#METABOLOMICS WORKBENCH efahy_20230425_000102 DATATRACK_ID:4000 STUDY_ID:ST002685 ANALYSIS_ID:AN004358 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat Brown ST:STUDY_TITLE Adipose Powder - Untargeted Lipidomics, Reversed-Phase Positive ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE Georgia Institute of Technology ST:DEPARTMENT Department of Chemistry and Biochemistry ST:LABORATORY Systems Mass Spectrometry Core (SyMSC) ST:LAST_NAME Facundo ST:FIRST_NAME Fernandez ST:ADDRESS 901 Atlantic Dr NW, Atlanta, GA 30332-0400 ST:EMAIL facundo.fernandez@chemistry.gatech.edu ST:PHONE (404) 385-4432 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - QC01 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank01 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank01.raw SUBJECT_SAMPLE_FACTORS - SampleBlank02 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank03 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank03.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_BAT 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SUBJECT_SAMPLE_FACTORS F9BEE1FA-E2DB-4BE4-A79C-99D585D6FD17 90265016907 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female raw_file=90265016907.raw SUBJECT_SAMPLE_FACTORS 0559B193-BED3-4170-B045-10A2B6441CB6 90229016907 Group:Control | Timepoint:8 weeks of training or control time | Sex:Male raw_file=90229016907.raw SUBJECT_SAMPLE_FACTORS D350D633-8D95-4783-99F2-BB8294D2EC32 90423016907 Group:Training | Timepoint:1 week of training or control time | Sex:Male raw_file=90423016907.raw SUBJECT_SAMPLE_FACTORS A9CE3E3D-31A0-4443-8A7F-8FD831D79248 90410016907 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90410016907.raw SUBJECT_SAMPLE_FACTORS CDCFA3F1-07ED-4737-A36D-15EFEC325AA5 90450016907 Group:Training | Timepoint:2 weeks of training | Sex:Male raw_file=90450016907.raw SUBJECT_SAMPLE_FACTORS FE012DC0-AF32-4C70-A4D4-F042B8BC4EC6 90420016907 Group:Training | Timepoint:4 weeks of training | Sex:Female raw_file=90420016907.raw SUBJECT_SAMPLE_FACTORS - QC06 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC06.raw SUBJECT_SAMPLE_FACTORS - QC07 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC07.raw SUBJECT_SAMPLE_FACTORS - SED_Reference_BAT02 Group:QC-Reference | Timepoint:0 hour | Sex:- raw_file=SED_Reference_BAT02.raw SUBJECT_SAMPLE_FACTORS - IPE_Reference_BAT02 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=IPE_Reference_BAT02.raw SUBJECT_SAMPLE_FACTORS - SampleBlank04 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank04.raw SUBJECT_SAMPLE_FACTORS - SampleBlank05 Group:QC-Blank | Timepoint:0 hour | Sex:- raw_file=SampleBlank05.raw SUBJECT_SAMPLE_FACTORS - SampleBlank06 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=SampleBlank06.raw SUBJECT_SAMPLE_FACTORS - QC09 Group:QC-Pooled | Timepoint:0 hour | Sex:- raw_file=QC09.raw #COLLECTION CO:SAMPLE_TYPE Brown adipose #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY IPA extraction with three cycles of freeze/thaw(with sonication) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY global lipid separation CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Vanquish horizon LC CH:COLUMN_NAME Thermo Accucore C30 (100 x 2.1mm,2.6um) CH:SOLVENT_A 40% water/60% acetonitrile; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 10% acetonitrile/90% isopropanol; 10 mM ammonium formate; 0.1% formic acid CH:FLOW_GRADIENT t=0 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=1 min: 40%/60% (%A/%B) @ 0.4 ml/min | CH:FLOW_GRADIENT t=5 min: 30%/70% (%A/%B) @ 0.4 ml/min | t=8 min: 10%/90% (%A/%B) @ 0.4 ml/min | CH:FLOW_GRADIENT t=8.2 min: 0%/100% (%A/%B) @ 0.4 ml/min | t=10.5 min: 0%/100% (%A/%B) @ 0.4 CH:FLOW_GRADIENT ml/min | t=10.7 min: 80%/20% (%A/%B) @ 0.4 ml/min | t=12 min: 80%/20% (%A/%B) @ CH:FLOW_GRADIENT 0.4 ml/min CH:FLOW_RATE 0.4 ml/min CH:COLUMN_TEMPERATURE 50C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE Orbitrap MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_RESULTS_FILE ST002685_AN004358_results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 90217016907 90225016907 90229016907 90232016907 90237016907 90239016907 90251016907 90252016907 90254016907 90265016907 90266016907 90280016907 90281016907 90283016907 90289016907 90406016907 90410016907 90412016907 90416016907 90420016907 90421016907 90422016907 90423016907 90426016907 90430016907 90439016907 90441016907 90444016907 90449016907 90450016907 90559016907 90560016907 90567016907 90571016907 90576016907 90578016907 90581016907 90585016907 90587016907 IPE_Reference_BAT IPE_Reference_BAT02 SED_Reference_BAT SED_Reference_BAT02 QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC09 SampleBlank01 SampleBlank02 SampleBlank03 SampleBlank04 SampleBlank05 SampleBlank06 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[istd]_M+NH3 362041.8532 296897.3895 389661.0142 199458.573 339872.4997 314307.4652 530878.5864 340773.1275 475971.3976 424271.8307 509333.0175 337247.7438 290014.1134 345510.8975 318474.3221 762404.2017 517628.0209 356127.1139 618116.7941 536609.4105 264077.2858 453937.3542 384833.0679 310273.5121 346257.5362 388548.9344 316764.0219 287421.8327 403916.9087 600808.958 417415.1264 402967.0263 523395.0735 512523.1549 385441.248 439269.0839 386102.1407 471423.5248 233608.1677 169306.631 147536.8334 121118.9099 113086.1799 373214.5664 366074.0752 339260.3114 373309.2809 317172.0879 373210.0467 364478.8587 369290.6696 218.4212836 245.9901051 300.5507116 279.2159908 242.1756971 218.4975724 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] 2343147.653 2542224.296 2341086.977 2428043.733 2528459.422 2295216.234 2418506.695 2310647.518 2577257.296 2460838.361 2600685.792 2483388.01 2611373.588 2497967.137 2385804.396 2398126.545 2399680.825 2420740.15 2533909.004 2358698.808 2463221.75 2295369.37 2518615.81 2461238.003 2235295.745 2472556.746 2447039.853 2461872.579 2439901.973 2233651.775 2456115.122 2413003.497 2225555.175 2407361.793 2339774.342 2454252.627 2536540.346 2355235.899 2405484.802 2549715.334 2467043.011 2337664.702 2392889.509 2431255.772 2673057.293 2428669.664 2460292.374 2612660.918 2567770.796 2436963.927 2517091.167 499.5712427 444.7697779 469.5198785 519.9397666 477.7773294 465.396112 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 292846.4523 293621.8671 288255.1827 305122.2673 290369.0019 309898.2438 339807.1422 321609.7992 342285.3133 314206.0843 342597.7557 303496.9544 305227.6034 321022.0548 310959.5173 313164.9835 294394.95 326910.1295 334454.0854 301923.0793 309029.0277 313326.5956 321570.0397 323064.6499 347272.5151 308896.5825 324873.9335 280206.253 331168.922 329974.3001 340802.8263 303978.8055 337930.6794 337527.1048 319253.9525 316779.1977 339391.8393 337049.3856 334242.1142 311619.6327 283357.8144 272870.8716 287057.1449 335365.4601 332852.1902 320976.7781 296150.4093 358321.72 331454.0667 315111.6038 333121.5977 250.2138914 224.9604245 235.3176994 265.0519096 243.6232697 237.3727539 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 155364.3895 177129.7682 166132.0055 185657.1932 162289.4454 149087.1924 166125.7392 184709.8761 192698.7858 163303.3936 240688.826 165846.8928 177163.9909 161506.1236 166983.6064 151181.149 176259.5454 206535.1023 176725.1396 167849.7545 191017.7492 155373.2351 185344.419 144929.6809 156701.2054 167214.6284 170848.5793 169961.3549 167850.835 156179.1588 196690.7221 191600.2269 182578.1134 196527.0029 198383.4641 173353.8591 191681.1788 208278.3818 225626.67 192270.0308 203006.7435 198379.3716 192984.7906 189306.8864 180381.953 190139.744 180706.2987 194119.5511 179895.9673 187867.0084 186264.9968 502.025322 488.1636424 544.416571 610.8013822 532.6564098 585.3430989 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 105243.175 103528.4145 96392.571 104004.698 97741.41045 103984.1622 97496.89686 95989.44436 105076.875 100199.5001 102657.1369 96512.94132 101579.0588 99045.70638 99360.09598 103555.0317 105798.9028 102189.1582 95126.44578 97033.33271 103280.4597 95764.39107 82729.26277 95841.38965 93137.75468 97344.72671 98970.15491 90878.05691 90101.07391 96053.26076 103807.6573 95555.45057 102132.9891 100462.4824 109043.9413 84633.98554 98283.8938 104228.7666 103292.173 116386.857 122445.8545 112608.0976 133357.0327 98072.41455 95070.0423 107854.6111 98264.08227 102766.8297 95955.51311 101819.3468 97490.75945 379.0448477 832.6897921 685.9505122 1299.928086 1530.633785 1372.653096 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] 40134426.54 42569511.31 43977685.3 42356888.21 40688741.75 43096451.78 39682975.68 38621458.46 43474739.09 39313556.83 45588539.61 43879628.06 43053873.99 41941691.49 45219433.23 39086500.14 43697016.36 42748934 42218562.87 42354701.74 45831032.86 42912309.92 34345128.74 41286424.22 35509938.04 41272412.25 41946486.14 44924376.23 49866444.49 37882965.85 43502964.97 38863449.27 39366312.44 43218756.87 41303687.34 35929394.94 43282193.26 43058665.3 38463801.17 43212686.08 45742016.59 45424019.59 42394987.49 40804542.63 40016953.35 46446755.51 44740134.27 40300841.95 40364997.03 39639924.67 44584606.66 1396.148743 1325.061331 1515.062949 1493.124814 1504.390308 1439.086638 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] 1647930.993 1432253.916 1397874.174 1539669.279 1660472.059 1549910.961 1564804.034 1596766.709 1574261.543 1437372.067 1616173.306 1558807.906 1595535.98 1456124.902 1509924.05 1442906.217 1619826.065 1659269.761 1548543.921 1437561.579 1503128.911 1433617.76 1434150.283 1430258.986 1443685.55 1503454.224 1588854.152 1406748.491 1609772.968 1476899.123 1742028.498 1554799.337 1440521.086 1615217.496 1597527.006 1431790.081 1499438.78 1663401.453 1792298.898 1670717.974 1548135.623 1618152.699 1644350.94 1546241.493 