.9400 55496291.8500 34118012.8800 44014740.6700 34169052.4300 12587726.8000 44074479.4900 79814058.9700 30986541.3200 25445906.7600 32501938.8100 26677308.2700 40652131.6000 36074909.3800 75060384.2900 49803141.6500 52301627.4000 35416442.2000 52499818.1100 106246128 64777993.4000 TG(54:3)>TG(18:0_18:1_18:2)_and_TG(18:1/18:1/18:1)_and_TG(16:0_18:2_20:1)_M+NH3_feature9 TG 54:3 37999968.9800 41672807.2900 29247002.4400 44627010.6800 36769590.3300 84564813.9400 71394915.9300 76605872.8400 115849339.6000 50414661.0900 1783.0740 1165.8680 5199.5234 1543.5897 1009.6262 3818.0320 52743393.8200 57165042.8700 55084412.9600 85548884.0400 74297454.4500 68828523.3900 70856323.5000 73874658.2700 41771253.5000 85542354.2500 66745411.3600 45001979.2700 32904594.0700 98804947.0100 32590604.9400 35528576.5000 56435834.9200 82827586.9400 98637038.8700 126813680.2000 73128073.4700 79332091.3400 50907158.3200 28034077.7700 48172938.7700 31104449.0500 94498356.2300 53048390.5600 200016662.2000 41444681.5800 99980655.6800 58235377.6900 101548637.9000 61139938.4700 39168556.3600 60831617.2900 49759687.5000 20066326.0800 40939576.7000 126662135.4000 58768127.5400 34095006.9000 27525965.8800 43391126.3900 29669790.8000 43302426.6600 75703211.3400 89558374.6300 87837515.1500 50117348.7300 121558065.2000 131682022.2000 93257751.5600 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature3 TG 18:1/18:1/18:1 44280.8738 154110.4982 30814.5361 102336.2662 31061.6146 158630.7985 30570.1260 102669.1821 180234.7392 85679.4999 148.5641 157.1907 114.9917 218.6837 209.5413 201.2447 114863.1142 124831.3190 123052.8501 124048.1855 125581.2746 109354.2227 123461.0682 126149.2480 116855.4719 53422.3586 58507.4617 7224.8692 17621.1617 177166.4629 98151.7646 134504.0957 42165.9074 157213.2265 201474.4768 152720.7476 133280.8723 148954.1743 93225.2657 21931.0363 150763.0863 49123.8492 131195.8269 131850.0479 188352.3648 99109.9455 217552.5827 21396.4914 78740.7330 118697.4659 78271.2599 137340.0915 40707.4918 5510.3883 119327.9988 195132.3017 60484.1521 37328.3420 90068.4151 44955.5043 75122.5338 79308.6719 116385.1222 85367.3630 71188.7639 28121.7037 24756.0666 118001.3472 75062.8437 TG(54:3)>TG(18:1/18:1/18:1)_M+NH3_feature5 TG 18:1/18:1/18:1 287237.2808 1194049.9260 117511.9957 636115.6016 386869.7008 1051424.0190 112064.2107 347952.3395 710842.5169 610034.8002 81.7827 108.7035 76.5975 157.9468 124.5338 132.7027 700247.6399 778524.4988 902693.5494 653453.9674 681509.2663 737918.6459 766767.6598 785261.7273 758857.4066 324555.4599 315378.9576 142058.0673 130450.1523 1425504.9960 1227732.0380 1183480.5720 1126477.2450 1102308.3030 1185309.4740 447947.7946 918935.7118 659983.6973 528840.4060 735792.9313 1438904.0090 683435.3651 1046378.2240 1048750.2910 620427.9880 641476.8131 903816.4550 340417.8124 238516.5340 876402.5405 326535.6346 1097430.0100 814739.5530 99706.2029 999461.6327 1199206.5380 242910.7251 290220.7226 736969.7788 207348.3327 612601.9656 719047.8585 627502.2114 552073.3632 355825.3204 213957.8533 298281.3191 926064.0526 353994.5359 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 TG 18:1_18:1_18:2 71433908.8200 74220702.7700 62115229.6800 101866427.6000 94587034.1600 163050240.8000 99554104.9700 104585119.1000 173498931.7000 880328.2696 3599.8315 747.7590 693.2470 3049.3311 813.9801 1484.2895 147115629.2000 149245338.1000 129580317.4000 178835858.9000 162977263.5000 84889660.3700 165217190.9000 166041560.2000 141664538.1000 110201516.6000 126970478.2000 19221349.9900 78072152.0900 229521144.6000 71619594.0800 144114204.2000 216125681.2000 209144311.7000 154911098.8000 154147873 113575093.2000 165846059.4000 124818281.2000 73514159.3500 154305738.6000 84344932.1000 148397841.9000 146538746.2000 250213455.1000 112867873.3000 221529794.7000 97144144.7300 109668251.4000 161352160 106779111.2000 94231259.3400 121338322.9000 40817415.5200 140407442.6000 190423323.9000 99149636.3900 83868626.1800 89600088.7900 66152799.8000 139016211.6000 34252060.4200 115140282.7000 146496672.4000 124650254.6000 110698878.2000 186920577.6000 229579118.7000 196404023.4000 TG(54:4)_M+NH3_feature6 TG 54:4 1472279.1640 1373418.3450 3111387.9570 1188916.5940 1942545.5660 2194020.3810 2346589.4760 1521562.3660 3151385.6580 955733.6111 399.0402 406.6948 432.3536 440.4274 449.7502 443.7876 1355298.3590 1352139.0630 1433416.2070 1344519.6420 2134961.0700 2007924.8350 1338110.2240 1254975.6790 1230961.8730 1177056.3870 2006267.7070 1108022.0030 800788.8412 1968343.3100 972847.9391 2175442.9130 2324916.8030 2035686.7050 1576495.2160 3788761.3690 1260600.5340 1658692.2730 1262162.6480 1430939.2030 727573.0470 944769.2051 1530511.5180 1533137.5380 3081352.6640 1947796.4480 3800843.6580 1644487.1720 1557269.1880 1483819.5350 1960470.7600 1124083.0770 916868.7432 1281050.8240 1295030.0710 1770086.7360 1102607.6380 1587607.1590 871962.1518 1480873.3030 1486161.1340 797806.7845 2025898.1190 1160159.4660 1121503.3280 779223.7243 1169528.8490 2091504.2430 1422675.9020 TG(54:5)>TG(18:1_18:2_18:2)_and_TG(16:0_16:0_22:5)_and_TG(16:0_18:1_20:4)_M+NH3_feature5 TG 54:5 7492970.9780 16832831.1200 10694142.1900 10082967.2200 8090367.7710 20348642.1700 12212829.2400 15588242.7100 30470677.2600 8344429.1240 271.1323 287.3789 284.8194 294.4452 281.8041 304.3329 13397667.7700 15674161.0900 15352855.4400 12965872.9500 15885930.0700 15444908.6500 13426599.6500 16079562.1600 13546817.1400 9228349.8660 9377907.9990 3707429.9270 3417934.9370 21055428.1000 9185659.4630 13700065.2400 21692442.9400 19636370.2500 21675783.1400 34002778.9800 14852113.6700 18501456.4700 11974412.5300 6601469.8410 18516548.2000 6444508.9860 13943429.5500 13778542.8300 58827099.6600 10578906.8000 29694087.0800 6656119.2040 15250323.9300 16257298.7000 9666031.4620 13709242.8400 7814320.2970 3295378.2310 13633034.7000 17360275.7400 7368221.9760 8037265.1240 6352435.6760 5943427.1260 10600495.5300 6596417.0890 16795579.9500 10832657.0800 8387521.7960 3841268.9000 10361482.3100 274345.8227 8791234.1080 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature3 TG 18:1_18:2_18:2 507202.3975 1217911.7090 820953.4225 797090.7264 591320.1365 1671017.1100 1192354.4950 1329643.3670 2882155.7230 660828.2534 223.7717 305.8369 240.6620 220.8372 225.7064 223.0470 1220436.6260 1312645.2890 1253535.5100 1295709.6110 1291862.9560 1276101.9040 1279390.3720 1254698.1160 1256140.2670 1103435.5720 1155043.7930 356693.9966 369773.1513 1937006.6590 647872.0712 939505.3982 1841881.4430 1695580.7190 1620226.8250 3947976.6850 1294821.1880 1548417.0220 1040358.0700 429915.7269 1675657.1840 394039.4258 1277071.4910 1318766.8970 7307923.4790 887479.9114 3300589.9580 604976.9511 1469924.0370 1322056.6410 837067.4364 936614.8137 566373.7653 268216.9465 1057587.8410 1701677.4190 650422.0207 631123.6115 471875.9243 372069.2427 897896.0650 593511.9200 1554691.1620 1004830.4190 780422.9646 341570.6833 1037752.6250 1854083.0760 825682.6771 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 TG 18:1_18:2_18:2 41988384.8400 97144312.4400 39279010.5800 70881427.2300 60833566.6800 163140114.2000 98317307.6600 112133124.3000 199863683 93257926.5200 3862.1779 1697.0372 1264.4353 1299.7129 1558.6143 576.9651 131129519.9000 124940858.8000 128709171.5000 127201836.2000 128500100 129498962.6000 128044077.9000 126943496.2000 129117292.6000 122368207.1000 125637932.5000 48073694.4100 57309303.0500 178208503.5000 73043687.6300 95872799.8000 167429180.6000 174906729.4000 175183735.7000 198639682 118814565.4000 141679039.3000 96273218.1100 46452120.4300 141623476.7000 47442620.2300 115784161.3000 120683722.3000 329378004.4000 89393541.9000 272653423 69593765.8000 109145903.3000 115055296.4000 74215969.5100 103606607.2000 80299854.5600 23776711.5000 107911377.7000 223597073.7000 71427213.9600 56000944.4600 72005592.5700 37208778.8100 92606389.1200 71001496.1600 113132475.2000 86027455.5200 125086375.6000 73727916.1500 131788154.4000 233244352.6000 152475877 TG(54:6)>TG(16:0_16:0_22:6)_M+NH6_feature6 TG 16:0_16:0_22:6 3920254.2930 5801749.8910 4456393.7390 4414659.5750 4377873.2880 4275288.8420 4779996.8980 5503969.7030 6964407.9260 3672536.2170 544.8982 666.4526 529.1122 383.4277 292.1549 311.9296 4886418.7320 4713853.2690 5073927.9060 4955566.8030 4514951.9130 4777680.7670 4810120.7110 5031935.8000 4841213.3430 3503678.4390 3448285.0830 2454481.5280 2591955.5170 6421973.5050 4078987.0980 4342760.0840 6119708.3400 4924158.3380 6124327.6380 8376191.4530 4259210.0150 5663312.9130 4268974.2230 3138477.2690 5898398.2920 2818108.5070 3996547.0930 4677287.4470 11589481.1200 4777420.3310 6856831.3170 2751520.6600 5181888.7280 5706819.0890 5206677.9470 4330706.1410 4649424.8200 2313426.7810 4538934.7730 5125744.2450 4125596.7810 4359407.6860 3543261.1400 3196118.7250 4042883.7640 3066313.9390 5592015.1380 4237223.1930 2958695.9410 2110788.6980 3338792.9420 4456761.2440 3622317.2700 TG(54:6)>TG(16:0_18:2_20:4)_M+NH3_feature5 TG 16:0_18:2_20:4 4672283.1830 10701294.1700 7399840.9730 7111595.8760 5500457.8670 14121225.2500 10029327.7000 11137616.3900 23303322.5100 6057943.9440 273.1856 373.7268 294.3636 289.7222 296.3976 299.1006 10348429.7400 10577910.9100 10851319.0100 10951519.6300 10210051.2300 10882706.9100 9736178.9440 10419091.0100 11126091.4200 9435383.4630 10265569.1000 3210603.9840 3488209.3060 16135861.9000 5739546.6650 8432265.2200 15662675.8200 9163472.9440 14013159.1500 30618030.2600 10458393.4800 13176252.5600 9352767.0700 4052725.8160 12677039.3000 3636497.1680 6960157.9000 11543186.3700 51881425.9100 8377253.5050 27291178.1500 5312167.5060 11843743.8300 11321304.4600 7332172.2070 9819595.8130 4663845.9420 2546250.9640 8938393.0860 12766364.3700 5991233.3090 5456382.4260 4360952.3980 3586973.2980 7712894.9820 5028123.7800 12862526.9200 8699300.6850 6928647.8610 3420272.5780 9198052.0450 16089334.9800 7378313.5190 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 TG 54:6 10122121.9100 38186047.8000 10375026.3300 18387423.8800 18140166.7500 68786125.8500 30464370.3000 