1459329.874 1590521.409 1489403.683 1538478.358 1502852.743 1568454.129 1496808.619 778.0059506 1044.545368 823.4829632 1376.794497 844.1980934 3305.25038 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_[istd] 148942.7937 146191.8952 147106.1919 170067.4905 151511.6159 148600.7086 146073.9453 153287.7146 162455.6237 140988.2548 162653.5022 152946.1869 138058.9682 142109.6581 153863.8891 144934.1548 157773.8345 168103.6003 162057.1391 140742.2523 165180.3677 144668.1446 145775.735 143849.4399 135251.8728 146502.5813 144570.7028 144179.2114 141299.5578 132125.2138 162412.0266 170543.4826 149855.5475 148306.6873 158332.8508 147840.0757 143209.7144 155167.704 174777.458 156950.8117 173582.2215 155337.1446 161370.8457 159724.893 152725.6526 149433.0959 152268.7207 158372.8705 153032.91 160000.7888 151716.9945 246.9932608 228.110391 255.4969571 247.2154415 223.2773798 247.9851373 GTInternalStandard_cholesterol(d7)_[istd] M - H2O 67712.42939 53248.44057 68354.51833 35898.89798 63968.5133 54846.39863 59368.36322 53450.86999 42074.57418 59107.94997 32164.82072 55584.78242 50357.15743 53132.34928 63391.92338 76247.38699 50917.53906 29276.2178 49971.73817 47259.79066 30657.75528 70970.60791 49299.9208 63817.18859 71465.44761 37572.9659 47628.95703 64769.78386 53663.33151 62899.07613 41034.57492 33142.62319 41461.00589 41239.57988 34828.37169 41317.67645 45557.87579 35665.33856 23117.39827 36649.56198 37882.81326 45589.13823 44002.25641 51267.24987 39282.30236 48436.22911 46201.7071 49818.23221 42491.83038 46844.21258 47527.55348 157.6883661 157.4124716 181.3409323 147.9097797 131.9266954 137.8005721 GTInternalStandard_CE(18:1(9z,d7))_[istd]_M+NH3 97425.93988 100792.7411 97729.90878 102693.803 126081.3538 114073.1631 153156.7554 133703.1911 112682.0161 128079.9394 150574.141 114333.5684 106627.5348 96023.72116 130900.4399 200004.8178 146360.0164 109301.5302 138079.3015 123934.5023 86503.5305 112390.5619 117802.0837 96424.42878 143696.5618 95907.4518 95128.76019 64198.18725 86236.27066 148830.1252 105138.1041 105629.8892 127454.1036 141805.4091 108015.532 113219.6764 136348.7065 129667.8981 101130.0308 57272.96083 70005.29577 65818.11766 116622.7064 111057.9797 112324.7986 106302.4522 93615.37094 93851.58789 115422.2099 115901.8451 106196.0931 207.0508384 798.5501405 561.6954143 208.9461481 1096.431944 859.2539048 Ubiquinol Q10_M+NH3_feature1 994565.0288 1352687.347 601687.5861 1350002.891 904385.8788 751354.051 697932.3846 798858.4046 1189065.122 568185.7415 812730.7694 1058495.997 1069751.802 959893.9161 752317.1675 638531.9998 857842.5318 1112434.837 904859.1202 829226.6325 1466571.332 971106.1204 1055031.042 560014.1775 412138.841 1185533.198 1290895.119 641203.4711 1378168.577 896986.0897 1323093.657 1253075.881 941767.1278 852796.9369 1209515.17 1142207.244 1200482.498 1268969.552 1973869.638 776167.4012 800487.0464 599049.2098 615568.9808 925652.4231 946832.9728 969603.4822 960764.0836 918106.4546 958698.9607 906894.8274 966217.6317 238.7439597 222.1161815 216.0336249 246.7152913 248.5598781 232.2653366 TG(60:4)_M+NH3_feature2 439599.3853 887080.9935 401667.8992 470952.8019 596560.4467 498140.9492 243205.7481 241119.7588 404833.5878 154094.6308 260164.1002 936918.9346 1061213.908 852973.691 509841.477 502399.84 216973.1811 469824.7891 358107.3261 253966.8565 747964.795 760194.3473 678337.3222 492132.4309 338184.1034 693663.9704 1254651.527 501678.9358 1601034.288 1020898.354 311981.1325 508667.8717 622977.3383 394747.1374 291574.1647 358338.863 386791.2584 491593.7262 362069.1447 541198.5278 457469.7029 304141.8956 368846.7418 500904.1719 452323.5799 538896.0448 525929.1757 505894.4109 628485.6742 426290.5975 467545.3242 394.1669895 443.312782 470.1238319 1153.780914 487.2685354 465.9952118 TG(60:4)_M+NH3_feature1 8815956.381 12333852.83 6271509.251 11040909.76 7312802.972 13722812.91 10274265.8 7412920.635 10659994.08 5525063.396 5400797.134 12569307.26 16145994.86 12282403.94 7478985.22 15096686.89 8228016.246 11376402.86 11214407.22 8021391.92 14070150.95 10953067.04 10822884.19 11835737.88 10339675.9 13249519.47 16392021.07 9580430.239 16469235.47 16629820.53 14612926.86 11175136.55 12395137.5 10366288.45 10419363.04 12014581.09 10230276.99 10427717.15 12903876.96 12861128.9 13182280.6 10037411.12 11349293.71 10797685.24 11225369.49 10844490.54 12578370.61 12526441.62 15497664.78 9563959.495 9485714.075 470.0802346 456.5163443 538.7543335 1510.35377 548.0458633 509.6392575 TG(60:3)_M+NH3_feature2 31599606.63 41445001.96 24840284.79 37122284.35 23742178.02 34561636.98 23649078.97 28484932.65 37584965.35 23269294.56 20435647.29 31550788.43 34703542.61 28285541.28 22984859.72 27122814.7 27058075.88 38837726.56 27595858.64 28344777.52 45132958.36 31493499.29 34283854.55 31241994.78 23545850.82 36304976.04 21644057.56 29684380.95 43974273.65 31465592.7 40550572.05 40062923.52 18614950.27 32216364.39 19664734.07 29276672.27 16414407.48 39099192.26 36891677.4 44511603.23 48525147.09 34369647.49 45136776.12 30263889.09 31801199.82 33900676.69 33439256.34 32952268.57 16587710.1 35590009.89 36887452.03 1907.66232 2022.037628 1984.592367 2554.456784 2283.082278 2621.592171 TG(60:3)_M+NH3_feature1 89377.12398 80737.93318 134540.1652 109378.7941 79721.82628 71827.24893 95029.08074 108481.2842 78389.30474 88466.06082 71792.38344 89437.4367 87131.15585 83537.03124 70056.05984 97193.27561 117288.9671 87252.58767 89215.12659 69985.74544 95443.7975 93360.5846 114515.935 103290.0926 84236.41241 41095.0163 108320.5513 68034.35193 82439.15479 93280.30311 113180.7741 100796.0527 135124.7687 109633.6564 104043.4382 57682.52736 85494.29993 81161.47189 87939.5745 56978.56834 82274.00542 57884.46228 114118.7464 86983.76832 81151.61208 90253.36291 79330.40569 72091.70315 75848.82914 81757.6519 98517.92236 72.80650605 77.08560851 84.68733007 106.5925337 103.3761794 117.6676488 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 5013409.947 8025119.536 5933210.342 5170761.918 4482306.395 5612607.139 1215816.44 1465908.933 3763162.878 682646.7704 900618.9572 6037123.189 5745015.339 5172170.652 6249958.83 1215708.2 790963.6853 3819418.945 2673381.883 1385139.678 9897992.834 9619520.854 9941562.865 5703950.403 4688628.106 8268357.391 9845842.618 9570929.691 4921093.264 9678753.649 2201751.993 2372953.675 4643932.751 3487745.461 2732779.185 3926934.527 3837477.451 3810551.543 2895740.301 6045804.161 5473767.142 4247846.987 4330743.605 4408154.5 5179760.536 5088884.798 4841768.665 5814550.518 4450190.47 5630730.511 4157469.497 593.7403553 673.0938069 634.334201 689.618786 594.9437894 628.7882456 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 1630965.342 3323816.286 1781524.159 2060710.843 2714836.069 1579372.23 954473.8671 1393729.217 2383141.495 610802.6259 1776960.903 2801534.301 2651092.032 2648189.84 2566757.405 1991966.828 1639430.155 1123726.34 1704246.473 1587071.852 2732951.33 3284997.254 3257801.298 2521387.629 2279457.491 3909176.506 3984342.093 3425283.845 3776825.605 4855168.434 1734645.575 2089159.475 3042646.046 1604671.4 1992155.232 1742728.786 3322988.263 3222718.517 2675393.655 1975409.791 2039601.997 1548674.24 1221911.973 2478754.525 2233686.368 2000118.094 1614079.718 2054063.552 1697921.18 2816763.56 2230496.503 316.4290747 327.5788816 357.9519241 366.5188352 381.9514265 358.928166 TG(58:9)_M+NH3_feature1 3430319.216 3997046.882 2941588.485 3861103.36 3508969.276 3828837.911 969135.3307 1040035.37 1980590.911 959100.5228 1144597.005 6004647.84 7588843.216 5679291.656 4515937.561 1562856.348 1113511.478 2556722.612 1633077.254 1349713.507 5765265.46 5348144.338 5458736.291 4200457.124 2929312.15 4899980.466 6520004.215 5025158.268 6177379.251 4555081.462 1385808.548 1884239.714 2327847.432 2437450.306 1388787.037 1996125.492 2099027.471 2405783.004 2237274.535 6083919.734 6236588.818 3794661.415 4046979.783 3494263.094 3384129.046 3628853.422 3437862.618 3248177.75 3563878.852 3353492.483 3585159.241 619.37477 572.6421626 624.2601053 658.9706412 693.7519952 596.7820579 TG(58:9)_M+NH3_feature2 30184514.5 33829677.67 21821795.9 29309255.14 26167176.87 27405201.39 5541966.272 5242049.015 11258077.97 4118888.04 6589826.715 52371193.86 65944348.11 48275833.1 37896228.35 11022142.58 4766295.01 13602277.95 8767031.366 8300363.614 44131465.18 38668463.9 38010058.01 29063821.57 19619210.47 29160668.17 42610945.36 30989281.63 40407244.99 36926984.24 8721826.765 11782438.47 15676674.11 11670439.8 6826439.172 11310685.87 8326149.903 14086387.05 12506247.76 45506030.15 49751762.48 26945366.53 28808100.75 24177464.95 24337041.96 27761307.62 24435804.43 28571218.81 25693310.82 23922840.55 24297686.72 710.155011 705.4290363 777.2178067 923.8058641 816.5681518 800.8054662 TG(58:9)_M+NH3_feature3 43450874.45 48380134.65 39683547.46 49145605.25 44390327.8 42362654.95 16457660.2 21014663.42 30905867.4 16284900.55 19979093.75 51432503.93 58249040.77 55303198.66 47194519.16 24503852.3 20396834.78 32486785.28 26009464.19 23756094.61 53948686.14 46417296.08 54810637.58 45005945.76 32636469.72 46967735.3 62696277.49 43000100.82 54256977.92 48193696 23403713.13 29152766.23 32919879.24 31715460.53 27409309.53 31904717.37 30307897.95 33357940.81 34720460.17 45913759.36 49428558.07 39206872.24 41913415.75 39220128.36 40794671.82 39400095.84 42695602.07 39247423.07 42320571.39 39974928.65 38728472.8 422.2444724 467.4051238 462.4680431 501.9913168 450.8787004 457.6097702 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature4 92841249.88 112733445 74307351.09 99294599.97 76292252.27 89351799.95 21828210.96 28101619.52 52048634.67 21901445.06 30772802.8 127316776.3 142058885.4 108251218.3 103562245.7 42160020.75 30656959.29 62023566.34 38923906.66 35047229.61 136936034.4 