39159933.7000 90196966.8800 27630285.8700 398.3567 448.6992 480.8390 362.1586 473.7456 491.0227 50659972.5600 48617242.0200 49984773.3100 49325977.1200 47104869.9700 45852246.1500 49481382.1100 53422868.8800 48377957.1100 51674627.1800 50705767.2400 17664638.6000 18124235.8700 85830882.7100 21720161.6500 32573281.6600 67878888.6900 75544750.2200 83222351.4300 102608771.5000 49528562.1500 57977857.1900 32302224.8400 12012867.6400 51342212.6000 12513625.6000 39807412.5600 42712541.9600 198504250.3000 26756717.6500 140737869 23470093.7900 31915564.0700 43703052.7200 22982307.8600 40731261.1200 29904119.8100 5926507.6840 38161393.3500 116911865.4000 27782513.7300 17883400.7600 22580526.6200 9879639.9760 27884664.1500 20504704.9000 43091497.2700 31724144.1700 28062728.4000 20114885.2400 47236961.5500 79756394.4900 54489587.3800 TG(54:7)>TG(16:0_16:1_22:6)_and_TG(16:0_18:2_20:5)_M+NH3_feature4 TG 54:7 850156.8960 2772055.4170 866760.1907 1358294.9070 1126307.0460 2110866.4570 1382167.4010 1792799.6300 3375200.0890 978874.4279 333.1641 317.3449 332.7760 342.9132 358.9486 359.0182 1805440.8410 1764958.0320 1760937.4840 1826462.9030 1677075.0130 1765613.4530 1829270.0470 1818997.8690 1744266.9240 1333052.2900 1396845.6670 537254.2466 579330.0608 3047876.9750 1155014.1640 1767220.7240 2815797.6610 2339654.2530 2448254.5440 4169379.2080 1617763.0310 2142465.1030 1310068.3790 848535.0775 2564749.4410 666596.2038 1669257.3510 1848941.5780 6844808.6680 1165548.2620 3185153.5490 724000.2415 1348218.0300 2251567.2170 1458965.2320 1965516.1970 1233611.7190 474836.0833 1906852.0060 2994445.6460 1175725.6660 414345.2930 892271.9816 476571.2521 1435808.4560 1079407.4570 2678507.5090 1488393.6520 887626.6196 539415.1005 1158382.7010 1964487.2820 1087098.4900 TG(54:7)>TG(18:2_18:2_18:3)_feature3 TG 18:2_18:2_18:3 1559533.3630 5349674.4860 1660270.8300 2887146.4090 2503310.1380 8324546.9310 3330611.3700 5089146.7700 12649198.6400 3293870.6320 1299.0552 1218.6765 1322.0898 1288.8693 1323.2327 1405.6645 5623716.4040 5691773.8930 5458541.2220 5311959.4910 5506911.6390 5440163.1270 5645316.9460 5617454.7450 5564536.4320 5990580.8840 6774926.5520 2034625.2450 2353911.6800 11767702.3700 2572283.2500 3891008.6730 9202426.2460 8679505.0920 10886544.4100 13767039.9300 5746408.8680 7468991.4660 3592289.0040 1488598.1240 7838578.2800 1379889.1530 4714958.5110 5303647.7940 32469143.5900 3059166.9480 21400650.7400 2474079.4830 4050420.8480 6032253.7610 2613099.0050 5732470.8120 3726699.3800 832551.7343 4921681.6870 15432309.8100 3208570.8340 2511638.8690 3136944.5650 1148038.3830 3580654.9190 2481310.2050 5387569.3480 4288010.3040 3699799.5350 1879531.4100 4512633.0040 11946901.9500 4772039.5400 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature1 TG 18:2_18:2_18:3 22638.2039 41487.4637 70625.6643 22619.9892 20983.3234 24380.6599 22444.3438 28410.0917 47431.1660 14550.8859 454.7137 463.6339 492.9900 570.2523 671.1233 709.0498 32033.3156 34478.5974 26759.9205 30815.4778 26503.7608 31357.5680 28066.7359 31621.5039 32435.8232 20922.8209 26744.4064 10446.2002 13628.0078 51124.6608 17925.1128 48903.3454 51334.9194 38407.7410 33155.7903 66609.5205 20197.8606 30176.1021 17088.6152 21965.4990 40455.6889 22541.8164 35856.5760 27591.4209 90272.0224 18849.1696 46617.7185 14257.5753 27292.8070 45097.4054 32130.2570 32915.8730 23296.5454 18295.2471 26223.8297 38407.7947 21393.8314 17908.4574 12382.4612 26862.0816 30348.0488 19272.9346 42852.8959 21847.1132 13125.7502 11936.5822 18136.4150 22891.2156 19099.3622 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 TG 18:2_18:2_18:3 1661.4998 3868.9120 2396.7592 1998.3693 1416.1683 4432.3398 1587.9031 2788.5183 4711.0171 903.7845 107.0160 103.6041 104.8199 88.5554 91.7179 100.2284 3258.6327 2444.0984 2926.4668 2640.0487 3689.5112 2932.0533 3022.0547 2088.9074 3336.8132 4412.9062 2157.3539 1514.5951 1181.8359 10782.3885 1200.4633 2322.7338 3820.6336 3622.5352 5727.5201 13862.5314 4928.9668 5445.0789 2782.3037 1305.8284 5388.5299 1746.8779 2866.1312 1963.8111 19483.4001 2900.2683 4864.8482 1062.8543 2361.6375 5231.8973 4028.2618 3552.5732 2110.2674 830.4977 2762.1523 5399.1127 2199.3710 1383.8993 1222.3624 2111.3223 2642.3260 1111.9580 10825.8202 4410.7520 3451.4169 952.3888 1320.5253 4676.5297 1695.9717 TG(54:8)_M+NH3_feature1 TG 54:8 151079.4128 476220.7822 181612.0819 249858.3489 221700.4766 340931.8862 221906.5713 315329.0789 924675.2921 166460.0589 842.2543 856.1863 836.4965 640.3438 630.9620 696.8203 386133.3341 342686.4580 322554.7589 343670.4228 383263.5503 358049.4748 375662.8568 369391.4129 331651.0496 515006.6167 322588.0298 244314.9051 199616.3343 898695.7688 206257.2095 295108.4125 615435.8596 589973.4071 589225.9248 598126.1470 307117.7485 478585.5928 167032.6167 125256.7355 576952.3258 143929.4045 319357.9563 282094.3772 1866632.8200 170533.2631 1069109.0630 198619.4958 297467.7871 425366.2696 388086.0717 336220.9878 381446.3632 114337.5659 361974.2881 885447.0190 314096.6695 224723.2193 288543.5863 153911.9430 261877.7427 175803.4464 432407.5986 346347.3399 188847.1125 124573.5710 321335.6331 514357.7666 326165.1070 TG(54:8)_M+NH3_feature2 TG 54:8 72853.4197 183670.5212 182649.4459 91109.5395 78940.9195 117403.1833 76974.3635 119074.7889 215986.0759 57733.0661 251.5760 251.4165 260.7773 294.2352 301.7381 311.6866 116231.4816 118942.0928 146589.8034 120028.4362 127258.7770 115345.5774 122891.4307 118118.2916 130594.2591 5463.6616 131542.6394 29804.1447 56101.0060 225824.3918 83207.8400 156165.4891 284865.8298 148093.5692 185534.7485 464761.6093 86973.8114 146391.7173 93476.4269 64150.5329 192113.9449 53931.3869 123038.3592 135772.1131 791263.0807 73541.7057 340446.7809 47494.3765 109030.8481 197299.0618 123662.2877 127823.7820 69171.7152 51527.9396 103828.3029 246238.6444 81145.5662 71441.8011 47830.0513 71555.7142 134434.8015 59080.3829 217454.5690 119762.5448 67119.1991 39515.3172 52970.4818 115786.8730 76639.2998 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature1 TG 55:1 201772.5079 373968.0279 124943.6611 238824.2434 88845.9342 835595.6765 423865.5298 460302.9157 966022.0547 326257.5155 354.9809 382.2367 366.9588 314.7365 343.1311 360.2452 592821.0767 611591.1044 567489.2411 538314.7172 603955.4023 609735.5751 619028.8005 586178.2626 564411.3350 367675.4044 349864.1200 128429.5957 123380.9800 939990.0851 159289.1934 383119.1651 525620.8041 1047508.7070 1020490.5250 1745131.1160 436331.2878 506967.6214 318083.4669 153843.4533 571526.5680 128132.0925 479146.9408 432547.1390 2838485.8530 230786.7237 2142080.1500 226358.0504 519685.9680 425619.8656 134081.2244 405118.5607 315901.5625 70951.5379 367578.9174 1172499.0670 185371.6382 98704.5184 288726.8155 233119.2902 273162.3137 203706.3626 971843.4925 427310.1624 722281.8785 352922.8275 845509.7835 1126507.9040 754989.4328 TG(55:2)_M+NH3_feature1 TG 55:2 1022072.4400 1860639.5330 741976.1366 1206277.3830 868388.3283 3253406.7770 1711435.5840 2070754.6180 3619148.6490 1583403.6890 834.2518 837.3733 863.7690 814.4495 817.3372 829.0785 2358571.6270 2457858.9210 2429690.8980 2484409.7470 2419466.1250 2595428.7630 2269272.6780 2555868.3440 2345513.4850 1718729.4650 1694618.6040 622893.2511 687692.9523 3998823.3350 1211410.8850 1987602.4450 2908889.2600 3590691.9270 3337247.9260 5380111.7170 1910491.8410 2130730.7900 1459083.3730 893889.7533 2708715.8290 681313.2400 2277931.9710 2180985.1310 8332369.6800 1105773.4150 6876580.5520 1239805.0220 2523256.6880 2151066.3640 1226137.9620 2242280.3710 1496740.4840 338327.4239 1682498.1050 4267925.2890 1316526.9220 799628.4532 1304093.5300 1014655.5990 1761705.1140 1652087.4670 3326225.1410 1941350.1600 2555613.0810 1679736.9000 2966955.1260 6288742.3960 3122230.7290 TG(55:3)_feature3 TG 55:3 1540981.7210 3149842.0390 1067341.6090 838927.7940 1179158.2950 4983201.8920 2819431.5080 3103463.2370 5998668.0780 2528461.8900 287.4937 301.3233 293.8972 320.0053 315.8246 337.5434 3872433.3620 3675987.5420 3792404.1220 3868732.3350 3608086.5190 3647529.9120 3912310.3380 4134376.3010 3519947.9280 3224160.9070 3432683.2720 1142886.3840 1312394.0510 5982601.9710 2086698.8340 2655770.3660 5143912.0380 5988229.4900 4767104.2390 6073884.6740 3301657.7460 3752634.0790 2416231.1640 1024264.0100 4451988.1520 1313945.6500 3822492.6530 1767801.6060 13145950.0400 2115683.6840 6286261.2150 1800219.0660 3208505.1050 3574052.4360 2201772.5500 3315346.0440 2588380.1110 550744.4171 2959444.4140 6416076.5860 1983969.2250 1368096.8510 1511391.1980 1303452.7870 2827403.9330 2336025.1540 4797082.0360 3477342.8010 3998347.5840 2743371.4610 4191829.9840 9231212.5370 5377007.8910 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 TG 55:3 179096.5355 385757.8217 178122.1529 441988.7602 201982.4293 1085776.4960 655793.8126 684348.0820 1191326.9350 661318.6671 371.6321 390.9172 401.7475 757.3270 756.7857 822.9279 854085.9461 767618.8437 744968.4384 934616.9520 775827.9092 833925.6183 523319.1418 923862.1097 926674.1476 819621.5257 895029.9173 244037.5840 256961.9277 1225874.0460 392859.9356 596881.1961 1046970.6600 1153424.0340 1020811.2330 1047973.7090 850771.3866 848722.1792 623986.1348 204132.7288 885977.3794 238593.9381 735173.6671 505021.2834 1596834 469190.0320 1783195.2640 453104.2025 682733.0161 661815.8645 350496.6466 611975.9825 413887.8961 92526.9633 626749.4821 1144279.9770 449306.9667 211486.4040 402523.4857 192512.3064 463297.2438 416094.7360 754778.8494 694006.1244 760007.1836 398030.7368 834173.2303 1514607.4870 1222956.6960 TG(55:4)>TG(18:1_18:2_19:1)_and_TG(18:2_18:2_19:0)_and_TG(18:1_18:1_19:2)_M+NH3_feature2 TG 55:4 570074.8510 1736346.2520 563134.5247 1350335.0540 734870.3300 4668070.7610 1440443.2380 2313567.4680 5315045.6240 1383668.0510 303.4768 317.9591 326.5147 341.7852 330.2252 357.8199 2375892.4810 3382692.6240 3846059.1030 2619745.9580 2721258.1530 2466813.4390 2585577.3670 3509883.0550 3091276.3420 1646453.2610 2629479.8090 426760.7158 492229.7244 4752976.3990 1357988.4130 2085186.2930 3963808.7430 5304988.2050 4925074.0020 5895870.2290 2341502.9840 3141138.9220 1912835.0740 516438.2113 3829638.0230 527926.7837 3007064.3410 2323839.0430 12409044.3400 1446667.6000 10025867.4600 946456.3458 2707743.4340 2397077.9150 1239077.2610 2217764.3220 1223348.5270 205685.8517 2546085.4190 6634974.1030 1026604.8110 794349.7451 1124005.9730 471503.6089 1915317.3970 973058.0727 3266782.9010 1699325.5860 2657095.4250 1338207.4100 2614489.5570 9101216.2690 3374567.6400 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature1 TG 55:5 22685.3046 137936.2809 24540.9243 57510.7912 37432.1557 228888.1049 65572.1465 130809.6056 253677.8315 67863.5159 215.2608 230.0233 232.6893 409.6147 426.5060 449.2475 135037.7034 154773.4396 142626.4945 154333.5117 145027.1182 103076.1118 102996.3797 173609.8800 170755.5674 144530.4832 122032.3869 31022.1196 36166.9502 259796.9976 53158.2705 78270.2521 251613.7626 236302.3101 246757.0975 209512.9264 168716.6379 176229.7470 123692.9385 25110.7324 199551.0186 52068.3378 139893.5697 98381.5813 185836.4738 106744.4854 228018.3047 64605.8672 125643.9810 83680.8542 76992.9469 143860.4008 62598.0168 11967.0482 67627.5091 301880.5965 42271.9920 31214.5507 85030.8489 17544.3777 115449.1874 48595.0475 154125.4349 64275.7903 113460.7889 66138.8765 115708.5069 188424.4632 149148.7676 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 TG 55:5 331728.3909 875158.7229 269007.1453 448399.2353 401635.1972 1481318.3620 699786.4216 949714.9018 1897615.8770 582293.4062 332.1596 348.1112 343.3688 365.6979 353.7815 378.2889 1022386.4940 1110309.1980 1168957.7520 1167863.3110 1057209.7850 1120895.7260 1090083.2090 1100993.9340 1082904.2350 945320.8503 977638.3321 285060.6781 290728.7789 1892275.2270 468769.8189 755033.1877 1593734.4930 1676671.3280 1679608.5830 2513412.3490 1041294.8120 1331001.5400 698783.3087 274450.7256 1336175.0790 236735.4512 957305.4329 1032678.9960 4955216.7020 596561.2622 3524813.3690 540025.0740 1011299.4910 1026359.5080 534807.9772 887256.3476 592104.9365 101308.2567 740858.5800 2273820.7040 465875.1369 347312.1871 475212.4999 213050.3525 728674.6292 495282.0053 1067103.8880 843714.0151 959906.0205 357870.7325 1114176.0190 3006644.4920 1306127.7720 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature3 TG 55:5 61486.0779 185300.3149 141682.9140 139323.1599 110970.7901 218349.7972 157882.4856 188340.6564 292603.3828 100296.5278 336.9752 312.8504 318.0579 338.0110 373.1014 375.0857 177560.3385 228914.1060 183422.7822 202199.7382 221582.4433 203005.5044 187200.1121 193642.6188 202793.6832 162946.9439 210168.9330 78763.7921 85726.6583 219657.9430 113160.4656 152887.2845 267167.1295 223258.6333 233821.6350 359253.0396 163156.2106 256538.8537 202085.9297 96158.5199 203807.6218 98318.2835 175751.9392 176915.3597 557766.8409 134283.0317 391787.7469 117079.2783 188810.9475 190339.2080 132089.7581 185730.2616 108064.1385 61880.0064 156241.7568 204442.2492 143854.9481 112677.6624 85984.0657 97789.5484 141954.7892 93813.4245 207236.8404 168251.9212 147902.2499 95119.4073 178375.3299 239204.8492 136061.7895 TG(55:6)_M+NH3_feature1 TG 55:6 60134.6216 124785.8876 63907.6790 123136.2181 81918.0997 189399.2864 114927.4809 112925.0514 458056.9980 137307.6770 628.7043 645.0711 676.1972 636.8027 642.9191 646.5432 134822.6837 136977.9248 161461.6147 187839.0339 142789.7655 146810.6619 153276.1659 149243.9818 139362.9543 147399.3775 153837.4550 43712.8721 43154.4229 313887.8373 105295.7085 105026.9233 312791.9003 288025.1869 247286.0900 532520.7252 140296.0026 191458.0625 112623.5885 35724.0957 228142.7956 75829.3561 147279.9188 146563.1225 1039137.0510 87387.6898 694076.1479 113824.0994 143677.2883 150444.1965 83097.7296 141605.3856 94569.4625 48214.9749 93060.6567 436313.3412 71941.9150 67933.2249 66025.7281 45594.9171 205181.6354 55784.9016 155291.5783 119804.8288 128935.2501 75375.2634 220823.8416 298689.4875 217571.8380 TG(55:7)_M+NH3_feature2 TG 55:7 54499.3124 133381.4623 45652.9331 105670.6146 74483.9441 149923.7660 84414.9631 173078.7464 374302.3819 94319.1979 480.2419 542.2622 582.5350 533.3072 703.3107 731.3012 156509.3333 184347.2462 107808.5393 185350.9542 173524.7320 187661.0943 126485.5990 202272.5035 132382.6103 168046.5043 205439.0133 53020.7944 68891.2368 251210.8367 93297.1668 114063.8208 271439.8214 214713.3309 241889.0633 500293.2769 156685.5329 220978.9603 152742.4385 30891.1777 216929.8830 49340.3990 153175.4370 185912.1677 942346.8117 115947.2483 520711.9732 76690.4047 152553.4070 206847.0806 66627.3246 161627.1104 90257.7446 33685.9630 148738.8060 319942.8915 106950.2997 87534.4680 67047.4453 49692.2577 70900.9038 78322.2386 206958.4568 114544.8434 121697.8633 37691.3388 148221.0261 155357.4049 138122.7418 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 TG 18:2_18:3_20:5 20634.6043 57110.0204 54549.5883 19470.1176 20830.0371 36920.6569 36572.9086 47961.5115 95337.6550 22717.1264 428.6673 404.0689 395.9717 251.3844 232.3726 242.0987 58983.8457 56651.0381 53519.0370 47803.1052 43065.9234 54062.1037 46950.9677 55710.5194 58348.1848 69370.4669 47698.8050 28313.4784 18588.2970 89347.3681 36952.0594 49560.2506 56728.9180 58411.8320 64174.4640 91185.9249 37045.1609 42548.4872 24751.2844 26409.6645 74149.1754 29773.1662 41244.5580 20846.7033 237743.5719 31585.1152 111461.7336 32928.6520 47465.6728 28979.9710 43219.6349 47566.0353 43492.7583 33763.5348 55206.3483 129697.6484 53522.1752 30316.3528 25541.1089 27279.5860 21468.1273 52248.0835 58337.4413 45030.5011 21511.5615 23524.3380 41574.6740 43117.0442 35321.2109 TG(56:1)_M+NH3_feature1 TG 56:1 527377.9670 909495.3009 278334.2139 634463.4303 361326.7483 1210714.1830 698617.8598 819335.5839 1423731.8060 681546.5081 159.0333 181.5712 164.6083 228.1383 242.8623 257.1431 987343.5513 1027474.8140 1013677.6940 980319.4399 970814.3530 1037476.8670 1031635.5670 1056791.3370 934523.2053 759299.8868 642062.0495 270299.3552 246041.4013 1298057.7070 540291.0295 763529.5090 1141949.8890 1572805.9150 1404072.7070 2147278.9200 809749.3269 992675.9047 642834.2532 320228.2578 1121790.1310 298747.7103 1005049.6610 950482.3305 3121373.3520 332828.7642 2045578.1820 364972.3864 877731.7471 361663.7343 411294.6603 935341.4709 559513.8056 175054.9875 715055.7395 1477264.4720 470921.3765 283730.9294 507049.6710 514025.2109 777571.5682 635456.1747 1552321.4180 868660.8563 1059276 555783.5837 1139635.5930 2119175.9760 1126569.9150 TG(56:1)_M+NH3_feature2 TG 56:1 451188.9294 1003732.9680 517014.4892 646562.5873 449002.0503 1321806.4970 683839.1382 828740.2364 1602085.4350 611683.1607 249.9875 248.9217 277.7895 234.9520 250.1700 254.1963 1162128.2090 903012.7050 1234503.6880 1205523.2120 1154926.4270 1121898.2550 1164669.9040 1131589.3080 1036572.2660 440080.1410 396845.9365 215656.9235 185626.4239 1928654.4400 581174.5286 1010059.0850 1183617.4930 2329893.6170 1607816.9830 3318107.8220 627790.8169 709353.8981 572076.5564 468373.0699 1328131.6670 365772.4229 1079845.2330 876760.6483 4162350.2480 380016.4795 2988592.0110 364817.1262 844543.3877 890346.8818 626901.8896 1182814.6230 859732.4339 179578.1644 249296.9109 1894231.9680 567902.0908 296892.7530 631256.0859 572290.5422 838013.9968 875459.5445 2643513.0400 988912.9760 853063.5894 602686.5416 1338094.3040 1904227.5620 1150410.7780 TG(56:2)_M+NH3_feature2 TG 56:2 2921092.4260 4250374.3440 2097107.6360 2499270.9650 2557373.7700 9707946.9760 4154834.4270 3621801.2020 7491127.9670 3978129.5960 260.8269 550.5902 249.7434 376.8905 396.7503 426.5334 5561651.2110 6025101.0610 6835724.8790 5235367.0870 5753502.9730 7670593.5580 5766005.8020 6313023.6690 4950071.2210 3433997.1710 3600399.9840 1300872.6820 1853840.0880 8299399.6520 2889281.2430 5295216.4070 6651750.1170 11114441.4100 8918244.2700 12229375.3700 3147972.2410 5268761.4200 3824058.4690 2330248.4510 5810593.1080 1759788.9750 6121480.2100 5776740.5610 19910312.9000 2110045.7340 15042422.2900 1831206.2260 4148227.9530 5949440.2360 2193563.3370 4672689.3700 3755456.1760 806380.4176 4144475.0860 10009940.1700 3115386.8910 1448716.8970 3399771.2070 3255602.9420 4711397.2040 3569904.1450 8936769.7960 4898941.8830 7080014.8670 4452197.1340 7053653.8080 9756628.9550 7775137.3880 TG(56:3)>TG(18:1_18:1_20:1)_and_TG(18:1_18:2_20:0)_and_TG(18:0_18:2_20:1)_and_TG(16:0_18:1_22:2)_M+NH3_feature3 TG 56:3 7403705.0290 14675127.8500 5553937.1510 10542960.4900 6241028.5170 18495062.7200 8077086.6870 8678379.7590 17355663.7900 9704002.3250 1234.1848 640.0614 592.0676 689.5663 607.0064 596.7247 12792547.3200 15710759.5000 11959428.4900 14344440.8200 15903783.9300 14465637.1700 13716942.5600 13442585.1400 13540779.4600 8873974.6650 10189035.7600 5093772.5940 4264860.0160 26109354.5800 8724023.1220 14616634.1900 18109837.6900 25939126.0700 21118544.2000 25310880.6100 9394437.8310 11187273.0900 9845032.2620 6482250.7730 17671966.4500 4841149.7020 15889706.2400 13999015.8700 37419588.7700 7736060.3020 30510700.2400 8783031.3120 11282808.8300 14025440.5600 8945628.7900 16875300.3200 9555104.6200 2980008.8100 10336167.4900 17903752.9800 6627797.1750 4467481.2100 7332685.7050 7602979.3920 12387825.7100 11508020.9400 19494347.4800 15412869.4000 12274302.1500 8714351.4320 12848680.5700 30287969.0600 16985128.1500 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature2 TG 56:4 703942.1786 1595185.6950 1601692.6760 1720208.6640 1495011.3990 1980787.6780 2003970.5550 1964865.1210 2596769.5970 1514740.7480 500.7134 465.6747 469.2293 619.4109 648.5761 1133.5972 2188838.4120 2404628.1460 2493931.8610 2848070.0440 1687457.5820 2389834.7970 2273756.8120 2376100.0740 2480534.7680 2563788.1240 2653921.1860 1524470.5660 1678753.9680 2112164.4120 1481879.3010 1627070.7180 2805439.0240 2750275.2670 1977368.1210 4348760.8600 1868559.8780 2197393.3960 1992122.1100 1153219.6980 1339749.6150 805475.4630 1872527.6810 2417515.3750 4599047.0540 1507381.0980 3766427.0340 1561748.3670 2553504.5930 2139239.6940 1422825.5700 2005797.8070 1669471.5290 937855.1052 1758395.2220 2399796.4410 1426654.6690 1276333.6180 1274607.5380 975526.6818 