129818549.5 117801283.7 99363119.17 72455413.2 111357282.8 127933334.9 113546058.4 119417440.1 131252652.4 42301992.05 53440113.96 69819195.64 64853530.44 42857303.7 56556126.55 61334268.18 68254775.41 62259286.11 126256699.9 125384088.4 74531318.38 91056732.71 83000299.28 86701536.74 91500605.91 95668725.63 86591306.15 84112183.22 89229188.93 85571249.2 1483.762892 1659.444772 1773.167465 3455.829305 2071.407169 2493.888489 TG(58:8)_M+NH3_feature5 17516942.82 20303632.67 14655256.26 19957384.39 17919222.44 14524451.2 7576234.028 6785507.216 20641263.28 6154650.261 8400272.478 26971668.35 28349120.02 27618920.11 19345574.45 19385192.75 8480286.038 13381153.47 12030865.16 11548665.08 23731350.07 22223632.43 23534811.64 20933404.18 11567691.37 22329899.05 22608647.89 16875912 26287566.87 19547097.89 14130895.34 13234365.3 14037496.12 13442261.22 11389568.06 12783488.5 12775482.22 16529581 14397248 20378856.59 25385339.93 18378695.22 18809806.23 16966686.23 17316177.87 16423522.72 16168308.2 16600786.88 16593381.46 17776837.45 16585252.39 355.0986404 417.3453058 390.7795088 407.8487652 350.9333 434.449596 TG(58:8)_M+NH3_feature3 4558074.337 4795471.223 4088373.244 5182333.886 5247134.224 4760108.789 1598743.936 1981773.949 3156469.551 1483373.359 1990718.611 5782903.964 6526460.717 5656741.409 4860133.003 2567022.976 1823302.743 3503753.058 2446910.569 2114179.295 5331574.006 5499702.395 5891443.467 5353757.762 3285505.626 4856165.103 6001240.913 4603709.168 6223979.794 5537281.968 2298675.003 3111005.886 3772750.569 3365163.955 2546620.972 3472814.449 3398633.778 3682916.219 3838797.579 5053094.96 4731713.602 3864840.852 3628538.664 4134463.744 3993375.812 3906253.707 4849720.146 4290825.21 3896103.97 3939824.804 4254180.209 379.7837997 378.6143106 413.4115393 377.1061663 315.6102814 341.7438739 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature2 193972.1448 194897.2425 269476.3114 167510.0321 252835.8729 216052.2355 1539004.211 327212.1034 94535.47229 1475465.671 2120601.621 159752.8109 136172.6008 155830.8302 209447.5661 3437491.522 1896875.718 235893.2727 383620.86 563712.9052 145775.5434 228361.9685 174617.9293 218410.7644 118629.7264 197561.0401 153407.8976 224265.6585 186930.3949 306977.7085 739926.5494 439958.8013 143279.7598 208609.6219 792072.2637 150519.3077 614360.4824 275977.5759 159776.432 185989.5902 188027.621 176215.8776 201582.2144 218078.1597 239079.5374 199712.8703 217622.6981 208931.9551 233697.7043 224603.6876 216615.1123 87.80757828 93.42440177 104.9753616 597.7884102 122.5535258 110.6929114 TG(58:7)>TG(18:0_18:1_22:6)_feature4 102934681.8 114060366.6 98155357.93 118763892.2 119565557.4 97993532.34 44287285.86 52896342.44 67171792.22 40186566.7 53443074.57 111596170.6 111737044 102776670.1 107449497.1 71216347.48 53379833.92 80465416.49 68124193.19 53484369.75 131178552.9 119146467.3 120141751.1 118727534.7 92474319.06 125095986.3 127610620.8 123109029.3 133254634.6 115755858.3 57530919.23 78879560.68 92809608.23 88699092.02 75363402.81 87545324.94 86054827.35 101865763.9 94834288.09 111999420.6 114272528.3 100656800.2 101187548.7 100502663.7 109260953.4 94118114.53 68975827.78 105455623.5 100859696.7 105678041.8 95672012.72 1223.051168 1295.371454 1226.165851 1383.082474 1089.317139 1231.51453 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 12845810.13 14921054.15 11323074.94 12762108.62 13243495.27 10770717.22 6892730.332 7053918.739 12797788.4 5285789.397 8165780.065 15645678.6 18898140.85 16670009.94 14453694.38 9776482.539 7767017.326 11620449.84 10564882.37 10489869.33 15502912.02 17544808.83 15242053.11 13176690.33 9955845.066 15145304.1 17952474.2 12594248.11 18353799.06 15366822.99 8798382.127 12502409.71 14248305.88 11920274.08 9627374.491 11515886.87 11084451.43 12891017.53 13435007.18 14642980.35 14190160.72 11086313.2 11005664.59 12680069.36 13167494.61 13155474.63 13133549.34 13606001.49 12631859.75 13146747.68 12850679.34 350.9729997 367.2623742 361.8129664 377.8843863 1581.809482 455.2491257 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 462032.5375 843511.0656 390804.9956 440119.5071 672222.394 545884.5252 390087.7761 300100.2939 447299.0426 269760.2993 265952.551 461765.7548 464531.431 631760.8841 727178.665 700950.0413 233557.1516 685360.86 432378.8879 359460.0535 415847.1563 637478.1564 396090.1041 376425.8945 339106.0328 463082.797 477886.476 480250.194 456737.4732 516103.2227 171119.2502 407448.1335 510427.9546 394497.7193 485898.1743 487785.9822 466915.8629 477515.6255 404844.3243 448982.0421 296760.0702 377698.136 407562.4215 320817.0376 537998.2402 392471.6501 471940.8018 552846.6429 385895.8992 473169.355 515965.0973 545.3063242 1356.6925 1296.022731 315.8520975 616.8586417 616.5065885 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature1 5103205.157 8429680.852 6048356.594 5235157.562 4574331.937 5724196.365 1449784.161 1577801.173 4092708.343 827918.5144 1015500.044 6109905.436 5928207.607 5275310.371 6330999.311 1503830.813 912866.7082 3907217.5 2768406.539 1534229.051 10124004.44 11155906.04 10201788.24 5809545.264 4843121.689 8369919.255 10143196.41 9809265.774 5084478.547 10187205.63 2409219.279 2507730.726 4293262.172 3670450.358 2881847.255 4103658.566 4056400.152 3986219.35 2986014.852 6188975.943 5590801.648 4303698.771 4402520.874 4518783.345 5270966.283 5218959.078 4938166.045 5932760.53 4549140.511 5736050.955 4266405.222 699.4379302 767.5911865 751.9486395 872.6609399 757.7562248 736.6026297 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 2526020.554 3175088.298 2179960.308 2563698.718 3058260.618 2247591.535 1301157.891 1379045.871 3303170.385 1012531.722 1672005.523 3128087.753 3873834.252 3641979.142 2877244.295 2011700.7 1518183.105 2660082.974 2420229.958 2663586.336 3715611.105 3653658.966 3451118.737 2857396.093 1868656.137 3836163.745 4030781.595 2904639.951 4279143.173 3898845.408 1829790.342 2627250.136 3333401.767 2539557.324 1998429.481 2627720.651 2826499.971 3164964.574 2718510.639 3412910.121 3517967.18 2267138.57 2413482.576 2745833.089 2925779.858 2749910.676 2812621.503 2851952.261 2806073.219 2812209.459 2800813.194 496.4093657 517.9907061 536.0520479 556.8952864 479.6014132 564.4166344 TG(58:6)_M+NH3_feature3 56169.36353 58495.63176 154535.5097 96080.70881 173427.7257 150066.9059 107517.3314 79577.84449 57457.06909 77370.69997 76167.36495 119967.8598 127358.7101 72145.39086 149081.8325 98449.24649 88211.00984 70519.80445 97945.73625 70769.87112 122339.7295 146679.5922 138625.4946 131318.5796 66205.29672 115400.7638 185507.7241 122310.7908 163479.1827 91778.77276 134102.5316 90514.70995 84561.47854 201914.7391 71023.26902 90832.22001 93700.42305 75155.53014 136509.536 108071.6306 71354.79022 103947.6168 86901.16656 93578.31697 163760.363 139520.9571 153934.0946 134352.2881 140789.1898 111008.2646 135228.543 236.8030399 450.7355243 363.953469 209.9166947 272.7380198 321.0363263 TG(58:6)_feature4 92300991.07 101833668.7 72387305.33 62118297.34 102288788.3 76450675.21 30135482.88 26335580.73 67121185.42 29828750.02 45494218.75 89313764.06 106036294.4 96450970.32 92188426.2 53029368.77 39177869.47 56301069.84 44152033.51 41845274.58 119051120.2 120907987.8 111709794.4 95808428.54 63459054.61 120816302.1 103995100.2 93532189.74 133068377.6 106346740.1 55101706.99 69545353.66 83308548.19 73000227.69 55270624.52 61535594.01 73144153.01 89233942.11 78622619.06 91741322.95 94487429.23 78159243.69 67706636.24 84983205.92 82630172.49 75706756.25 88496228.61 88614561.61 83832259.06 74526192.53 86560065.75 1428.801979 1341.430861 1407.070423 1427.894657 1334.12009 1378.162478 TG(58:6)_M+NH3_feature2 1335000.052 1124797.109 1371134.745 956904.3213 1279856.012 1225570.564 596151.7307 1755999.623 1458730.185 2803587.666 2645996.227 980306.9683 794596.0988 1251003.716 1346973.665 5126070.079 2781001.146 1461029.505 2719451.621 2456054.011 697372.7267 1244853.249 1324586.579 1240546.871 1326436.241 923791.1448 793379.2384 1098236.558 1134226.779 1641597.33 2101649.534 1391212.12 1627723.477 1775759.741 1949495.945 1406017.412 1491629.279 2058996.832 1166588.16 629520.208 547055.5402 758407.3414 752756.3994 1404708.743 1175267.009 1301475.11 1262291.393 1454200.333 1180503.91 1185263.343 1425385.685 248.7748121 205.3161401 181.3558068 450.7796703 236.8555171 256.9138971 TG(58:6)_M+NH3_feature5 24919647.25 18087120.95 20852806.1 33012596.88 22939999.84 27964886.07 10437921.98 9288676.212 13316547.8 9418917.483 14840713.03 27442637.82 30756166.27 17808286.9 21778251.62 19877278.06 14932295.73 20496701.82 13283122.75 13619052.79 19242794.95 14280449.2 20335011.5 23083983.96 22857271.56 33131133.44 33903916.82 23838685.85 26270580.63 14353393.65 55974545.29 19335936.29 20613573.39 14182622.2 10550513.41 24525929.3 24188625.42 19026220.28 25444082.35 21318156.7 22004399.06 19436234.05 22075652.99 21353075.95 23279657.44 27944411.67 18906609.68 16042716.38 22090029.99 25584361.05 23139048.85 463.1341498 453.3417597 468.8222774 390.6126088 405.5242806 385.1949913 TG(58:5)_M+NH3_feature3 193460.1039 172292.6802 184725.1906 133164.3055 259967.6067 203514.3374 142442.829 307017.9847 277431.4835 512437.6326 382022.9612 159635.6612 129262.2383 157833.6743 234793.3156 387671.0962 459864.9438 216798.0297 345723.1334 328319.5783 40576.92257 230957.327 195411.3689 250047.8806 229677.7578 216224.3026 159763.2454 129956.6429 203688.1689 301884.1318 266168.7507 257856.9943 276430.2246 320069.1563 323817.216 344934.0904 311907.87 290430.5554 234833.5732 50670.66572 81669.09706 36093.3723 118918.0762 217767.5412 222163.8596 198168.8471 220465.9182 195791.8263 186512.8269 234383.6127 225050.5858 152.3928139 154.0890315 172.1775315 205.0617797 207.4816412 221.7441522 TG(58:5)_M+NH3_feature1 