2003991.4330 902318.2196 2928558.6300 2375168.8060 824287.3239 1737078.5950 2745313 3029099.7490 995625.4327 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 TG 56:4 7223094.8900 10838140.1200 5601434.9140 8298403.9260 7301438.6730 12045758.7500 7250931.1630 9508216.4200 16073450.4500 8213274.7800 333.6611 358.1405 361.4026 352.4377 344.8721 347.6548 12393421.5100 13380330.9100 11770321.2500 12053809.3600 12469276.7700 13009776.1000 12087916.2200 12549251.1600 12662396.6900 9096156.3010 12417313.5800 5357750.7650 5601926.9170 9995358.9220 7669056.6940 9295525.6240 15734771.6500 15119115.0900 14539418.2200 13698895.0200 9450253.4910 12068662.5400 9039167.7580 5911042.3830 13353274.7000 4675022.1670 11070081.4000 11682123.8200 18722039.3900 6087961.8510 13420893.4600 7837258.6780 12048417.4700 7974063.9740 4691403.8180 11473749.3300 9458687.1110 4098397.7810 8832636.8530 15749873.4900 7388417.8960 5344220.6500 4392281.9900 6510332.9800 12526718.7700 9197198.8770 17001089.4300 12531532.3300 12652551.7500 7840230.5970 14726138.1400 24971144.8800 13235553.9000 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature5 TG 56:4 215308.4202 134448.7968 487577.5943 156923.5648 186568.8791 2040151.4330 371900.8587 329895.4764 263019.7250 187816.2172 352.8629 350.3169 342.7312 198.8857 203.6374 212.4463 224203.6231 107277.1508 202331.1655 238494.4968 214513.9012 202824.8830 215877.1956 214720.6580 162235.1108 316714.1295 140395.9639 243957.2903 194343.8706 280895.7794 166303.2838 176973.4566 209456.8274 316952.7944 169882.2868 5393235.8780 215045.5100 168065.4720 180734.6923 281881.4214 101995.5303 359361.0637 339832.9357 702358.1260 6317000.8330 282037.3752 9223749.6630 337032.8694 479340.4847 116110.7887 930327.8158 143417.9377 1065376.1050 233297.5127 98145.7510 234074.9652 557746.2895 240146.1516 272676.4948 223204.8558 255050.1698 171651.6621 243777.7395 305946.2110 485256.5290 324164.5179 183341.6389 187522.7002 238091.1461 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature2 TG 16:0_18:1_22:4 658474.3037 957861.6783 694963.0560 557275.6283 688948.4139 1144446.4720 853400.9371 968394.6379 1438817.2780 329178.3526 275.8240 292.1339 289.3161 280.6842 268.3537 289.5044 1090582.3590 863449.2059 1087465.6930 897559.9256 1247252.9040 625475.1175 863741.0690 1285664.6560 973898.3325 640673.8361 530074.9102 256327.4181 241212.6689 1350124.0490 338302.1060 1209083.7570 1380284.3990 718179.8593 834988.5993 2288773.3630 926569.4297 1747800.9540 919638.2795 399595.8644 1526240.1380 409391.1519 1206266.8540 994161.2504 847077.5003 560820.7826 180021.2766 507960.6518 1614656.6370 1189544.4790 585422.8937 858285.2460 966659.6095 290000.8907 1184543.3430 310673.9245 449703.1975 509146.9598 401117.6415 435990.7108 966703.8950 408667.1354 1408343.2910 660638.6822 183346.1345 492309.9411 607231.2877 169054.2123 181735.0025 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature3 TG 16:0_18:1_22:4 3392776.8720 4982129.3690 2160213.9330 3152302.6640 3087509.7530 5870289.2150 4000625.3140 4952195.9480 7139140.2900 2971534.6250 413.3302 400.4432 418.2182 415.1609 422.9012 442.2269 5064323.7600 5663148.1700 5476368.7200 6806565.2190 6296855.7950 5733422.6490 5470592.6520 5170169.3920 5686733.9960 5825436.4320 6689714.3450 3252830.2390 3489635.1200 7539921.1740 3356655.4240 4278325.0720 7330217.6530 8507400.6380 7790907.7550 11982984.2900 5859322.8570 5729732.5950 3980442.7950 2222974.7840 6640210.5070 2077581.3100 5095752.8940 5360255.3450 14533347.8500 3246225.5410 13965549.9500 2601723.1090 5486672.4020 5457528.1960 3315861.7600 4035840.1400 4942275.0080 1637424.4560 4873634.0570 8929319.7070 3169304.8950 2713578.2210 2847775.5820 2960939.0820 6511055.8850 5001879.8740 7170747.4420 5761061.5790 5857024.0320 5217151.8980 8564329.8500 11379948.6300 7537957.4080 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature5 TG 16:0_18:1_22:4 2977240.6730 5422737.5520 4899276.1660 3523591.5050 3376634.2070 5010371.5790 5278704.6080 5346343.3490 7683410.2350 3146059.8860 393.0588 400.6952 421.3803 412.9362 439.0220 432.9494 5304144.1410 5499741.0020 5406502.3810 4934265.3700 5187382.3940 5956594.3080 5089542.8320 5280977.5150 5374680.1930 4221918.5480 4825480.4510 1981044.7630 1987051.4740 5811899.5660 2991890.5510 4805587.9220 7593062.0970 5849180.7070 6128350.6990 13114916.5500 4299019.1900 6477145.3210 4117450.6850 2674385.7010 6487378.2140 2871141.0160 5246685.6710 6293043.3040 17856555.5100 4249737.4830 12305056.5100 3394675.6390 5581276.0900 5758447.1910 3822418.5620 4554708.6900 3396239.7560 1912575.7230 3937768.2360 4753361.6410 3641683.9080 3230726.4990 2679200.7140 2851491.2830 4492438.1280 2540981.0830 5929167.3380 4331253.4320 3650056.2320 2509436.5290 4617748.3600 7353412.5660 4156012.9060 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 TG 16:0_18:0_22:6 952120.5932 1497163.4480 1287406.3780 1137216.5650 1075058.3590 1360697.4390 1264568.9970 1332709.3450 2229516.4080 815659.4011 469.5955 454.3380 499.1133 477.2489 461.0635 484.4275 1542776.5070 1487367.3640 1521702.8380 1597961.0050 1468287.0220 1513518.9840 1486712.5860 1507607.3660 1569103.1600 1078995.8250 1127542.4330 534964.3644 536339.8481 1681534.7740 951533.5001 1412696.1750 2201532.7160 1824304.2860 1675657.5310 4350440.1230 1142074.2410 1599892.7710 1093990.1500 827689.7725 1729858.5760 673080.4704 1381776.2800 1650998.4920 5465546.0650 1084787.2550 3240680.6290 735584.0135 1533015.7800 1848121.5420 1393473.3020 1388056.9210 1122852.0430 332162.7975 1168054.6710 1603715.8510 967407.9878 945983.8413 763771.1463 878483.4303 1205529.4200 777344.7886 2354706.6530 1373956.2070 1053052.1150 585052.1461 1229765.1930 1835370.6620 1144988.5650 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature2 TG 56:6 1019093.8760 3088880.3090 1189813.7830 1552376.0030 1113656.3430 4648408.2000 1711094.9910 2008409.8320 3805338.7860 1757224.7150 1346.6254 1909.9841 1172.6913 772.0623 441.8501 517.6039 3049317.3910 2257441.7400 3872422.3270 2535175.3870 2622436.1770 3352978.1520 2561589.8980 2879319.3590 3035791.8330 2243795.8640 2785661.6750 716789.7706 1256265.7180 4020237.9950 1877563.3060 1750145.0480 3695702.6640 3635082.5520 6045341.9070 4352064.0830 2214277.0060 2786507.9300 1392240.4270 1081923.6520 4713128.2620 837674.3918 3173497.1840 2422429.0940 7642834.1590 1637917.0010 5538331.9400 1257197.4880 2320472.6680 3359965.5390 1441011.9760 1889206.6680 1598611.1100 685144.8118 2243865.8270 5783704.4730 1027367.7780 1423451.5380 1016461.5130 833711.6224 2778436.5370 1295473.3290 4113639.4330 2844087.9310 2579486.7040 1151824.6360 2294056.5980 5231775.9420 2705926.0110 TG(56:6)>TG(18:1_18:1_20:4)_and_TG(16:0_18:1_22:5)_and_TG(18:1_18:2_20:3)_M+NH3_feature3 TG 56:6 7150892.1590 16689980.3800 8439690.3950 9300224.1970 7964367.3850 22302786.7100 14536028.4900 17156880.2700 33443717.0300 11155701.6800 1867.0999 1952.3429 1921.3958 1714.0388 1751.9172 1762.4278 17537968.7500 18840014.6500 17936664.9000 17524997.9600 17071666.4400 17578233.5300 16384454.3900 19439523.7200 18036833.4000 13606258.5100 12711278.2500 5194671.7880 4418544.6750 27374840.4900 9115116.6750 11532134.3500 25949239.4900 28184984.8800 25401532.1500 45890404.8200 15280514.7200 20234608.9700 12812849.8100 6477878.9170 23068334.7900 6419381.1380 16822799.0700 16876604.3800 94547407.2100 13150732.5500 47942141.0900 8714995.9070 19526793.2200 19209915.1100 10163733.0200 14090627.7900 10871361.0700 3951510.5250 17065820.3900 24784255.1000 8487902.5400 8111762.7440 7179280.8770 5894572.6600 14580057.1900 7672007.2720 19798700.1500 15162037.7900 12753095.1100 6015210.9280 17465237.9700 32544296.3800 14025981.1700 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature6 TG 16:0_18:1_22:6 3397080.1760 4906379.6580 4461427.8170 3717198.9810 3164583.2620 3946198.9090 3709020.4550 4327498.8600 6216061.4910 2615295.9780 922.2652 1311.7493 807.6355 645.0879 370.1506 434.7488 4549699.0020 4178304.5800 4543766.1940 4636445.7570 4259049.0810 4679228.9400 4470889.1000 4343250.5570 4423288.9600 3151936.3880 3363449.5530 1539016.4050 1810959.5050 6191432.7760 3406505.5750 4455015.0490 6625681.8360 5936116.8970 4752194.5680 9538044.7650 3729080.2350 5046123.2790 3445672.6310 2820911.8820 5462064.8850 2909573.6760 4043558.1170 4735135.4580 13860358.3200 3451881.5010 8201123.5480 2072781.8340 4156086.8990 5738359.3310 4298357.7120 3926978.9470 3329980.1100 2111505.2290 3605925.4650 4722950.6480 2859579.6230 3201696.1540 2335916.8310 2835406.5200 4328447.9450 2692541.2320 5804089.6530 4503178.9340 3032096.4900 1705111.7260 3615646.9150 5364468.0600 3675481.0680 TG(56:7)_M+NH3_feature1 TG 56:7 749904.1136 1609174.2130 1404229.0280 1106834.5020 1106836.0220 2117907.3370 1370099.3680 1819885.0870 3687869.7100 1012577.3170 477.4806 443.4665 460.8105 627.2149 647.9897 689.8371 1831634.3540 1923801.3470 1771384.7360 1841799.7610 1798113.2000 1877789.4160 1822707.3430 1817967.4080 1890035.0860 1978101.4940 2368847.7030 755536.8737 906952.0224 2601933.5980 932858.4352 1518696.5840 2850844.9270 2310584.1870 2696312.7990 4628001.0790 1559929.0670 2329487.6630 1484493.9290 699313.5661 2212954.2320 661371.6832 1751693.4860 1764825.7520 8836943.2540 1135160.0240 5514679.6660 921286.9883 1719884.6900 2313346.3850 1543643.3160 1520335.2740 1371618.7260 632036.3375 1700127.3650 3162600.8850 1288485.2100 1029768.2520 918389.5251 536939.6796 1769155.2520 821689.0252 2145178.8360 1582632.2980 1212404.0910 786054.6025 1573985.6090 3142833.3620 1540616.7670 TG(56:7)_M+NH3_feature3 TG 56:7 155925.8689 60667.6207 207703.9518 311638.0132 65455.8503 1053272.5490 587316.4065 654720.5509 1949819.9510 388437.5576 257.6938 289.5803 309.5983 200.1775 262.6662 265.1807 832458.4486 844044.6360 962284.2677 879268.3806 862485.1916 813486.0968 870596.7896 842856.3899 901182.3200 847656.9229 746143.5501 211322.8531 163790.6994 1607272.6380 346934.3894 700688.6415 1586730.1730 1547442.4060 1544977.1750 2678935.6660 673301.9698 895290.0431 71400.0271 135832.2522 1098321.7640 