6525823.302 7021527.269 5317707.913 5161074.749 4625761.935 5613057.821 2435325.39 2103940.599 4332318.532 1693840.688 2581196.765 7677017.756 11284034.16 6574693.165 5907417.332 4289663.311 1861259.826 3593290.421 3027210.273 2490624.059 7885530.003 7757598.022 8469119.712 6491285.579 4583326.746 8216372.609 9464110.816 6413714.137 8878912.79 7718887 3448161.075 3931764.6 6072407.184 4758633.783 3492378.905 3752864.601 3878173.239 5362278.054 4340568.085 6698177.658 6605095.055 3643281.659 3133596.561 6251239.403 4536360.336 6160684.858 6192837.561 5334895.511 5095647.451 6136723.627 5687272.399 617.5813781 662.4338693 627.640939 707.1844915 611.3224504 662.7964582 TG(58:5)_feature5 37244199.25 41431903.04 28979312.24 36093188.48 40510772.2 32219786.31 13543757.78 18096435.81 30435746 12348985.1 18960477.36 33628790.36 35354585.96 30816873.85 31659695.14 22564600.55 17841929.56 25386885.19 20138864.91 16909902.08 43272232.01 41949083.38 40009936.65 33827150.39 24072618.25 42003000.03 43244778.65 36687912.67 43196490.59 41147910.39 24505887.71 27197757.47 38229680.56 30677027.98 25356050.18 31088192.3 33608758.63 38484615.79 35759176.28 37749737.6 36269090.55 26702678.81 31631353.57 31151254.77 31690764.89 31961704.3 32433395.38 33988801.24 31259280.18 31009345.27 31586026.81 979.0474343 1020.926293 1055.81374 982.9375989 909.3538517 1109.375514 TG(58:4)_M+NH3_feature6 7038927.541 7364295.068 4807193.496 6863337.254 6090832.343 3863097.176 3600298.223 3812857.151 5251581.997 2544857.182 3659727.734 7329900.65 9291221.32 2785291.005 5710185.634 6205323.965 3482425.555 6083351.442 4403868.548 4012060.967 8583214.59 7578855.337 7840551.922 6049985.384 4856543.607 8816028.596 8807786.088 6412288.014 8584258.585 4073828.383 5638218.183 5244617.216 641221.9287 6338213.56 6444802.608 6109556.786 6619919.589 8492370.285 8561995.985 7012508.228 9088919.687 4888078.596 6387604.863 6945536.79 6176565.308 4322254.089 6955724.275 5530141.794 6316790.442 5358038.618 6915703.973 787.5844327 834.5429482 791.737711 1194.988889 931.9690323 936.4571947 TG(58:4)_M+NH3_feature7 6747424.252 7107440.605 4637560.946 6652957.1 5901752.665 3568976.729 3503067.358 3679627.693 5084277.853 2447941.862 3413439.401 7165387.503 8881195.495 7813241.283 5470823.609 6026433.106 3377451.409 5922930.067 4297711.918 3913087.513 8285977.273 7281269.44 7500460.273 5732442.124 4590075.596 8454672.151 8545450.928 6097413.427 8254366.474 3721332.369 5556674.926 5102620.002 286773.2102 6169269.626 6324200.67 5933886.084 6434616.789 8337804.333 8345390.764 6714882.796 8686297.887 4609472.477 6007155.011 6703889.517 5951709.666 4159976.896 6711598.967 5260821.679 6046226.358 5160712.088 6713174.15 254.4087183 232.4156197 279.322069 2672.544041 674.5081601 294.5654435 TG(58:4)_M+NH3_feature1 75005.20478 42982.76856 46814.90402 57869.01931 103582.628 94284.05348 138137.1882 85445.18533 109900.132 87744.04948 162426.3141 39127.29509 68702.34841 80145.80673 110058.6465 131143.705 159690.1132 116479.4028 132760.9445 131863.3331 54099.56283 106811.2172 80600.32633 94193.15502 84234.51974 71601.09235 66325.18527 52455.63491 60666.21522 88590.57092 105780.5781 126964.2719 121027.474 130948.984 104100.9174 128882.7364 155379.6853 100551.9381 103696.0516 39903.3566 40286.45048 57992.95242 78297.70633 96770.0138 88435.73044 100535.0573 81955.18091 77229.03379 87889.49034 124975.4841 77567.28867 161.8711318 159.8657562 163.3224396 153.8349221 151.1902767 147.5466182 TG(58:4)_M+NH3_feature5 5628360.983 6508422.288 3539387.722 3862410.619 4673929.901 4006511.359 4217885.528 2593482.426 5615042.06 2654999.811 2642782.72 6239733.069 9658099.106 6995050.189 4351601.249 6289714.344 2907657.422 4074773.873 3942744.776 3094598.626 6908705.257 7562565.432 5856706.656 5178745.694 5517994.694 5702164.111 8819207.797 3936867.996 11781757.88 7491400.202 3220208.397 4855425.814 5825953.609 4428398.312 2740594.896 3506369.896 4324402.987 4350986.152 3472938.532 6168097.067 4824503.328 4006020.623 3259451.4 5593863.554 5227429.749 5435125.284 4176755.552 6014716.727 5662560.346 5607683.694 4877033.16 357.2173601 311.0831626 335.9155445 3938.983236 718.0094925 359.6273738 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature1 638401.9235 580335.8882 567703.5394 507749.415 599763.3656 613678.0372 870655.8408 799608.1044 654037.1499 760070.5982 788526.0492 587235.2872 450474.3133 601967.0757 599062.3301 895149.1216 871443.7428 624034.4998 801954.7916 650331.4183 432714.8555 648893.761 546187.7946 589347.3876 714860.7787 493631.4518 557276.3755 579101.2357 448030.9041 644319.2342 733641.8378 691613.0031 842145.6455 757369.6196 783478.7279 609067.6456 709905.5842 667733.3426 710575.6556 507923.3313 509413.4628 478109.7341 609690.6943 623455.5771 590336.5407 604409.0933 607478.051 623970.6314 566252.7227 637093.29 605827.5403 93.65527604 106.8738505 106.4823815 1569.034369 489.6248473 130.6826148 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_feature2 31912091.64 40831629.1 22360221.09 41026956.02 28177752.83 37231969.12 27143505.08 28261706.44 40050831.37 21525181.14 19093764.8 41842002.66 48401316.38 37964240.5 26902412.58 33582685.48 25264434.02 38679587.61 29463904.45 25367500.57 47954714.95 34541796.46 37274201.09 30608296.92 27355378.1 41408269.9 53169065.46 32290282.84 50799928.85 33664652.72 42177681.39 36745338.32 38230160.84 36439206.55 39547039.67 30135211.47 34664695.73 39475345 45211369.15 46710673.08 41618850.29 34319542.42 40700440.03 36298892.31 34688204.87 36594597.83 32644801.21 35875942.38 34906479.61 36699203.4 35165452.98 1891.134348 1097.433503 1268.772619 7995.234199 1166.660179 1254.910805 TG(58:2)_M+NH3_feature2 22161713.4 28600290.98 32878639.37 28940908.5 25163985.96 22401982.79 13700645.55 33341321.2 36204263.18 30149531.52 22071058.51 26930137 38873276.75 29564293.69 24948361.21 28807823.16 10548093.01 35672667.26 24030316.48 38465778.81 34530275.36 22757346.26 27539955.64 26523421.97 22390073 25083836.13 30982498.54 30340433.47 32045867.54 22178698.34 40399120.6 38307299.07 37934369.93 25707973.46 45721419.3 28155321.46 32429321.98 34030882.91 44371394.57 29291416.6 41518888.8 32346650.8 17891946.34 30826480.79 28953455.49 32838689.68 26965803.4 39756022.5 26571921.35 29334259.45 30600515.04 1642.999177 1292.152543 1275.634067 1745.612835 1913.497832 2293.552877 TG(58:11)_M+NH3_feature2 447711.7709 646531.1323 472550.9695 602610.4131 660607.8887 713041.7807 250522.5774 310758.8399 475418.009 268083.8321 288033.1619 979134.5135 1475852.541 804581.2602 904248.4609 281544.2236 318024.9278 605279.7613 420131.2498 358422.0261 909431.1373 603704.6124 889986.7508 679651.1623 424656.846 754446.7675 634954.5453 811600.9818 833662.7672 530004.8686 315133.7468 227760.7354 364790.9246 389422.0157 389026.5389 460400.061 431281.5676 341528.1468 320021.443 880677.9478 827287.6226 641418.7432 611947.0823 560409.4396 620638.9625 547752.1394 363580.7564 554264.6691 540233.2334 572653.9299 583628.6124 283.2236017 286.7316944 301.4033729 352.8865837 314.2410324 302.2796891 TG(58:11)_M+NH3_feature1 2903003.522 3762728.581 2154531.236 3975118.27 2529594.011 2810616.628 717082.9753 908175.5329 1608183.903 686785.0407 828702.5694 6729595.91 10495871.98 5186096.505 4821618.054 870655.3359 831633.6551 2079810.896 1104296.342 1000604.853 4583877.982 3202103.863 4220851.751 3108510.976 1865558.135 3414663.836 4784943.553 3525920.87 4056159.083 2421525.72 1037318.749 1371818.833 1516212.034 1449305.148 987316.89 1398094.288 1310534.046 1439486.421 1923505.099 6635249.771 7075885.455 4338171.48 4523949.483 2840163.011 2650188.432 2810713.732 2750617.493 2703075.329 2758739.358 2786488.132 2773120.376 349.9436097 457.8213525 890.0493981 374.3989951 386.2376008 473.985709 TG(58:10)_feature1 34940541.82 40863469.02 26149516.53 40241930.56 29575805.14 31137087.86 8102740.182 9689076.986 18618872.07 7770101.024 9442191.218 53652063.8 75338389.18 48206388.55 41799968.11 13136050.44 10028830.82 21729302.27 13752260.12 12255610.1 50567026.5 44061857.89 47086889.35 36796785.46 23924044.55 42929365.67 54271226.78 38243599.33 48476278.74 34668321.85 13312180.75 17521780.51 21905055.74 19197982.38 13401597.12 17606551.69 17851347.93 19721552.11 23033915.66 60270385.69 59182670.62 38925096.52 40714736.89 31291795.39 30780124.04 30153892.33 31410272.43 29658544.83 30650316.14 31293228.31 31057656.77 1081.937379 1156.800257 1160.822786 1428.214373 1231.841653 1174.295217 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 12151665.6 4758392.584 12246859.04 9145199.138 6934190.972 8591157.116 7199908.537 8316798.167 10013492.63 9330789.923 6402963.584 8171841.821 4204514.978 7167611.895 7577657.731 7495331.923 9085558.972 9966229.498 7205513.766 8249919.729 9254801.799 499714.0521 8175698.314 8343159.074 7783525.492 9722538.092 8754361.383 10786857.47 8568143.365 5783569.366 10543721.41 10397500.36 8131851.64 7707868.015 10130752.79 8517947.717 9323839.717 9488665.298 11520480.41 13371088.28 10699275.91 11948554.73 8253692.78 9504366.097 8406219.738 7951855.758 11124625.01 8605475.106 8785042.422 9086174.239 8919503.574 268.2985706 318.3243252 285.3715334 884.4698714 393.554338 383.3550473 TG(57:4)_M+NH3_feature1 874739.0314 1253037.359 824103.7252 1097825.708 950633.9606 690211.3144 544172.2048 500869.5382 702868.6712 623350.3537 745602.946 942544.8726 1747967.584 1331233.327 805694.6158 815383.8157 721174.3674 545359.7547 735523.4193 552816.0304 1503981.583 1319010.99 881466.2448 1068578.79 765554.1177 910273.4159 1538328.212 1032423.543 898140.475 728305.3565 552858.662 532051.9128 698191.3527 644578.7443 540021.3101 617846.6488 472995.1017 536011.1578 675058.0149 825531.8975 933431.6727 577317.2413 797757.3656 1033211.115 