75117.3823 846578.0212 861312.9056 1913197.0660 355329.3235 2733805.4590 298752.8047 114941.1173 976341.8706 404816.5478 758526.2697 425302.1725 24342.9011 620059.7365 1806204.3370 268483.9807 59861.9110 235839.7740 42655.6056 557799.8714 361371.4828 1288708.0180 714460.7475 576092.8321 200076.9280 827698.9821 1949064.2300 669745.8834 TG(56:7)_M+NH3_feature5 TG 56:7 4655312.1540 11663124.9200 6899261.8550 7286188.0550 5790400.0890 16133722.5400 11880295.2300 12325552.2400 27765342.1500 6580538.7930 302.5551 310.3273 325.1922 301.3474 298.8075 301.1583 11783493.5400 13455132.9900 13632197.5200 13183588.3500 12794260.2500 12885072.1600 12983364.9800 12916177.0100 12654152.0700 13012620.5800 12666836.7900 3936902.2540 4181790.5910 17760264.2900 5985148.2650 8626241.6560 19073063.8000 17471368.1000 17549226.3300 38245754.8000 12022426.3900 14329056.2300 10534422.4200 3922375.3100 15016530.7000 3565920.7100 12160842.6900 13343895.4000 76047408.8000 8222242.0220 39859118.5700 6106581.1480 14659346.9900 13460144.0100 7606030.9000 10095222.3400 5974334.6510 2581396.4560 10265836.5300 18711178.2100 6490426.2160 5945351.9230 4296844.2110 3675018.9480 9398350.5650 5703027.3750 14112706.3300 10469630.4500 9663794.8420 3797181.1900 12809418.5200 23225636 9886447.2580 TG(56:8)>TG(16:0_18:2_22:6)_M+NH3_feature5 TG 16:0_18:2_22:6 2190575.6620 4463451.4540 4939239.9500 2764203.9590 3049295.7780 3321743.8320 4279835.6040 4111065.5930 6223229.9150 2241090.5820 270.5207 314.7867 341.7220 254.6505 346.0852 350.1996 3863180.1140 3923193.5220 4051694.6210 4135494.7920 4137170.0010 4038671.9610 3832499.0440 4041759.4450 3914489.2540 3433716.0550 3464803.3550 1552705.3020 1500641.4930 5505955.7580 2235452.5130 4873896.3280 5673991.1810 4514928.0560 4298120.5760 10257706.7000 3307939.5900 3953694.5830 3275125.8800 2231553.9180 4496741.0800 2187918.8900 3701875.9290 4439408.1190 15307877.8100 2626679.8880 8176285.2680 2307507.0380 4377929.4160 5393251.1780 3351705.6750 3512638.8580 3004931.1660 1633643.4660 3743238.9210 4740027.5700 3049038.9010 2768514.3510 2095556.4540 2333933.6660 4007036.0910 2051201.8730 5022735.2460 3612847.5100 2659306.4380 1605085.6120 3066774.9030 4872851.5820 3082457.9230 TG(56:8)>TG(18:2_18:2_20:4)_M+NH3_feature3 TG 18:2_18:2_20:4 1005164.4530 3883713.4150 1451268.4480 1994354.2580 1422832.6450 3004084.8000 2922796.9930 3403337.8080 9447149.6970 1577585.7310 318.4246 311.6457 325.0579 340.0590 365.9137 362.9483 3763711.9820 3320741.1500 3725417.4450 3477319.9040 3415097.2860 4199791.3270 3862028.4150 3488194.5900 3303843.8250 3435737.3200 3853531.5060 690447.8307 1250848.7490 5480879.0520 1929221.5520 2439068.5910 5815524.6080 4885702.0270 5628944.6750 9241436.6940 2027183.2000 3089540.0090 2675023.6730 896058.2120 4087406.9060 807722.1740 2924471.2220 3408230.0390 29904739.3700 1815381.3190 13529826.4900 1457408.4760 3569120.9490 3771891.4450 2002107.9400 2834025.4930 1595198.1550 692303.6143 2860396.3930 6134393.9500 2082619.1250 1782968.4460 1205129.4800 1001060.7190 2635884.7830 1562022.1460 4280280.2160 2566994.4220 2203315.1230 692034.1402 3113060.7270 6689001.1450 2326587.7340 TG(56:8)_M+NH3_feature1 TG 56:8 16273.0071 32276.3053 29651.2087 27963.3495 17884.1234 41564.9806 23068.2743 29037.8243 58175.6369 21144.3547 220.0682 203.5322 212.0860 269.8731 278.4726 296.0918 25690.3230 25149.9365 25038.5688 26701.7875 22418.4024 25829.4084 28171.1037 24418.0074 24671.5308 32747.0095 45635.4012 17841.4332 28446.3464 41527.3241 22474.6878 31440.9508 47974.3408 35038.7183 42827.0378 50225.5996 35428.2517 34057.5306 32668.9736 15657.1137 33098.0312 15626.6979 29963.6583 28399.9693 213692.3626 23578.4551 66200.5234 17256.2756 25784.7270 35854.8650 26697.0238 28196.1808 26918.6241 11315.3467 20061.1834 39663.8936 26228.5226 19492.1399 23833.6859 12378.3076 30450.4479 17492.8085 30233.4828 26533.2262 25537.3121 18340.6164 28687.7603 44939.2448 34359.5682 TG(56:9)_M+NH3_feature1 TG 56:9 115477.5656 504311.8489 183115.6580 233871.4450 152563.2852 349308.1244 298298.6077 464931.3453 1233887.6070 152423.0904 265.3803 265.3395 305.9445 232.5781 282.6751 294.9970 454753.2393 404003.3240 318120.7955 471518.3191 324209.2376 319542.6344 447836.8678 375757.6958 448532.3886 530327.6709 419825.5924 175330.3339 192475.6320 768939.8314 138567.6252 217409.4382 766965.8880 568890.0119 475861.5352 1125397.4110 284634.0804 429701.8791 234436.4418 87919.0783 526567.2924 69527.7774 319214.9844 284817.2611 3213886.6570 229150.6899 1423407.4670 155322.9370 251576.1724 406841.7604 258124.1764 338524.9317 230218.0396 81390.5532 377410.8763 929357.3695 209019.6770 279072.5494 135981.3552 99942.4005 251992.3636 138894.1156 649734.5265 298327.5809 242514.8616 130952.0784 367968.9070 697729.1306 312723.5039 TG(56:9)_M+NH3_feature3 TG 56:9 133508.5525 315160.1425 371445.4044 116436.7231 157109.6133 61369.1506 154907.6159 216954.2490 354553.0422 63492.7646 243.1725 238.6043 242.3455 330.1284 340.2263 328.6196 189139.4153 268198.1294 341820.1164 198052.4698 341483.1909 242401.2964 220672.1821 237889.9506 257922.9395 256042.5177 239007.7238 82153.6385 118871.4887 479598.0767 143943.3487 297993.5442 428186.4663 258320.0568 143791.7570 584334.6958 145128.2086 476347.8297 227155.4810 121437.6708 101400.6902 100177.4573 186614.4189 466297.7388 914882.8242 128203.0998 388526.8162 92180.4110 180356.2507 191272.3577 232210.9597 75801.4061 154242.1863 89786.2240 158675.0187 298448.5641 84849.5861 142365.4780 99453.5328 136545.7842 307053.6928 117772.0806 285600.1400 214654.1282 95421.1263 77668.5662 108572.0652 231371.6744 137807.6173 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 TG 57:1 44457.3068 94290.0375 43579.2497 63200.1145 41595.9775 152846.2263 66562.0636 78754.4737 180430.7862 74375.9808 290.4322 325.9133 329.2978 293.4882 326.9834 348.3040 132429.4213 132448.8360 117893.9644 137777.2899 133762.0170 131469.9648 125145.9436 131510.3854 131122.4365 43015.9349 23947.7927 18367.4340 12787.3310 241928.7682 45932.6346 110042.7124 130835.0664 306563.5184 179915.7029 390520.6534 70050.8527 81789.7365 61782.9659 46576.9795 165127.4427 32189.1644 110844.3656 95354.5972 617489.3731 37461.8600 371896.9524 39527.1447 81780.2196 98435.8877 62136.8993 128160.4146 85130.3432 19367.6726 63602.1987 214417.4064 57670.3866 17492.7317 63602.8665 58180.4567 80008.5064 87327.0405 304084.0902 116947.1157 166971.5432 66761.8924 128737.1444 625395.1354 117933.0959 TG(57:2)_M+NH3_feature1 TG 57:2 118372.9357 180457.8858 79549.8660 117300.3670 12208.3694 443745.9503 154262.4978 206546.4940 529407.0832 173087.5398 286.9529 303.0288 297.0540 307.5548 336.1033 323.1877 317810.9778 291988.7010 308315.0496 307241.3111 325738.0936 340174.0883 322618.2642 200268.2769 365959.9380 147310.8501 154457.1774 44767.7855 51245.8833 671011.8265 119612.0237 254660.9065 433906.8486 383952.8803 546358.0288 1199778.0600 183167.6434 238461.7111 152489.4249 54623.1871 420525.3996 59714.9235 290329.0649 244914.1782 1934940.0710 11872.1249 1449080.2620 11504.0137 233560.1863 250790.5805 110604.4050 311621.2445 142247.4530 26911.8065 178881.9654 612269.1230 16355.0795 13374.9984 123363.0953 98220.9820 212369.8043 149464.5411 619671.3655 237787.2460 389559.3630 206632.4200 486840.1442 1714594.6430 365725.8943 TG(57:3)_M+NH3_feature1 TG 57:3 54363.6865 83056.3815 19142.6630 57533.1004 40566.5885 145092.1312 93074.0596 93999.1116 169643.8038 86739.2594 193.2401 202.8075 199.9164 413.4377 418.5634 448.2384 119710.5023 125498.8368 119041.0911 129159.9766 98834.8869 110281.6549 105188.7865 131327.6249 139756.1801 127967.8426 150777.6227 53674.9135 58084.7601 174241.0746 68983.7622 93524.5474 149277.4435 173497.3323 139597.2294 274142.5473 92796.8167 96310.9716 75962.0998 35010.6249 115046.7586 43945.7709 96370.4243 96619.2906 345866.6240 48830.3181 427012.0892 58409.3482 120522.8962 92499.8941 46509.3871 105862.7739 83333.0133 15262.2732 81382.6199 265146.0440 60396.8855 30622.8204 58910.8677 47588.2373 86696.2727 79432.3034 165892.9317 103660.7231 158085.6980 121782.1393 172365.6465 337228.5382 163725.2933 TG(57:3)_M+NH3_feature2 TG 57:3 179107.8655 332979.5235 140414.4649 140869.2752 155351.3449 580550.2764 300046.8785 312326.2351 689294.0653 276188.7430 339.4520 337.4498 348.0105 311.8580 328.5533 316.9810 440771.9504 508668.1107 480574.1527 481662.6065 446214.5621 467818.7609 470249.4023 478017.5013 476396.9275 334438.0377 333965.0837 126320.6897 121395.1973 799055.8557 196648.2091 390271.6512 567338.2951 868028.6545 664527.3485 1272992.0680 328591.1858 382367.6981 280288.0377 156628.7245 539451.1871 77686.7653 242910.9874 375665.9497 1963503.7060 188218.0303 1473306.0060 212512.6816 460790.6653 416235.0612 226206.1782 430753.6688 289837.6685 42958.5555 279338.9877 829269.1289 243958.8253 129704.2820 241792.7678 205882.2271 344323.3451 301572.9054 751306.0195 410439.7600 572810.2173 357931.4475 634102.8803 1680274.9620 555215.4396 TG(57:4)_M+NH3_feature2 TG 57:4 92995.6602 233149.7824 110564.7391 139504.9140 86154.3675 312623.9001 198280.7555 224983.0934 408312.5777 116941.9442 441.1976 455.9266 446.1502 435.6784 432.3231 457.5972 304513.6342 326113.6100 203166.3323 251250.8571 290897.7633 285459.6292 277074.5195 293653.7004 282886.4623 254594.7209 261850.9824 67399.0571 76376.9237 393995.0714 106532.5963 233903.3119 265532.8274 475272.8367 383144.7972 778760.8882 219613.5369 275537.5902 199623.3215 78527.4223 338088.3417 68536.6769 115442.8473 243212.8487 1210092.9490 120156.2530 791268.4715 124655.8716 267278.6418 256081.8182 93749.9557 210571.2210 189834.6881 38006.0761 164681.7942 478262.9272 107082.3606 79625.5169 119982.2487 105118.9065 240711.0629 177746.2376 393687.9674 261169.3303 311681.7716 139474.8016 365298.6168 858042.3102 347605.9058 TG(58:10)_M+NH3_feature2 TG 58:10 458731.1229 924391.4152 1148926.6440 581819.2868 679154.4482 736832.3134 744303.3783 892652.8749 1895064.3260 409942.3979 275.2418 255.0104 264.3336 289.5932 298.0767 316.1413 864138.7948 939041.1709 878943.3603 907755.4924 877011.5514 923107.0170 877471.1707 902034.7324 891191.4411 894322.5744 1073391.1810 324019.6172 394755.2487 1178530.4550 432656.8234 793298.4900 1501171.0430 986892.3455 1162168.6750 2986405.8730 618125.6141 1078170.4410 727951.0800 394407.6723 1028701.7320 378893.9379 968450.9408 877021.8974 6414843.3900 523440.5882 2912221.7850 480432.1660 1034684.2000 1366591.6920 944153.3306 707979.9758 659763.7854 477754.1689 888197.0559 1164318.8680 726073.7703 557575.8847 350965.3426 347818.0412 1145548.5620 404167.5966 1239037.3380 829565.3423 605646.5513 406527.0693 779698.7818 1410808.9710 692746.5379 TG(58:10)_M+NH3_feature3 TG 58:10 407240.6832 743220.7328 980287.9029 395693.0620 619833.5673 322570.2467 408545.4192 474830.4329 633761.8499 237433.8152 221.0741 221.6783 220.2413 241.4629 253.1038 253.2690 469953.4407 466855.6975 513978.4434 495335.4870 440567.5695 460284.7519 500785.2312 487755.9840 470303.6129 306259.3166 341869.6202 161960.6770 177494.8960 742726.2149 314578.3846 910046.9518 831931.6663 596289.7669 461988.1293 941427.2434 322053.4188 461531.1408 338177.8326 547234.7082 781459.1773 505577.7349 650503.6971 542493.9317 1189067.8770 384260.9578 578446.2294 226840.1347 420312.7475 706336.6832 571119.7090 438636.3256 518088.2117 253863.5878 369462.1340 316341.2444 376696.8458 349023.6344 244568.9153 440046.2818 608300.3002 266084.3876 507803.9159 509140.1344 215178.8207 141249.4671 245409.2485 279256.9488 214423.7752 TG(58:11)_M+NH3_feature1 TG 58:11 79060.0617 161832.1009 191562.8276 100311.2653 118505.2464 75670.4067 95749.1763 117843.4487 212740.8151 50627.1037 368.6532 345.0911 420.3755 345.7377 332.9545 382.2957 120281.7600 116082.7824 116009.3649 120477.3334 114452.5844 124880.5278 116884.2750 121605.7748 114284.2620 107344.7369 106673.4995 51580.1475 53416.6168 161763.4131 69501.9788 130056.0056 170238.6984 97073.5190 115964.1440 240938.1667 73269.5442 134707.4683 82938.1671 71495.2869 159465.2232 61524.8369 127245.2641 97203.9982 518053.0123 63781.1258 214872.0671 61260.9989 102629.7120 172197.1379 152294.6277 110793.9338 112771.8043 91303.9038 134368.8191 154963.0706 109784.8795 85638.6437 53446.4977 103459.1210 153272.3719 67694.6411 168765.2696 116369.3714 64644.2068 70279.4949 97077.6508 112891.1472 88948.9554 TG(58:11)_M+NH3_feature2 TG 58:11 15989.0527 48478.2086 77715.8537 20309.2839 20623.9066 17393.2358 14052.6414 21724.6136 31317.7462 9476.1383 218.8932 222.4224 249.1430 349.2578 365.6186 407.5673 22216.7246 17272.6787 22172.4270 23265.1415 24117.2269 21269.5869 19476.9998 20124.1752 21107.3930 11758.5376 21027.5421 7346.3637 12873.8113 57522.9431 10469.6688 64887.7859 37058.7551 20457.4277 24477.5091 46752.4929 11632.5381 22916.3473 17320.5566 16931.4153 43699.8209 11814.6716 15541.3964 17893.4617 65872.8206 14161.9079 26635.0822 5196.5625 13663.6387 48435.6994 34708.8824 23657.0118 22454.6770 14264.9596 14540.1234 24623.4098 18167.5249 18885.9837 10531.3349 29145.3978 23478.8501 13057.9612 31262.0502 23930.3210 7675.1085 7159.9672 8932.7205 12468.5184 8693.5376 TG(58:1)>TG(16:0_18:1_24:0)_and_TG(16:0_16:0_26:1)_and_TG(18:0_18:1_22:0)_M+NH3_feature1 TG 58:1 218052.7822 411874.3153 253257.6129 297886.8778 203962.3453 520200.3108 299319.2815 343243.1965 587969.1853 310582.1786 261.7888 246.4029 270.6369 263.8617 266.9780 270.5892 508883.7712 483903.3303 476514.1755 517043.6360 488201.9146 476581.0003 492815.8118 512587.6249 489529.3694 152742.7183 131789.5378 96084.2966 82917.8114 761733.7435 269089.0597 455663.6525 447099.1264 892846.1115 659646.5463 1037012.0510 302955.8067 323507.9231 310741.2973 252980.9649 551918.1417 192765.1202 448780.0781 350943.7989 1626476.4900 191423.4854 1083502.9380 158807.8967 383744.5657 456968.6958 349628.5272 493453.3429 380788.5451 104282.4376 281882.3046 637419.9973 282607.1977 191250.6712 305691.7763 232772.3050 358704.5877 348492.6457 1011011.1470 500498.6897 504147.7110 255763.5064 463440.2657 1432722.3950 433438.2240 TG(58:2)_M+NH3_feature1 TG 58:2 9309.3681 30355.1157 8675.9658 17830.7495 10045.5727 35597.0908 8006.4842 16446.3152 31107.8117 11518.1134 82.2608 70.5078 83.9715 65.1265 65.7776 63.1833 27910.8778 32722.0447 30678.2172 33918.3647 25171.5593 27133.1186 24107.6393 31910.1603 34122.8085 9911.0269 12497.6476 2531.8577 2238.4166 86089.5017 14657.4500 27022.1898 49383.2493 132478.1780 40923.5059 73560.4569 15946.9537 21665.1506 16889.0400 8561.6657 44842.8465 6775.6898 32964.0595 22671.9751 142406.8463 10525.5551 104063.7675 8678.9966 21410.8913 31749.2581 18402.9341 26616.4788 31669.2494 2292.9382 17998.9416 53137.0082 9000.3859 4395.4318 8705.0770 10199.7894 35987.8730 29629.1745 65896.6285 53315.2174 30536.3974 11182.8069 38985.6852 182408.9663 26076.1570 TG(58:2)_M+NH3_feature2 TG 58:2 583935.7341 1316999.7930 484651.4215 685181.4363 429867.1823 2156358.1760 707831.8135 1086862.1150 2556516.2200 897979.8664 315.0142 341.6634 345.1594 272.5395 308.0422 319.1888 1641323.3490 1264113.7050 1327318.9500 1747685.8310 1589407.0600 1225715.6550 1226928.4520 1642176.6560 1550611.4230 604307.1850 591366.0776 218922.2112 192609.6425 3131916.5940 822444.7065 1505576.0140 1912017.4760 3777999.7180 1880143.8140 4529344.6520 714174.9820 786295.8162 641750.7809 448729.7893 2075634.2680 473645.2167 1287215.9900 1266410.7920 7294740.3920 385878.7209 6084157.2710 404110.5172 917784.1975 1380293.6270 747593.7280 1670712.8190 1229937.0080 166813.7264 915126.4754 2276379.4110 810945.5708 311310.6177 631702.9331 831932.3373 942373.5744 1123280.1960 2924363.2480 1197503.7300 1589828.2730 747962.8927 1550284.7800 6115087.1070 1129531.4400 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature1 TG 58:3 10023.0143 25840.3392 28562.2313 10663.3008 26846.1425 20184.6266 15549.3481 22606.1020 36143.1822 10271.1856 215.2849 230.3022 220.2352 171.7392 175.7623 181.6067 28734.9186 23120.7300 22820.0127 23056.8298 24275.5206 29917.1286 26858.4103 29716.4622 19590.7978 10890.3160 11003.6021 2763.9245 5065.3160 34239.4772 13314.7998 22348.7794 34530.2046 40679.6280 24053.4808 41977.9656 10302.0580 26173.1997 14808.7634 5617.9999 23555.4736 7394.4991 27476.4128 33917.7902 37950.2942 10423.4741 79608.2174 9608.5941 24711.1582 24095.2737 16367.5980 21795.5620 14493.0031 14687.8128 20580.7090 33108.0261 16625.6739 5938.3570 13375.7582 8769.6393 35793.9368 18296.0743 29213.3548 23648.9181 21869.9607 10010.1282 29057.6344 65193.5900 21307.4139 TG(58:3)_M+NH3_feature2 TG 58:3 1206598.2000 2093343.8800 1122158.7310 1451455.7650 1009169.4920 3355147.9010 1429646.1030 1505616.6860 3392343.6450 1542393.9120 646.4821 642.4112 658.9109 608.8502 643.7701 676.9872 2250857.2650 2738242.7950 3031537.5100 2885137.9570 2804655.9050 2558790.6630 2675417.9220 2819654.4380 2477759.9390 1580134.7130 1501434.4700 471394.8741 526829.0037 5011390.4670 1369030.7810 2307512.7250 3471948.9290 6215874.1060 3786358.1370 6082099.0990 1832919.8020 2143889.0180 1520815.7550 846428.5322 3492416.8190 642305.9512 2213800.7520 2323530.3800 9621894.5030 882342.0853 7995874.4280 849660.2251 2229105.7800 2668853.5200 1295766.3540 2659579.7700 1621350.4110 367939.1100 1477896.4610 4180870.6700 1181896.3520 778489.0697 1217485 1347700.3990 2606831.6350 1995548.2160 4545590.6420 2949563.1470 3015602.3590 1874702.2540 3089997.9380 8822143.8310 2738237.9050 TG(58:4)_M+NH3_feature4 TG 58:4 766906.4581 841974.8589 674578.8164 877784.2771 565148.9936 1448793.8340 737156.8582 688442.7301 1094215.2130 592620.2358 236.7112 237.9792 235.7573 287.2644 304.5301 299.6259 1398662.8460 1410368.6590 865198.9012 935628.8933 1380692.9470 1692502.3200 1291183.9330 1245834.4590 1080215.5460 1047263.0660 1490742.7350 502467.4355 624685.8777 2229770.4490 897291.9564 994733.9104 1442432.1620 1587916.6030 1333401.6620 2553837.2630 1085286.8990 702247.4993 992680.7665 463785.9811 1766942.4050 492356.0960 754753.7632 894842.5011 2411418.2940 728809.9073 2276194.6650 683506.2437 794184.3995 1113446.4230 990732.5655 838778.3750 1088353.1440 386587.3396 551827.6765 1638286.6330 648773.5684 463912.5250 589062.1847 760251.9274 1135228.6630 865801.0046 1674468.4440 1305307.3030 1516041.0120 1250443.2850 997296.2078 2778189.1680 1248564.0460 TG(58:5)_M+NH3_feature1 TG 58:5 92100.8587 59427.8157 88071.3598 83468.4164 86527.8105 61684.2851 80964.1060 75529.1233 61448.2519 55958.8148 180.1976 189.7633 199.1734 314.4432 323.0902 340.8247 68603.0868 67896.0851 63680.3797 92083.4218 79091.2046 85194.4136 70083.0258 61174.9896 64991.4346 117987.1948 158731.7691 130618.7905 142825.2729 45929.8200 77774.2766 81594.5197 108267.6316 80098.8022 35023.5720 26369.3597 72577.6906 8739.1515 96004.6615 79546.8855 42993.8379 75257.6610 55328.7483 82568.4841 56905.2420 71194.1615 34151.3524 100943.6446 84177.0338 100305.6207 91522.9965 64515.9229 105596.2171 83509.6356 62557.0571 27603.1962 74852.5529 75205.1997 66913.0588 101783.6742 112019.8062 95715.1396 82763.2287 91168.2232 88055.9719 107259.6845 92175.4316 34240.4806 98661.3997 TG(58:5)_M+NH3_feature2 TG 58:5 152827.7228 277185.7346 176844.5478 210599.7642 154943.5754 290244.9366 225598.8257 232970.7408 247462.2319 211073.1126 176.1819 185.3627 191.1528 295.0930 292.5541 317.8883 236393.8059 222075.7197 202478.3532 244969.8179 220260.1212 227646.6355 235528.8550 202973.2909 238328.2811 161651.9922 171072.3785 142264.1798 79757.2345 225994.0607 182873.0150 284333.5826 242079.2834 239560.3011 227436.2760 313010.7115 198677.1523 234400.6372 231591.4836 247756.6842 285737.0412 240380.0373 237446.5002 281315.3980 66813.7391 225109.4021 289164.6148 152232.4006 263269.9524 236988.6411 184269.1478 132617.5088 199743.2600 146990.4007 224777.1283 172194.1090 186135.0702 211212.3292 91462.1905 172146.3378 206053.5418 153542.5873 275561.9966 191327.4357 182452.2900 123709.3172 212601.0045 202640.1414 163266.7536 TG(58:5)_M+NH3_feature3 TG 58:5 47029.8154 124103.8536 87255.7866 67530.4095 63254.9630 127067.8241 90017.6836 152310.0274 390005.6812 56827.7775 188.7904 192.3588 195.5431 178.9721 177.1658 189.9101 171278.4475 181596.2467 