940843.8064 945903.7541 1213848.68 1058374.292 1063934.652 637774.7951 1207131.88 955.1637181 953.5573588 1054.221523 2568.954774 1102.806245 1129.052201 TG(57:4)_M+NH3_feature2 175000.2869 215176.8559 171401.9142 167745.6032 123668.0661 117113.3285 94135.39986 107367.6576 144508.9666 74533.24193 125507.7692 229814.4904 212141.0193 157963.41 142598.4786 154442.5256 126898.0219 155034.0174 108978.2076 98922.94487 171156.8687 173403.7465 208441.7275 185062.0931 44510.24963 223245.773 52433.95595 54493.12041 177384.8499 256600.3615 114628.4249 130698.4623 214388.7907 164996.5103 134248.0811 125233.3698 151109.6387 182450.9688 179761.3883 194969.1623 170060.2598 136200.4029 148188.8505 137382.3108 181342.6302 148100.5741 137414.2655 177852.0688 57749.56198 145522.8453 32562.47822 618.7196155 655.5230189 641.177166 4545.353457 2023.277307 885.0374445 TG(57:3)_M+NH3_feature1 969359.5262 928785.84 760001.2862 840016.9215 811112.1659 739749.7584 892175.8593 661198.007 914172.7116 590623.6669 704311.1179 1127562.877 1163549.377 1034418.776 1033676.505 1235829.663 878330.1294 882165.2276 857033.0191 748797.5365 930921.3337 1051542.218 927776.5349 828758.9013 672951.1505 842271.9324 1239843.754 631823.953 1097742.732 1074860.548 791962.8244 872467.6655 584781.0045 965915.032 855314.0268 899614.2417 836886.2668 905010.8874 769165.6529 737876.3799 584215.8917 812946.1547 875272.2723 847240.7182 930394.889 1023969.518 905498.0032 904000.3656 768660.1879 850648.2494 1038266.248 681.0051571 758.4987438 768.1813211 6315.863873 1693.576863 816.1241446 TG(57:2)_M+NH3_feature1 9916694.412 11245242.9 6676129.408 13673612.71 7823223.492 10259795.42 5517743.183 16952394.64 9677182.95 6666434.076 6087689.222 9942735.615 23008758.04 5404398.45 7125479.951 16721161.51 16378505.75 10134258.06 16764051.35 18893358.78 11879433.53 9002658.065 9357192.566 9596369.619 7664608.471 11659154.13 12394385.84 9080763.551 6855373.4 7291398.408 12554601.42 10775886.94 6307975.99 14746635.15 20847728.14 9850644.51 9391996.036 10159636.52 12198384.4 13377532.48 11402477.65 10943651.4 10030925.61 10115045.5 5918193.042 9914262.021 9184373.701 9081432.433 9037379.676 8606648.036 8367801.338 2545.778366 807.6874366 1183.944173 5860.831103 3001.680101 1706.525992 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 4021862.349 279919.197 3561612.06 3409136.556 2514493.501 3284996.48 2753445.798 2837729.531 3417365.794 2952020.502 2012798.49 198638.8134 3148666.919 1834160.83 2723669.265 2889856.768 3332908.625 3717334.864 2837604.001 3102476.953 3528219.886 3031074.524 3187256.99 3301905.144 1659689.858 3786895.127 3792259.435 3726072.627 3498796.206 2523490.404 3702825.833 3389762.992 3208478.067 2832678.044 3602423.632 3359449.88 3708121.697 3818119.183 3948788.382 4976856.78 4115864.548 3860413.352 153829.1708 3292418.726 3100508.991 3169214.74 3636450.978 3154758.391 3204428.935 3247764.864 3220715.327 243.3548969 275.5816422 276.4583931 313.7884585 330.9676331 280.3081093 TG(56:9)_M+NH3_feature3 4225566.14 5011547.403 3399002.011 5427089.07 6834889.507 3964412.201 1249126.254 2160366.92 3082861.474 1074261.771 1497936.529 6593775.819 7871600.41 5748253.952 6358216.627 1725472.397 3043381.129 3116984.938 1901133.928 2161920.257 5379127.251 3407059.132 4983468.204 4300349.49 2889043.968 4836832.683 4524356.131 5260456.698 5001929.928 3146165.177 2190530.49 2484884.041 2696525.401 4047083.794 3371741.056 2824532.279 2538468.429 2408077.951 3455505.772 5770670.162 5178414.143 4585804.325 4640817.098 3553131.728 3784673.091 3943543.605 3858523.288 3849204.419 3519358.265 3662360.833 3851606.784 343.9331028 373.6004853 372.452466 371.1352963 352.661086 330.7246449 TG(56:9)_feature2 16017617.76 17875861.24 15632329.69 21144334.71 12838603.8 21494157.88 7677172.881 6118748.962 8476441.934 9968893.702 7565616.883 27758082.62 43953663.23 23074032.11 17109011.23 7017838.374 5602393.117 15063676.54 8162472.963 10380422.76 26416189.54 20120364.7 28166439.66 15946456.34 14977621.27 16523294.18 22743628.62 18067651.7 23438811.26 15622830.42 8701466.246 8798451.36 7938757.154 7936171.47 6408391.498 8080472.37 8019717.672 12576638.55 9049842.866 36716757.1 55114851 27697669.84 27635707.46 16529869.84 17614072.88 17782645.49 13098332.03 14874091.91 21562522.53 16482190.19 15389131.76 1015.842954 960.560509 1040.95161 2160.91877 1522.486773 1360.398626 TG(56:8)>TG(18:2_18:2_20:4)_feature1 108633539.3 115877175.4 90411083.2 109266684.7 94333970.27 106649487.8 39080332.42 41003286.47 59439218.41 40566776.66 42421398.33 125437908.2 149904540.8 125576243.6 111552260.9 47888133.61 38492887.97 83771110.3 52769374.77 45543499.14 146077566.3 120811282.8 129895051.1 113864852.9 91521881.35 130145553.4 143962080.3 128619771.6 135373401.7 109296515.7 60934776.12 71491740.71 73161916.03 63487606.48 53720621.77 66503537.57 72561333.94 74668320.06 78644302.94 164219840.3 172167516.4 117514446.2 123136479.8 95803691.13 91055373.95 94948500.32 100557324.2 94764056.85 97341756.87 95939727.59 91157679.36 1649.072997 2931.7749 1791.494087 7118.610299 2099.377786 2135.37758 TG(56:8)_M+NH3_feature2 61362996.46 75977647.92 56878183.78 71404482.58 69931266.9 61263010.09 31574172.31 40377161.08 55267530.9 31063243.13 36128112.58 81292271.64 94824702.68 71027098.44 75187064.03 39262127.28 39873609.94 58089518.16 46114997.95 57368988.02 86942856.17 70665018.57 86203983.25 66095037.4 48899479.91 83096909.24 80584576.7 70770097.02 78073996.12 65262937.93 40791285.67 48440655.57 48270716.99 46855943.15 45774646.8 52483106.94 50438260.61 50861822.43 56441932.06 72741285.01 72322540.41 55088326 58368012.29 61052132.27 62132092.54 59997280.83 63443783.44 62106440.22 61851028.06 64068126.78 58760100.46 366.1409712 357.1717016 391.1954744 423.9656152 362.4175117 449.860206 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature7 34793741.27 38565477.31 21378145.07 22410302.88 43837684.74 36321478.28 28361186.01 33427875.13 39081707.48 27269796.84 34009886.35 42498348.57 44091809.26 42043609.65 48909685.21 34016652.31 34401240.79 23124762.81 41610801.66 35826581.38 44622427.5 40435162.08 43647352.76 36992634.14 34667507.96 40034292.61 44199220.17 43545438 42485091.18 41437286.62 34120551.85 39643332.34 38472616.85 37626043.07 41461339.05 39121726.88 38871961.85 38932122.49 42656569.43 34933070.81 33556209.83 30921989.77 32855048.9 38185574.39 39884326.94 38981001.1 39204494.54 38996344.93 37456423.37 40152233.03 38881350.36 752.71591 1403.326598 1157.138376 595.7846792 672.7046267 878.2357816 TG(56:7)_M+NH3_feature1 40891694.33 46133939.74 32197350.43 46668775.49 33936608.95 36439069.92 13123645.49 13343481 22433934.67 11414411.28 13898812.24 60297277.38 83176082.93 56268510.77 48190884.85 16717989.04 13370811.85 27066317.28 16853061.35 15663274.73 55886610.39 48150499.37 54170485.1 43715234.24 30648559.81 48525889 59554965.24 44323242.26 54208876.61 39827444.52 17578090.82 21452026.08 26320919.22 23484496.41 16894561.15 21447882.14 22766296.63 24211420.25 27748342.13 70019967.54 69355859.99 46033775.53 49012297.36 37133208.15 35888704.44 35137788.9 37875418.16 34939189.8 35643445.46 36089354.07 37343893.1 1016.461498 684.6588597 672.7901211 1289.058944 736.6147967 706.028382 TG(56:7)_M+NH3_feature5 206630152.4 243065367.2 196683347.9 233622489.8 190852499.5 239983089.6 89018626.05 119126071 150204698.5 96707507.19 112647295.9 236945248.4 258980985.6 211399938.8 222067111.2 124079497.1 108610030.3 169911871.2 132331347.2 48026750.11 257848670 222435403.6 257062687.3 225535481.3 192595477.1 259286706.8 263325498.4 22124376.93 233547232.9 206712053.7 147367708.9 154515968.7 151948091.6 165735369.3 139648612.1 148770915.2 169122631.3 161419226.2 181875959.9 284627468.9 273371778.4 218675932.7 224689392.6 200683994.7 200090686.9 199161656.8 201168861.4 200909211.8 198095251.2 199921500.1 201468386.3 565.8832515 405.5445755 423.238982 3471.861331 599.2495593 861.3344003 TG(56:7)_M+NH3_feature4 25276286.71 20525394.83 20474674.44 19469183.89 19851886.22 18360463.93 11088501.47 10974004.16 13082389.52 1090174.371 10504461.99 25462789.25 31537275.9 24615291 21387796.95 11875600.55 1870435.005 17838239.92 12193728.54 14724589.89 23763243.62 25737490.98 23916752.13 26450878.57 16947888.76 14556796.03 23120319.41 22404615.66 11019645.2 18150624.49 12576862.53 5937079.768 11066043.79 12892101.18 11555881.85 11394780.8 19287564.49 24509733.47 17197042.95 26943487 17019570.32 15120091.98 15806572.32 21786848.01 13171952.68 23452382.14 15262597.7 19673196.01 22520726.12 15972164.33 18919573.67 311.0498435 298.1202454 329.6445462 888.0176503 244.6072072 256.4020245 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_feature1 6306623.446 7152539.804 7744647.39 6631876.405 6208329.403 7810712.039 8787341.698 4491137.686 6838796.497 8635636.342 5666367.357 7262602.787 5588057.699 8083744.361 6312212.904 8372046.453 5803938.041 7593788.403 4287845.231 8128943.518 6371707.24 8361601.625 7561543.201 7409116.968 8600086.886 7316861.221 6797779.341 7114422.12 7598272.986 8848363.96 6388078.791 7530916.756 8356972.584 8992973.593 6756158.876 6583989.77 8152064.119 9316104.69 6172721.257 5318498 7304731.401 6008132.929 7911924.372 8107597.443 6899263.392 7682215.914 7920696.08 7466693.795 7985550.745 7998048.691 7119902.134 328.1053444 1191.539093 349.0528283 4700.502127 439.4371764 1128.699113 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 10080606.83 13163441.44 13200190.31 12416107.07 9730412.756 11582248.16 7413148.927 7242312.784 10910229.47 8158144.951 6722680.422 11550163.46 4527537.517 16602263.59 12936663.42 5637344.104 9313614.924 11975991.8 4150747.621 8382082.451 13867498.78 16365580.79 12695920.36 11517448.26 13940228.23 12175526.74 14141171.35 18074197.72 16245708.66 5684936.435 11489681.72 13691561.92 8632585.806 6805221.094 12800712.48 13294351.33 13488380.42 10203753.49 13857741.41 12480120.28 10714855.48 11208938.4 13040634.51 11937518.44 14103452.47 13102133.64 13229030.01 13937244.58 16197124.32 4946016.322 10620849.3 176.249549 389.5479827 313.6558453 472.6528898 207.4130178 215.4729354 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 272362409.6 339135022.9 280285579 326913074.8 311114546.6 309928915.8 137738309.9 201462427.4 233536098.2 158445048 186038821.4 306646279.3 314344144.4 282125101 308715644.1 177172557.7 174877548.5 249044212.3 182501886.5 190107209.2 339442741.8 233077242.4 355202934.4 311227260.4 242754915.9 300639224.2 328545864.2 322590165.8 258674111.4 321655653.6 233356397.5 234678766.3 272065924.5 229243689.6 244157772.7 242441960.5 259796795.1 273071486.9 271320087.8 309643950.1 325825999.7 285759775.2 290611034.3 285762548.8 278941138.1 292799864.4 293658101.9 285950082.9 297045366.9 265706379.5 292992218.7 2621.364501 590.3768528 544.8526029 9329.989096 553.9676788 4613.290828 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 19759334.44 24969720.1 19524549.96 21516691.74 25867968.74 21211084.68 13494800.71 17033760.14 27782862.19 13797052.81 19057714.19 25676855.63 29747419.41 27202968.4 27280817.23 16249721.2 16406765.64 25081008.48 21454793.39 25607732.22 29474803.27 25325021.19 27210549.12 24318233.15 19791013.92 30381086.99 28597042.55 25993567.97 31579943.65 26997627.5 20438711.96 23894850.28 22647043.69 21001356.27 20554435.64 22620809.67 24135201.45 24764715.12 24040099.44 24722736.15 25174914.17 19359773.69 23099930.94 24568256.33 22579244.57 23191700.63 26545260.07 24163435.1 22861235.06 24417100.28 23590181.91 686.4058064 676.1692037 753.8697786 4438.688572 874.3101211 2216.642998 TG(56:5)>TG(16:0_18:1_22:4)_feature3 111217260.6 139395583.4 102855263.4 124162648.3 115533161.3 109681834.1 62643606.84 80623870.19 108441578.2 70952569.1 84389471.38 113116581.2 94614978.9 95387223.29 113733639.3 73863894.34 88026424.08 104567729 75450560.04 79402701.61 138709683.4 108982693.1 119476804.4 98966396.53 98965378.48 126920283.6 118260869.1 126446780.5 128127696.3 100466827.6 96715437.11 91687105.16 105885915.9 105367262 106266921.2 110012112 98275325 119713392.4 110348771.3 88526490.96 101141540.6 90786308.14 105418665 98545601.85 98029891.99 106159486.9 110633222.6 111974592.9 100269428.1 97394774.67 99571002.78 640.2156317 553.3072144 605.5068532 9794.252681 9500.617123 2627.739492 TG(56:5)>TG(16:0_18:1_22:4)_feature4 51105309.62 61532710.68 45419336.92 61592426.82 46757095.86 69222646.88 30581342.87 34892322.09 59636057.63 30698259.09 40355732.19 55269775.25 64896534.65 52078434.95 55301743.17 41312810.89 39048093.59 58649873.03 44849469.47 50015743.48 62147155.59 63145298.85 64574042.88 57291178.45 49757244.85 70541615.1 60606384.48 48394152.17 68332989.88 62700998.88 38428709.32 55776763.59 52311833 54472244.04 47963535.01 57749003.57 59142020.03 55312156.23 55812309.57 60421417.18 57045317.53 47831726.23 51419825.92 54062705.87 56401597.7 52577413.27 56743016.33 57411087.74 51563647.13 58378325.31 53026412.77 1160.586566 1002.411988 947.2590315 5458.210533 1986.144689 2349.3335 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature2 35047432.55 38724080.58 31259046.64 34143366.74 35513511.58 35431098.17 16821221.87 22484174.44 26791663.87 18994089.78 22448798.89 34743715.92 36095352.72 32406929.89 35326459.83 22300064.1 22421002.9 27874826.89 22723542.05 24433994.11 40276524.62 32696061.34 39285224.96 33684094.04 29173044.68 35381331.49 38299606.31 37445332.1 14324267.8 39446327.23 27698346.95 28294159.63 31826983.21 26636620.45 27126623.59 29580924.35 29253862.28 30221938.92 30493608.38 39803537.25 37009436.82 32444403.22 32823670.12 33618774.55 31556903.1 32038490.4 32983028.75 30959822.99 35673139.31 31689398.03 31949206.56 292.7399514 319.8462564 297.4038638 331.6350732 285.2509064 310.7160893 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature5 42400954.93 46084596.23 33166500.27 26748473.38 30559327.96 45148389.87 31034690.6 1735535.943 40753686.74 21607751.46 31165144.54 27481435.49 46690275.18 24675383.71 13253022.25 30848953.74 33631616.84 37774773.52 34126753.51 33052216.15 33515515.54 34776602.82 45792663.38 43442074.96 39985414.06 45920476.42 52277895.45 43953585.73 46875457.14 7419801.614 36556263.4 21278172.08 43370451.79 38357062.69 34814105.8 8794872.698 41828610 46065720.8 1878996.298 46562827.85 40451040.75 8948233.185 40776176.3 32365020.24 31246679.76 43209799.9 44854181.65 28399777.16 39613996.8 29534664.79 37992781.05 809.102452 759.3880066 770.0798786 2011.973324 2136.8228 2685.700739 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 23731231.11 29959399.65 23570284.85 21361041.97 21136901.38 24121819.73 18525876.96 15800483.14 26169708.23 15081983.31 14366870.12 27739037.01 41606074.48 34790968.04 23510590.68 37672700.47 14886772.26 23864696.93 21299488.15 17558079.36 37999996.12 40427869.39 30277504.41 26701400.18 21840719.21 31554836.25 36247283.99 17953336.63 47044628.22 46258426.22 11782011.41 24709554.53 33461630.28 17492135.03 23016372.31 21112859.65 15963017.96 25279766.89 19240194.17 27897822.6 29020804.97 17591488.81 14860864.96 21769147.2 25722950.26 26765980.15 21445296.89 24774415.01 25359639.29 23730991.04 23336142.65 2129.177316 510.541667 1640.769631 2884.502986 4846.232771 1144.157556 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature1 1647552.528 1744430.032 1678851.598 1492762.109 1552997.68 1502194.435 1214804.901 992656.8914 1452066.454 1053830.79 1396207.222 1819780.73 1891655.267 1808180.539 1358332.169 1917600.501 1271007.552 1365448.172 1310034.735 1214242.666 1391860.948 1906286.906 1680085.568 1841262.757 1679811.668 1624796.855 1891669.209 1763285.011 1815712.895 2318838.796 1274484.584 1396508.849 1931647.376 1827328.695 1164173.427 1368445.68 1579385.925 1879035.702 1425681.313 1685665.392 1720755.885 1013557.631 1125815.384 1482589.271 1625010.191 1475763.29 1467639.014 1544728.58 1646493.126 1433192.354 1529515.594 6802.934452 1639.545118 2011.476776 13664.82249 4853.722068 4286.461491 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature5 76727184.54 46092309.87 33170054.65 26754864.55 30564804.37 45155784.78 31127352.3 29149556.47 40951746.94 21611558.9 31169468.15 27490378.27 72164801.75 24995705.9 13259499.71 30852528.82 33635726.07 37915460.53 34270074.39 33218310.14 33527863.85 34787319.43 64302487.55 43446352.9 39990285.78 81880081.72 52282502.58 60998952.37 46890014.95 7803977.783 36598154.84 65897495.56 43373624.08 38361718.28 34817883.03 34747761.38 41833627.67 46073994.02 44691586.07 85597056.8 40456860.22 8954596.053 40780135.99 32574273.66 31252550.48 43217396.77 44860059.02 28670644.68 39617611.44 29749111.92 38000030.45 5797.604558 1938.028721 1776.224778 3768.024892 1314.562345 7184.504054 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_feature2 540949.5756 304544.3014 484537.2733 541198.3459 631045.7082 610716.5386 567095.6159 375528.363 431304.694 308130.4406 642310.9824 465599.1878 613670.5586 479825.2966 440473.7447 695790.4262 446930.1525 495262.1795 862496.1438 448365.5182 392964.0648 337799.4576 505645.1285 454973.4038 603696.1987 541738.5872 548999.0351 352953.2485 731726.2055 598638.3804 441229.997 579524.3373 504240.6924 452002.3716 470917.9871 551337.6459 491619.6276 440655.0954 466452.6172 516417.7021 565377.2463 450261.0417 512776.8577 493923.7495 464875.926 419928.9039 367091.8133 587682.7259 401438.751 427046.9838 492161.1135 4468.973796 766.3447326 3130.212971 3650.820759 1179.091456 631.6886147 TG(56:2)_feature1 80851209.52 104856530.5 72339845.74 107947627.6 79110769.96 92857963.34 71726762.63 86990874.74 97759594.65 66569574.63 67773365.33 84087236.36 72855805.26 81020392.87 72371965.76 79785320.78 78661202.66 92588549.6 82739701.43 86631340.12 105277679.4 79269517.46 91974338.73 76215190.12 66646622.87 95400341.54 104603757.1 83265704.21 101476272 83785979.9 104231736.8 94852174.33 95891903.22 90662780.25 98729307.98 80739430.69 95389305.53 92668032.77 117195520.6 109260869.5 121687199.1 94963991.46 112623555.8 91343175.84 91667156.7 88824420.38 88123208.47 94875408.51 96001447.75 91152725.27 86620987.11 1683.957959 791.0505702 1989.784158 6352.994501 3682.774302 2202.195213 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 1247907.842 1570204.885 895636.8286 1508175.005 889949.7008 1369662.082 478553.8207 557172.0006 501472.3935 258588.4092 445741.8449 3175964.476 5293375.126 2178843.624 2293471.397 271278.6116 270322.1084 1146731.695 531302.4491 509601.6499 1479573.103 1175392.922 971184.8357 1299574.667 918041.0124 1091855.625 954888.8029 1518842.01 1015644.318 933030.5183 507172.5992 630509.0931 413352.075 668345.8619 420580.8037 245001.7922 564452.0178 239810.287 545838.1963 3211455.515 2630482.475 1886297.114 2009689.979 1251146.396 1159348.607 1113649.704 1207047.694 1154373.485 1191503.343 1165816.543 1219306.47 429.697689 445.3608769 478.7004143 439.5301941 425.0886839 429.5150019 TG(56:1)_feature1 13083349.7 9938653.929 6021268.33 7532765.125 7090069.887 9014785.529 5675843.971 7474790.439 19043948.74 20298081.5 14070254.36 7430747.928 14633650.56 14736495.92 7686143.571 5619920.062 19600596.6 6686744.633 5376160.529 19665926.42 9136505.168 8092374.89 6157315.043 7150424.802 14801765.26 8607546.215 6500082.34 11326443.67 7651977.225 5190982.889 2377074.782 2432303.257 8137153.521 6076782.828 8997632.68 8466465.917 6259564.416 8956399.981 20698335.82 13846856.6 28526738.05 1673390.045 16343085.38 6736191.665 7165921.58 8685352.954 10444159.09 6819283.256 6257694.324 7698184.962 7819247.029 715.428986 783.3914008 