202326.0650 184294.7472 172602.3530 175423.9921 184526.5552 182770.4082 182827.2186 105773.4555 117820.1549 23044.0230 27185.7487 226649.6727 48357.5419 92467.3722 268825.6207 227131.6277 204150.8114 1180673.2450 115118.1046 196039.2345 107283.9426 24343.2253 148845.6398 14943.7076 163940.7989 198486.7742 2132226.2230 65294.6569 1069701.2870 65277.1507 236410.1565 139075.9147 70295.5661 62421.3292 58895.8541 37759.7227 115659.9431 217818.0310 67757.9369 50906.5258 38625.0363 23155.0039 167449.2079 62009.9744 299221.5517 124173.1139 135682.0631 57303.8948 207863.1469 591108.4172 159264.6848 TG(58:5)_M+NH3_feature5 TG 58:5 1112497.5270 1563033.2540 1579420.6480 1148031.8270 1027626.5910 1783733.4130 1549125.0580 1623549.8950 2802511.7000 1062541.4330 344.2780 357.7787 354.9118 361.0786 373.6957 377.9226 1713118.7930 1785804.3840 1743237.3360 1770702.8760 1582146.2160 1697852.9740 1731607.4070 1791552.2610 1745386.4320 1279364.7490 1414284.8630 618297.9195 604970.0462 1976089.6900 990063.4449 1412710.2500 2607400.5910 2221541.0230 1903985.2550 5032717.1810 1310548.7040 1748736.9860 1345867.4660 766035.1033 1734658.4850 861111.5305 1909972.9510 2079188.3890 6862178.7480 1007319.3340 3951512.3660 1036599.0060 2233033.5800 1803137.8300 1248704.9350 1402194.3770 1049936.1740 601527.9530 1625084.8670 1699970.1420 1286338.7230 939476.9166 737256.1580 747689.3486 1889252.5600 1024041.7130 2426586.0690 1609959.7140 1617241.8540 1015928.8380 2041840.9280 2965899.9010 1498272.5660 TG(58:6)_M+NH3_feature1 TG 58:6 61402.6989 133667.6837 6811.5378 73452.8948 48988.8272 278705.0201 176252.5129 176549.6487 486083.1629 74731.9004 153.1615 153.8179 136.3191 110.6353 102.0421 108.0108 232384.7948 257262.2355 258845.1888 272570.4919 253703.5486 232418.0102 254613.1838 243451.6043 257566.6880 236282.3887 206587.2791 39301.5510 40389.9742 316094.7774 72849.8013 107473.4573 485694.6687 386251.0489 374016.1560 1319308.9570 174349.2677 295121.6440 131741.5956 42124.2931 221376.0836 31420.1254 203042.2830 273340.2107 2942020.9120 106490.1540 1158021.0540 87485.8388 406979.7334 230897.5092 89775.5248 117062.9028 58916.1364 26025.1715 154293.2029 332445.0276 68155.8668 68166.8788 49141.0607 29171.0896 143891.7184 63588.3594 231809.2249 155592.5329 231502.7610 67671.7613 354573.8837 741114.7850 262230.9595 TG(58:6)_M+NH3_feature2 TG 58:6 906863.4625 1026549.0060 815596.2136 966020.8112 749195.7490 1209131.3920 1203685.8960 1276387.3140 1398109.6130 953945.6213 230.7602 243.0787 241.0011 411.6612 401.6688 433.2269 1171147.7980 1248955.5920 1264702.9740 1199592.8580 598350.0773 1175153.1020 1265555.6100 1206472.3890 1316856.0190 987113.8869 1346060.8910 378542.8993 647385.5907 1124977.5010 890080.6977 971571.6464 1384722.8740 1245453.5230 1128785.2870 1743359.0040 684976.1966 1221517.4460 1183675.0550 689033.9055 1222651.8230 681341.8066 1063721.8880 1322921.8440 1071589.3100 951990.3124 883516.0942 709219.6689 777797.4498 1380033.4830 849803.5510 1012056.2260 733087.5217 409525.1910 1115961.1940 1088207.8840 684779.7243 781023.9627 674464.6270 607727.9714 1068787.6420 747436.5319 1427497.7540 1159950.6720 1075732.0920 716594.0238 1287996.1530 1235947.9300 926082.4462 TG(58:6)_M+NH3_feature5 TG 58:6 1183674.4250 2255162.8800 792202.0400 1521469.0050 1122615.0270 3151235.7830 2161422.6130 2358925.6250 2451204.9670 1344199.6350 317.2447 324.5568 337.6355 340.1007 354.7671 345.7684 2948343.5990 2950787.8930 2822561.5200 2911334.5960 3159911.5360 3101580.0250 2898679.8370 2752178.6040 2992955.6100 1986303.0890 2013096.1210 689059.6821 673243.1185 3319827.4620 1295748.1200 2140451.1620 4652704.7250 4037171.6270 3248032.0830 4806029.2940 2244222.3170 3059729.0200 2077380.5600 895391.3990 3338562.0670 1126390.7000 3019622.2980 3360017.0610 6930822.1410 1774682.1540 5021236.1130 1238390.9240 3391613.0590 3090935.0780 1699627.7790 1959747.6380 1248273.8580 321367.3979 2313478.8610 2920260.4910 669630.3084 1016867.5750 943559.2582 802632.6837 1813299.0440 1406148.0500 3047458.4080 2492514.9090 2665734.9430 1329654.1170 3154855.7090 5214564.0330 2535325.4700 TG(58:6)_M+NH3_feature6 TG 58:6 1234952.9440 1966076.7210 1956289.1050 1616342.2020 1161968.6880 2677236.0450 1940198.0640 1756991.5560 6188062.1510 786070.7855 622.6284 664.6453 666.8600 775.8775 807.3243 825.8633 2661163.4160 2591663.9960 2880193.9680 1813188.0660 2007784.3290 2679939.9530 3241959.0240 3187545.9320 1782462.9550 1856975.1300 2187729.7720 459567.6271 830934.8955 3104912.5270 1188119.7280 1120852.8110 3667788.0660 2915012.7240 2027023.0460 12971842.5700 2071358.8620 2254082.7700 1337186.8470 754854.3202 1891418.2220 561258.8640 1963760.2410 2988942.7260 17364107.2100 1580999.9320 9715031.3560 1512915.5190 3315386.0050 2539131.4030 951635.1390 1902333.6190 1030732.7210 1019826.0840 2172099.9290 1657817.4190 1516277.8290 1223251.0170 728896.6709 975983.9500 2799286.6980 731105.5380 4409929.7080 1346835.8290 2149238.9740 1217353.3180 2941624.9800 7257014.8280 2475718.8280 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature1 TG 18:0_18:1_22:6 770871.1524 1054323.0660 997497.5574 943833.0574 766791.9041 1517080.9850 1414853.7920 1293628.6200 1916569.6230 888386.5601 427.3516 421.7939 463.9169 662.8328 662.1271 672.3357 1280473.3040 1332457.7680 1239075.9040 1296962.9650 1148997.9960 1248133.6910 1348476.9700 1258319.6850 1316240.6360 1330365.2390 1602172.7240 663893.1029 755080.9552 1379164.4870 814624.1436 1068507.2170 1710983.1030 1583822.7750 1362731.6130 2607254.2630 1323004.5490 1386438.6180 1384323.2070 613389.2561 1364947.8410 582847.3181 1180980.6340 1444250.5280 3086122.2830 1003495.6780 2319597.1250 817121.2103 1566762.8190 1528927.7910 1068552.6500 896180.4287 652319.7550 486670.0551 1107249.5520 1440573.3740 909687.5424 940251.5137 585830.9592 520499.7794 1245172.9670 717767.2764 1645756.6140 1158772.6240 869561.1620 634439.4976 1522590.4040 1944783.9550 1203839.2650 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 TG 18:0_18:1_22:6 2009256.0710 4816251.5230 1928047.8450 2381249.2920 1591087.5260 6591760.7960 2680754.2140 4668085.8410 6020801.6630 2221112.2170 397.0452 400.8954 357.2011 420.2114 406.2690 414.3097 4745508.8350 5831468.4310 5308821.9910 5575741.4620 3734864.1840 5399991.0260 5660728.1410 3631812.1050 6353783.1260 4125071.0840 3314642.0840 1233959.5310 1449301.9650 6884900.5070 1888923.9150 3254639.2800 8348292.7880 8392335.3680 7668333.6140 17566062.5000 4145600.5130 5308818.3560 3921365.2020 1286658.8480 5635392.3640 1102429.4640 3737930.5520 6414273.0020 27809558.5600 3123862.0900 18932770.9500 2081358.2600 6190928.4740 3759197.0670 2712210.4190 3467890.2850 2178924.8950 923900.3068 4718547.3650 6925462.3190 2077503.5790 2244803.4300 1514347.3030 663220.2454 3028710.9920 2557850.8620 5993539.6590 2706387.9720 5256513.5600 2060921.8530 5675941.2950 12211536.9500 4857601.5920 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 TG 18:0_18:1_22:6 602576.8590 492875.0910 795898.1518 703057.2286 582304.9241 759491.8705 725013.5244 746981.7149 1220288.3010 468595.1544 327.2207 303.2206 315.1695 295.1541 307.5208 303.7352 918635.0764 916740.4766 897614.0195 1000361.0210 545843.9339 985464.3895 922001.2605 896291.8141 927404.1280 732483.7204 748342.8285 325058.8644 342903.7385 1063094.4190 581257.9473 712721.9878 1534700.5560 1274307.4790 888720.1948 2490437.4660 718459.7392 923842.6161 656657.1725 493949.4405 601762.3944 232508.9784 868492.4004 1040509.7260 3716650.0370 490689.3001 2340238.7300 502657.7461 1111591.4440 1150377.0250 420822.8363 746385.1039 566928.8196 387889.8840 615630.3819 900485.1484 348998.4764 449073.5533 224613.1680 304056.9487 836082.3735 560048.9098 1405412.7100 980484.5866 760056.8074 259232.9412 913875.8138 1244694.9950 764797.3348 TG(58:8)>TG(18:2_18:2_22:4)_feature4 TG 18:2_18:2_22:4 992004.7730 2070169.0530 1320250.0300 1415707.7900 1035737.5900 3208293.4900 2704166.0620 2733126.0860 5250643.5780 1036342.0260 333.4281 342.4475 359.3281 367.4180 375.7618 368.1891 2681263.7040 3298027.3010 3406261.1020 2896196.4320 3308094.8990 2738882.1190 2609556.4410 3357040.2560 3156513.1320 2453518.6280 3378487.1570 670223.0077 1004677.9990 2799780.4280 948759.2822 1740679.7760 4385836.3290 3942448.5800 3517487.4630 12307114.3100 2131491.8720 2869288.7210 2064991.4600 738395.9051 2376988.3040 664292.0902 2546370.0910 2803731.8070 22217544.5300 1351891.4980 12103166.2100 1266621.8860 2783822.1600 3323513.4210 1776251.9280 2095627.0490 1186895.3250 679145.7942 1652535.6720 4472515.6700 1435772.4570 1009558.7620 946539.1556 685889.3965 2281462.1440 1042221.2780 3821298.4850 2307080.1010 2390407.1390 705734.7791 3045044.6150 5546971.4510 2473202.6440 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature1 TG 18:2_18:2_22:4 999516.2631 1584186.9760 2042509.0350 652323.1866 1441204.9250 1230688.0410 1461623.5760 1559829.4000 2094874.7540 505958.9269 514.6991 522.2881 479.0092 481.0147 449.9307 468.1319 1510603.1560 1546091.6010 1555141.5860 1535793.6050 1484721.6920 1486124.2840 1626106.8760 1614294.8420 1433916.0630 1452516.8010 1576350.0600 577278.3212 390499.2594 1605374.5530 628455.2167 812622.0631 2113829.1070 1472369.1910 1498298.6070 3381116.8260 1031400.3990 1520032.7810 1138817.7450 765398.0904 1387646.8210 771694.3660 1581145.6680 1393906.8460 5219749.6980 1058682.8270 2768074.8530 963289.1184 1640097.3970 1857980.9390 1402997.3290 1170706.4560 1169646.5540 820947.5214 1462137.1650 1360310.9560 1296939.6790 1013513.3180 724141.2727 802919.9098 2074774.3710 540139.3096 1778535.2140 1223833.0400 1115687.0170 739836.4738 1298355.5710 1896144.3720 1253688.6050 TG(58:8)_M+NH3_feature2 TG 58:8 98539.0423 349840.5659 210430.0574 154538.4621 123640.9958 504416.0167 422277.7283 461357.1112 802354.7097 225933.3932 201.2522 197.8143 208.0128 328.8313 349.1996 356.8044 450160.4409 403480.0890 427218.0431 435868.3743 423803.2136 439206.8630 428171.7623 427058.8499 429747.6743 563875.9369 637633.3615 210756.4426 204623.2730 427705.8865 142946.0371 275133.1409 592885.2284 