771.8833757 1257.468733 1007.923173 1577.527257 TG(55:7)_M+NH3_feature1 3099637.018 3259093.547 3127680.597 4163130.15 2930896.305 3358639.063 767368.7231 1895545.941 2216155.921 1500019.164 1542907.617 4494451.457 5122242.288 3520884.133 4227770.923 1585311.626 1746530.774 2680407.021 1706009.887 2016289.723 3569450.759 3914512.65 4371414.027 3259305.035 2637252.414 3851011.39 3720124.091 3716777.729 3727152.948 3325425.465 1856745.243 1973975.862 2364173.926 2246160.164 1793762.183 2604517.672 2258848.796 1978191.342 2678986.154 4289894.111 4786129.223 3575727.049 4200089.664 2951226.031 3186606.722 3294520.781 3005539.999 3407894.284 3211958.25 2945350.497 3058799.926 671.103395 725.5587031 718.7509437 843.6362736 758.8928551 822.7006839 TG(55:7)_M+NH3_feature2 583375.3395 1353137.319 459660.4041 461399.1084 457214.2619 676330.576 424424.6408 463326.1934 509261.8804 384098.1944 699883.3383 565931.2064 297712.8172 365651.5589 563662.8954 623060.9545 373397.2274 385807.2152 628629.7158 367608.3987 1161964.319 881856.4739 586366.8515 386191.8263 891829.1217 1124097.242 257041.2572 1028422.9 658147.1803 622389.9865 410494.2268 432503.5805 799156.194 578746.4898 530429.424 719582.8608 595017.7841 630994.067 778054.0532 3051161.209 614689.4438 285314.9602 426640.1042 678531.9383 472887.7098 450282.2107 617674.3047 443373.3416 663563.0697 496282.1701 580597.6322 427.0873447 461.5094783 480.6425221 1252.098672 442.5862676 450.8301957 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 7455319.6 8159620.966 9189959.702 11195173.5 6210940.113 10033087.52 6107947.595 6545433.585 7485992.179 5564478.731 6312242.16 12385362.1 9846862.974 10590680.99 9668968.914 6876575.657 6016863.302 8554637.041 6092749.997 6234405.599 10579636.4 10516310.46 11108575.13 10754135.56 8646023.706 11408046.97 12637662.27 9939631.353 11796848.01 6321830.597 7669374.987 6525971.095 8751899.557 7895191.012 6713241.037 5997220.934 7435958.467 8077697.689 8966233.796 15616200.36 12709471.18 10986883.28 12772738.17 9765511.776 9480648.23 9827145.046 8603215.511 9832957.339 9215349.343 9053573.057 10232559.45 391.6958595 390.3139442 383.0602221 545.2718788 385.549325 416.9885836 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)_feature2 30891443.31 35446809.4 29482247.69 27865861.6 23805849.38 24447983.88 15806797.36 17774500.87 19157916.01 15938593.99 16151688.24 29908351.14 33300223.22 37565207.21 21711921.02 19735182.72 19515044.29 19646449.93 18474140.88 15425985.93 40384384.26 32272001.28 26033584.32 37689466.46 30358966.2 33201973.37 30286418.32 24662882.95 27964289.65 27157091.06 26283600.1 25098122.24 24856465.45 20631197.76 22040615.44 16475821.27 19839128.78 23089434.95 30580042.78 48173356.39 49520280.67 41623520.03 33137030.77 26035391.32 30854696.93 25493850.39 27371164.93 29779093.91 26617088.18 28980160.06 26648754.92 933.79498 882.4866645 1009.765206 6821.378905 2291.300483 1840.592045 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_feature1 72633.97142 93194.97414 88132.50298 35433.46041 49581.72365 60629.36753 141281.5742 126267.4523 124091.9644 67589.60172 100245.7945 121714.6054 228287.8151 118968.0779 63359.04897 151313.2759 85929.50276 77043.19435 137196.4937 120559.7208 61135.57603 109067.6245 115999.2024 84611.67539 68298.39638 82485.20051 95047.45288 113117.5803 173621.804 105262.865 118199.4061 77180.83648 119633.9087 113288.3286 44392.22807 74851.89217 68381.5855 71419.46832 41013.03137 153473.4787 111476.1264 49940.37745 94301.03861 105358.6994 97279.86976 87957.76349 72803.81753 78367.11404 108734.4682 99725.66424 99720.29817 211.5621625 232.4384934 217.3415143 352.9252882 305.8861468 335.7550544 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 16440543.28 43307200.97 28898194.01 43407089.95 23392403.1 23630223.65 14452368.78 27613501.1 19872781.27 21049760.88 25790521.78 10703480.33 52205223.3 29326778.52 28233893.05 15687944.9 23746037.68 33967439.4 17109514.29 13049743.12 18754587.85 31884935.76 31229598.33 21975989.63 36089555 44206564.46 6681106.026 35951945.99 47924375.91 31361575.48 34011583.24 34689678.71 33444642.6 16714955.02 18487673.91 17570824.29 36432091.27 15515950.66 41511367.5 26685592.74 34500457.75 49248280.51 8984731.003 26145596.3 40041269.64 23425957.53 36870293.1 34788182.87 33413516.78 29456088.16 30345699.41 577.7066755 646.4295537 679.017836 1253.117709 566.3711795 538.7970778 TG(55:3)_M+NH3_feature2 1309116.491 1262888.452 1612088.728 1210587.136 1469911.129 1389286.263 2270409.077 1962103.008 1959915.677 2079543.881 2431945.664 1459354.454 1292271.126 1455780.456 1525622.713 2321442.555 2027851.575 2194466.253 2113630.81 2248551.532 1061502.239 1420345.711 1704133.415 887044.5556 2041720.432 1325747.175 1045692.706 1369866.986 621458.2066 1802822.478 1912125.344 1784511.944 1171702.183 2379219.567 1892976.99 2055052.008 1724442.934 1816323.474 1521217.089 378401.7465 1169844.823 1150721.752 1401899.184 1756968.729 1440398.653 1617185.792 1609159.678 2030301.256 1618783.925 1523351.59 1567438.448 209.2965272 208.3775982 219.5901327 502.2913389 289.6784322 315.7324822 TG(55:3)_M+NH3_feature1 59457.60641 92281.08212 123015.0326 56649.24287 52060.37458 42534.13875 131997.2859 130605.0533 56036.69071 208397.9475 142104.7902 69517.87559 26279.56091 69738.00819 66252.627 130961.4708 220432.0792 70231.88326 155491.611 163865.8115 50511.18365 101255.6263 54814.97835 79471.69403 78520.57321 44686.5012 66063.14302 50600.1101 58144.89358 90046.01269 102108.2428 64888.55192 69096.17463 123654.6028 120817.8435 103938.2332 53058.1137 90043.68721 62030.37339 21398.2415 44844.70545 44341.92041 83590.69071 95947.97664 77941.70418 92492.48742 65043.90482 67515.31551 90206.80689 68850.59676 172948.0604 121.4906922 119.06827 121.0474364 331.6573772 1078.003269 239.5688275 TG(55:2)_feature1 26209659.82 31401416.49 21760847.1 31981108.45 24217280.08 26156525.91 17468240.97 19760229.71 22183979.96 16822804.63 17388588.56 26908151.39 27141149.1 24051798.42 22907572.44 19744234.51 17735864.26 24911735.84 20496575.59 19409414.65 31979526.29 26154005.11 27389337.26 27328941.97 20941734 29002743.23 32051437.01 24584077.52 28526048.23 23541735.85 21853988.12 23226932.08 23803723.22 22421946.08 23094297.71 22076289.15 23885972.31 25444835.62 27345111.3 32638791.76 33867296.52 26728557.83 31552013.76 25915832.53 25104901.63 24579108.58 17347277.78 22788146.47 24487400.16 25584347.73 25340379.4 1910.706017 840.3259461 767.3268323 7630.184328 2739.754559 1929.170485 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature1 13773036.2 14765674.6 13228240.45 7164588.582 480064.046 404039.1978 7138337.814 9184203.445 12318939.7 9638147.674 8544720.987 10606383.44 12253667.52 11378615.61 9746843.769 8213596.618 9692630.025 11429870.26 9366841.855 10510230.41 13366957 10686210.86 12288342.16 11610340.89 8586348.456 12091554.3 13409556.82 12287966.7 12613221.72 342985.8446 11375359.25 10666512.24 8840204.096 9692807.136 6064044.794 11031264.04 9474029.636 12733281.03 12558708.5 17511915.12 16059895.21 15442019.48 13066851.56 11547814.56 10882361.06 10600994.99 11970876.62 10776585.86 10895892.91 10969506.8 11575500.49 651.7626731 610.6912468 713.1032344 2529.928896 1231.972885 767.2815153 TG(54:8)_M+NH3_feature1 7286633.57 8997602.924 7480210.577 11282836.15 7282112.91 8452287.1 3930772.711 3273487.374 4938538.489 4262733.625 4195822.057 9418421.112 15885452.78 12014182.56 10987729.54 3384161.926 4101355.335 8293564.945 3952519.949 4478343.859 12568339 6482894.709 11606967.91 10893616.91 5870643.867 9325483.483 8125826.115 9977681.184 9839183.11 4850398.738 4677575.752 4313446.976 5594651.35 4776232.108 4254158.59 4919576.701 5017581.411 4783304.891 8121890.728 11616415.5 20946061.5 8634646.226 11659077.67 6993268.096 8769731.234 8247083.851 8050234.049 7145872.538 7797703.613 7487773.72 8384442.12 436.815905 431.7977194 455.6345439 857.9172846 520.8850058 517.8055033 TG(54:8)_M+NH3_feature2 11799351.94 14453894.99 15080752.42 15775251.99 13917636.67 49852776.35 4370696.282 41868049.38 7481021.726 3943273.064 4115385.259 15093479.58 23578071.91 95813882.19 15714235.5 4673683.616 4684474.382 9547208.213 6311372.649 6032507.048 19230744.97 11115975.29 13552668.73 11079558.01 6430219.095 12226465 13194038.56 11494258.33 15026116.63 9225913.634 6032206.275 29863503.17 8163107.968 6526978.43 6189076.999 8245259.661 6915745.934 7822925.778 10388744.56 10640605.6 17651185.02 12071151.39 12577501.56 10506166.91 9900702.398 10349100.56 10505509.3 10400052.89 10260133.35 10409997.35 10150398.07 472.7161809 496.2037284 503.1440175 596.8181514 521.6417974 511.6151431 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature1 572106.807 679888.4557 461449.0865 798075.398 543257.8286 634797.977 253161.9207 301314.3551 357807.4371 166002.9844 301392.2619 695318.7596 866615.1256 668831.0806 616023.4833 361257.6248 212781.7182 516852.131 496177.699 284692.2264 1398562.283 588515.9989 1188795.887 869986.348 310556.9533 604474.1366 784254.3823 884215.3739 799631.6818 883267.0858 296808.028 1533614.206 634566.4102 1610773.187 485196.119 670703.2912 558035.7091 644476.1209 576059.8334 689013.4897 797606.516 522364.7373 472425.2366 656062.0257 462318.3664 424668.6693 676935.169 396816.1801 657506.8828 611716.6667 474991.0491 465.847729 471.4943132 469.6343672 506.608479 502.4705881 468.8270387 TG(54:7)>TG(18:2_18:2_18:3)_feature3 69017951.56 127283636.3 55638007.95 155535260.1 80539939.3 78596782.26 56841402.22 39138089.15 57742835.64 55098879.15 54065484.81 172977742.9 219323141.9 155636207.1 95041577.08 40358898.25 30812902.12 91476882.65 45803255.58 50445022.74 88432842.92 99752523.73 125357808.5 138696851 100546667.4 102411924.4 115546251 139226001.8 105416576.2 