489401.5050 473382.0988 1052198.2890 352340.6264 505583.2801 386285.9412 136064.6813 374440.0284 112314.5266 337473.2544 436050.6701 1681168.9700 272324.7121 889545.5868 220022.0353 494593.1599 444030.5024 222294.3055 299115.4317 192093.1098 54179.3083 364617.4523 528370.1405 257174.7737 235277.9183 102976.3890 105463.8012 310540.3223 187821.7391 456224.8476 369481.7804 317862.2457 134270.0480 464851.1172 685469.9686 335586.8042 TG(58:8)_M+NH3_feature3 TG 58:8 53087.7334 135959.8071 85178.6877 77391.3850 53560.5499 112606.5860 110982.8875 131130.1335 218766.9244 64475.6863 163.5373 184.1335 197.2468 142.8378 187.6665 194.4035 179322.5024 133186.9113 130067.6175 150856.6654 147392.8799 149511.0254 136180.4414 147673.4623 164248.3811 140172.9846 133257.6327 45713.5933 40489.9232 158827.0783 57529.8562 106000.7956 222764.3767 148219.5034 126812.8829 379936.1045 107172.0903 155028.1305 88942.1456 26791.5413 131538.3608 39726.7278 116766.0370 142432.0662 731179.4891 73386.2846 342628.8250 61150.4797 132111.7098 175322.9210 87262.3074 107190.6812 79301.3043 28318.6912 102281.5994 155788.7395 77224.3916 68163.5980 50296.7464 31362.2123 131703.8858 58189.4698 179922.2009 107713.1933 119746.7044 57626.7407 124623.1235 195932.7379 123982.0399 TG(58:8)_M+NH3_feature5 TG 58:8 1125212.1050 1576784.1580 2007252.1730 1136243.4970 1256775.1360 1280471.8950 1520176.0810 1384949.8520 2071778.3300 900900.3181 1563.8668 1873.6054 1394.8578 986.3558 587.7784 603.1687 1407228.8620 1503500.0200 1572910.9760 1564586.7180 1586146.7230 1553805.1330 1495980.5020 1366863.6390 1550168.3950 1049054.1840 1347711.9290 496245.4015 652780.1506 1340282.9820 979357.7043 1256716.0810 2430205.9200 1902287.6540 1270583.8620 2924146.2180 935304.4751 1470985.3430 1302810.1750 963397.7570 1243430.1370 813091.9236 1571545.2800 1659215.4770 2149228.6940 1060884.7480 1968306.0240 945952.7696 1961136.2350 1901077.6790 1337451.6670 1239920.4050 927614.7434 940585.2219 1591013.9550 1021671.9940 1040725.3950 952159.3386 563458.8612 791026.4212 2068063.8770 956333.6855 1974660.5920 1459938.8210 1475828.4690 731858.5689 1622843.2210 2128710.8700 1284520.1970 TG(58:9)_M+NH3_feature2 TG 58:9 84107.9701 194452.8027 59784.3762 101326.6745 155499.8815 243933.4905 186705.4871 355106.5952 1009954.3740 130116.8994 272.3569 266.5768 278.0681 290.6934 312.7607 310.1920 357812.9698 346990.7600 305952.5065 362233.3590 370228.5688 225519.6857 462189.0207 340621.2315 313506.3421 566834.3233 589644.6715 147643.0689 103980.6977 258744.4424 91593.1112 142441.0679 673878.7586 380417.6266 311022.8325 2528557.8260 180916.4556 635342.1728 157597.4218 49742.8308 214187.6850 29104.1037 199396.1818 317047.4315 6205609.8700 143223.1841 2349708.2040 138807.0641 502316.2066 414393.0924 144286.0384 205504.4055 41750.2361 116867.8531 413390.9381 849136.9082 178376.9079 130478.2168 78625.4629 57861.3696 497253.2189 254932.5335 558458.2168 261076.5058 360145.1513 71094.5688 530208.4545 1076964.4860 379632.7936 TG(58:9)_M+NH3_feature3 TG 58:9 1012607.8010 2227909.0690 2184967.3660 1342536.1010 1367165.7010 2274228.2730 2159402.1670 2405331.4290 3865880.9320 1149908.9100 328.0808 369.6883 396.3254 307.8538 404.9455 419.9743 2371794.1260 2363960.2500 2300844.7380 2398300.4130 2392869.7970 2704233.9570 2347672.6290 2356884.5890 2256088.0650 2264526.5380 2120024.4410 860322.9560 826737.8429 3002690.7440 1059471.7270 2052321.7590 3759222.4200 3391825.8400 2494662.1460 6861675.9480 1872778.7460 2324111.9750 1915097.5750 996646.1620 2528893.7980 1012984.2480 2274862.2260 2296600.7420 11651040.0200 1387742.9820 6212840.5830 1194888.5520 2892680.2820 3011769.8370 1942133.1800 1790391.5440 1391879.1290 763803.7861 1992237.8710 2826283.8400 1619099.1180 1268016.2790 922887.1530 1134122.7160 2383271.5750 1212472.8990 2935817.5800 1955646.3300 1810129.5230 1061097.1560 2288054.2570 3462633.4540 1957938.8160 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 TG 18:0_20:4_22:6 226140.7637 498944.6237 793146.2079 246535.8598 532114.7128 137884.6676 476874.7857 433959.5814 847980.9957 241523.7263 519.2978 584.1123 625.0845 425.1244 558.0976 577.6682 473059.5153 454960.9161 501746.5294 457518.3407 429935.5521 387612.4591 453727.1518 469501.2160 505875.3196 351782.6891 342859.5895 159458.9941 120829.0309 400095.1731 239992.1156 280063.6274 485024.0254 449254.5954 352131.4340 920990.6546 279229.7388 173001.8423 323720.7815 196692.5643 331980.1471 276485.7291 558364.7762 425461.8919 1320239.6260 248757.6236 572854.7562 391441.9236 440288.6427 596939.4949 367469.8009 388487.2991 320828.7606 335343.1410 527294.1207 337563.9749 388391.2524 245392.1324 169976.0484 207619.0499 906232.7610 334386.3745 566042.8361 372773.4635 319453.6401 214587.8093 431343.3619 794157.7146 263464.4784 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature5 TG 18:0_20:4_22:6 205319.4283 194712.4892 344765.3622 200386.1351 237494.7908 44924.4264 160437.9368 208536.1492 75884.7601 167926.4304 1021.8968 1223.4361 869.8687 809.1598 483.7962 473.9843 139729.4589 133303.0943 142677.5808 136842.7302 147162.7771 148663.6012 145404.5930 97173.5565 160543.7802 144772.7116 175027.9164 149824.6568 202306.7811 93963.8101 118719.5927 180577.7337 174869.8862 92062.1194 87854.9082 140545.7688 118807.2795 141820.2032 187708.0825 165830.6330 152276.3534 136618.6912 80712.8993 122054.1354 102332.7857 163603.3960 68261.0030 131140.6880 193664.2566 135018.1191 248758.1405 146095.6133 192118.5971 200650.6892 151631.2520 58298.8190 201744.4079 210100.8352 145802.7861 163230.3966 201646.5585 127633.4605 139206.2552 88146.2383 83894.1700 128270.6503 93607.0659 72153.1107 109103.7160 TG(60:3)_M+NH3_feature1 TG 60:3 4273.2412 6847.5167 2612.9252 7500.8836 4960.6078 14208.6058 11921.6995 7725.8366 11225.2532 6592.1961 66.4099 57.4058 67.1739 103.5512 109.6771 106.5917 12167.3906 10726.6190 7695.6515 8024.0427 10524.1819 10709.1032 12133.5510 10471.7133 9653.8397 8009.4936 9219.9411 1879.8465 1083.1752 15750.0919 8117.0576 9991.1279 12758.1662 24930.3591 14157.1961 11609.7649 6203.6244 6991.7336 7038.5282 8803.0167 18974.0242 13885.8068 10281.7307 5320.9548 18618.9819 4470.8304 16116.9749 9056.5110 8988.4622 11180.8443 3739.8059 12050.3230 11105.0220 1557.6754 6937.6500 17663.2482 3428.7826 7467.2820 5470.6695 5734.8036 9200.6861 17913.8962 18851.2637 14856.6633 19374.8704 9463.7347 12812.2047 30405.7687 9396.1224 TG(60:3)_M+NH3_feature2 TG 60:3 504347.6312 969906.5623 464481.4988 695625.2204 397033.5173 1725285.4770 698414.3829 849848.2831 1654676.0280 631036.3972 392.4868 405.8721 430.7625 372.8489 410.6593 425.9397 1236948.9840 1374543.3130 1423991.7060 1339142.2740 1323535.6070 1375700.7990 1421611.3480 1247771.4580 1320643.5830 632399.3391 590170.7510 241536.1656 178176.2130 2215280.2090 619593.6465 1010479.7250 1344659.8540 3229795.5090 1858411.9230 3952962.9950 593339.1605 817908.9649 715227.3155 464131.9397 1606603.6010 291989.2396 898799.4315 878572.2333 6050072.0620 359813.0986 5856210.3580 426943.9738 1069856.9170 1170205.0230 652456.0766 1298743.6240 939512.6254 98720.6725 720891.1036 1994543.4350 585535.2167 281829.8137 512293.8317 568978.8441 1044729.3520 973405.1069 3126675.0940 1208617.1620 1517441.2910 920441.6513 1416029.6850 5169098.6270 1079474.6610 TG(60:4)_M+NH3_feature1 TG 60:4 535525.3143 851478.3205 490423.0412 615623.9150 399257.6304 1309200.4720 690692.2839 734282.4194 1604601.8700 652664.0207 225.5077 224.1384 229.9470 211.1565 223.7677 238.4541 1172317.2150 1204142.1800 1278340.5940 1318478.0600 1202501.4790 1225820.0590 1262828.0340 1227989.4110 1184164.1220 790341.8384 818608.9332 268390.8603 253002.3454 1818142.0990 576217.4979 1047347.1040 1561060.4950 2370922.7620 1366499.7520 2839395.3730 710465.7931 877346.7847 730809.7249 400088.0278 1204911.0300 253119.5154 895542.2631 981786.7311 4008424.4600 389271.8944 3672976.6320 484921.1195 1040853.7310 1232615.5440 612322.7762 1092915.1160 758203.1668 130270.0716 654410.4848 1816486.2760 542562.0230 296612.1860 535324.2847 534072.6537 1096558.4360 887406.0676 1536246.8140 1351426.6310 1493434.4310 932164.2100 1562300.7220 4169974.9130 1213078.6090 Ubiquinol Q10_M+NH3_feature1 Coenzyme Q10 2759016.5830 2982295.1680 2630718.7850 3844038.7470 2970039.2020 1973237.4300 3050929.8180 3874169.9160 2801626.3380 2786792.8570 505.4219 517.9479 517.6690 526.6862 525.3444 548.4347 2943940.6280 3138663.1090 2916943.9830 2901160.4610 2895684.7710 2982519.7520 3071440.6410 2945421.0230 2993742.8440 2022384.8080 2134408.2660 2384357.6680 2612369.8420 2524404.8590 2801721.8570 3170903.7930 2825511.5180 2052154.6500 3223773.8040 2576287.3940 1631488.0270 3104507.8380 3818449.9490 2856777.3750 3657078.6470 2808528.3610 2661794.2450 2042569.2330 2127356.2000 3541316.4440 2887600.5800 3429809.4660 4871009.6100 3738788.0400 4768186.0370 2704788.0470 3906365.4150 2579847.4610 3342989.9250 2948975.7640 3671856.2470 3538812.4270 2771126.8870 3425484.0440 3621123.0050 2602273.8800 4527561.8860 4077716.0360 2352551.5490 3084552.1850 2281439.1730 2543721.6760 3245335.6010 Ubiquinol Q9_feature1 Coenzyme Q9 11864159.3800 15933134.3400 13490493.6800 13905340.1200 15331503.2200 8893815.8250 12752792.7700 14882904.1500 13021859.6500 11403027.6400 1099.4474 749.9084 852.4354 1085.0639 960.6386 1093.7652 12745723.3200 12783966.1300 13543953.6400 12882881.7100 13268711.3500 13110185.0600 12821595.9800 13859635.7800 12210616.4100 10697505.3500 11586388.8000 12864470.0800 13725015.3300 12593452.4800 11955573.7700 13731899.8200 14463075.8700 10671100.8500 14014456.7200 12765404.4000 7264410.4840 13140510.8400 14223921.5000 12502011.5500 18980594.6600 12031284.2200 12640333.2500 11144555.3200 9835590.3260 15424086.8000 13803728.0300 14473404.0900 19342274.0600 16970583.8100 21269820.6300 12117362.4100 17507615.7500 11064115.5600 14474686.4400 13505299.9900 14785459.0100 15154849.6800 12616380.4100 13813007.3200 15054501.8600 10119092.7100 17409818.5200 18530510.5100 12329400.6600 13258943.6200 11097088.6700 11045752.1100 15117440.3300