49753996.27 43746295.04 26419079.74 49578000.31 68819803.29 54662753.16 40250146.13 68023737.73 42237738.38 53463045.33 250487075 231480110.9 129549346.4 180058007.1 103045829.2 101261864.3 85888827.46 103586392 69352534.14 100083689.3 100937731.1 103726710.1 2705.141552 2108.217229 2084.591114 6073.78652 2904.959029 2076.484677 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 474881.989 621515.6666 214115.9702 817423.5902 473121.756 290799.7318 172686.4018 180791.2244 318798.8222 124180.692 130164.5944 932057.3659 1073741.748 564518.3756 717878.1965 177305.0634 138734.9634 404393.0275 241485.1281 174983.5034 634531.5282 385137.6766 476245.4502 445940.0322 238481.9706 567459.8649 500743.0284 582304.5713 981146.5863 396750.2329 200248.8008 339787.8882 229719.6715 215860.1323 197159.968 242220.537 287097.9535 337743.789 464812.1408 763784.5556 672260.6136 469901.4262 383803.0446 396625.8701 437384.4811 432203.9851 405001.1829 551295.2252 371083.0297 410206.8257 425102.5306 127.5329359 130.0090163 123.7093717 109.6996078 109.647283 98.37418264 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature3 39250780.61 42656990.87 18234441.41 63792922.84 42568811.21 33042759.75 16085561.85 25580194.44 28036904.25 23331434.35 18015441.74 9158405.482 6895797.118 49643017 47126577.74 16229213.71 18109287.67 83526417.13 22377101.37 14697817.05 44801367.46 22912785.97 41527909.88 37402994.8 36119085.44 36579955.26 52855055.09 5862393.736 54088866.32 22076763.07 29701482.25 23548375.16 29161482.58 27784287.8 22241706.08 32029375.09 28754152.59 28462559.26 31048860.32 25324824.11 9100430.432 53116434.15 63260351.08 43013551.25 43382606.51 31710441.52 42782770.08 35058185.05 31966466.33 40427215.41 47986736.41 373.380957 413.7546671 369.8674413 3601.292842 543.6645663 434.1623636 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 417035056.3 393785714.4 386013182.1 253327519.4 348751468.3 420606050.1 237590842.9 258632785.3 295947708.9 250811277.1 257144700.9 264640326 203239608.7 251058050.6 395161415 248530356 216701821.9 351089212.9 235711892.7 244739791.7 243788798.7 230884514.7 388372305.8 395025875.4 363139547.9 446577298.9 245459403.1 249233997.5 226657820.1 351019401.6 303188518.3 302876303.8 333422506.1 306755031.7 258914709.3 295988094.7 336036031.7 315261310.2 360560940.9 337076432 334216778 278206258.2 286980460.5 401951590.5 373418469.9 390050890.8 369559481 376884965.7 391185763.8 383212403.9 393844980 2658.935248 522.9937789 506.2431244 9270.743533 1090.409048 2675.129534 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature1 4200111.76 5175270.835 5154811.865 8704886.416 5109282.079 4339503.467 2140572.338 3828265.609 2135916.29 3978572.779 3512407.389 4302216.108 3585258.889 3449732.746 5401872.887 57095.70996 4093800.523 6343908.105 3273083.715 4343623.906 5802782.872 3417721.435 5671883.653 4486227.789 3796832.859 5059393.148 3023735.307 3974780.285 4165035.616 3164219.02 4604957.735 4406515.353 5219410.01 4587666.292 3351800.906 3866800.816 4511849.099 4697838.725 4893316.549 4660234.361 4773470.799 4141063.251 2824428.892 3753333.333 4196294.894 3954758.736 4692599.887 4778894.58 3790535.13 3225496.606 4325236.293 158.4596089 322.6699221 149.9712676 3483.11477 350.8424281 925.4852283 TG(54:6)>TG(16:0_18:2_20:4)_feature5 159653884.5 166763357.7 145608830.7 169168862.6 196587970.3 205200060.9 87506815.91 115015676.8 134519803.9 107513062.3 109676871.8 170498597.2 172126777.1 150264667.3 162940265.1 98895385.39 110791037 147529137 126075602.5 113967247.3 191093818.7 158491263.2 188921980.7 172056266.5 151772929.4 200396987.8 177664928 193745030.9 193673130.7 165809837.3 141580082.3 162074632.6 125616809.1 137491027.9 128632899.2 143973955.5 145178523.3 143520028.6 154873620.6 187790131.4 170789108.6 166879346.5 146118318.2 163944710 160370202.8 159270632.9 145257802 153582431.2 159687050.8 184034311.8 145840283.8 1608.508255 3276.585966 2573.405813 13926.49969 3194.152331 2789.078428 TG(54:6)>TG(16:0_16:0_22:6)_feature6 31675740.08 34654881.19 34999536.69 38130156.7 41292865.1 38319379.39 28186283.2 34404901.28 40102008.3 30164929.21 31918882.06 37126201.13 37349225.49 36955057.31 44339749.62 27812828.46 31183187.91 39090001.11 38496077.24 40526509.88 49173537.6 35463521.84 43004495.29 39326593.82 34772670.75 39696742.19 37485325.12 43698387.33 40570717.5 38292377.29 32736404.63 39765494.17 35800925.25 34426115.89 39946300.97 39557732.83 38241439.14 36901097.41 40327174.28 32546510.74 31771110.74 31911873.91 31707186.04 37215053.44 37807598.96 36196509.18 38968815.75 37419845.14 37260718.92 37190952.09 37388055.32 969.5441122 1222.045599 1156.41292 4897.645921 2587.067474 4203.263238 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)_feature5 149879705.9 171581839.3 170766631.1 102521198.6 151160763.3 121556671.9 105040201.4 81954324.47 170815791.6 148944057.9 140499672.8 86383010.26 108589282.8 130277525.5 167755261 111699021.9 156310357.6 166845345.1 82207862.38 97087853.56 201887975.5 139279263 207649322.9 173509837.9 151914920.3 183117375.9 168496638.7 183919218.4 174960703.8 95795949.83 160629342.2 163454299.5 146904096.9 149584034.1 164461436.9 112517457.8 170610988.5 154169996 103362267.2 159811308.2 155332703.6 154820300.4 196865823.4 143129308.3 140731677.5 161613403.9 166866168.5 154683054.9 118045783.7 192850245.8 124818449 4744.403971 1992.988652 1452.851987 44814.41484 7772.35914 12017.37511 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_feature1 1130910.203 780235.8891 1332522.035 952264.2069 834491.4575 1102555.531 1838611.553 1260740.898 895252.5712 1619715.283 1802782.141 867492.5544 716939.6218 992060.3179 1089759.983 1292260.663 1329426.32 1063821.25 1191593.549 1095608.692 744850.8492 892781.2457 890819.9018 1059133.115 1656177.725 854067.1264 974117.3348 1292527.278 757590.874 1027194.274 1060658.963 1030729.539 1123656.634 1231295.426 1048239.596 1011008.728 1209845.39 1096676.091 816336.572 674004.8819 788332.2758 859239.1259 829175.393 1049508.094 986367.2717 1109585.384 990279.8902 1007746.554 1076394.92 1138444.902 943081.9996 492.3061096 1548.462402 145.3368288 4460.523524 2066.004852 525.8331989 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature3 19215297.99 21176404.04 18926880.13 21965425.74 21086377.17 25239637.49 10773331.41 14580763.91 17772437.54 12520509.94 14067644.87 20629868.39 21965515.87 18911214 20392731.58 13455612.45 13391447.48 18864872.26 15849959.86 13867907.49 24909521.84 21731662.5 24797891.61 24826104.18 20944045.93 26071385.41 22083002.16 25780332.07 23962644.49 19703318.7 17751220.99 20976136.22 15847582.98 17460910.94 16620427.45 18234848.93 20826814.93 18293187.97 20904440.5 25272327.93 22346011.59 19468223.51 18921416.82 21229540.57 20143457.77 20205761.38 20333390.43 16272510.49 20792109.2 23507212.41 19367832.57 334.4255906 331.4118372 361.6306474 346.8504137 357.0613105 313.6149542 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 159900294.1 169804326.2 368104766.4 145332617 364727018.2 300352081 303004015 337235315 267226001.2 284737969.9 332356460.6 504430826.6 188700846.7 444180823.5 386330908.1 362713000.2 292791993.4 353084687.3 342600515.1 304384122.7 387652746.6 443939666 346352553.3 440037726 391676245.5 382034640.3 455553911.8 421828024.2 209730990.2 434839566.1 322807133.5 357495270.6 392023630.1 386463160.8 359230867.1 340106371.4 387449158.1 441239345.5 377087455.4 439658063.3 574991454.9 200779368.1 529545855 371494771 407446606.8 378694166.1 330900025.2 405828889.9 431955008.5 315364598.6 400748148.7 13031.84062 3768.63265 8332.628576 19259.00956 9246.270611 7576.652785 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 700877.0249 585922.423 1031805.555 635323.383 650722.8967 617795.1426 1058127.118 905505.7889 686516.9323 1037842.572 1204042.868 730991.2593 547785.381 643548.4847 779465.3239 1018173.475 920433.7175 818501.0506 937957.8984 850424.6472 491759.2361 737657.5372 866680.0895 906960.5066 1122013.782 514636.3277 599340.4957 779678.8899 579773.2586 747834.3555 736124.0975 768804.8197 1019086.671 943604.7305 755350.0045 810513.377 983255.8408 840326.1609 718533.2352 451015.0594 560464.1416 494098.4482 615129.5513 778088.0629 708690.7125 773726.1073 757975.3403 679291.172 783362.5655 755603.7761 754327.2288 1421.643293 2351.437259 133.0688284 8254.85128 2639.697936 3241.714693 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature5 291977767.6 348713060.2 285704244.3 356100575.3 272062299.8 329283504.3 246598323.4 233614794 330895071.9 223125646.2 238499934.1 310110634.1 354852684.2 313837568.4 281897538.4 218287329 248867064.3 330330160.5 264979238.5 255627841 371024901 338146245.1 363262907 343680578.3 249897052.2 349123365.4 394554034.8 296727657.5 344602119.9 307160360.7 234826507.6 290109395.8 284468164 273477539.7 319053448.2 259847844.1 298943856.5 278686560.2 303901175.2 368978667.7 387602595.8 330001581.5 353045695.4 279119296.6 322926305.2 351961309.1 351420806.3 306615894.2 301327758.9 321720605.6 308372937.4 5376.778026 1223.103789 1940.761875 52569.16435 2625.963219 26061.42752 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 203299659.7 221671999.7 175409970.1 185096849.6 182716715.6 185337941.2 161536473.3 154429154.8 182646139.9 171338062.4 191903468.1 179380854 220501795.9 214081896.8 210807877.3 209676341.2 179703427.6 182793497.3 166382768.4 185849807.1 207566082.5 225864173.6 209135611.4 222324801.6 236746649.5 183439281.3 242302533 167444917.9 192321233.9 124525111.2 103720462.2 91878385.23 109910732.4 242323109.3 168453166.1 182238592.9 199129966.6 238924990.5 182127765 199912722 237070942.2 137467575.7 155850196.9 199837758.3 205943286.9 191398375.6 198679573.6 211659349.7 205670354.5 188390086.3 203280109.1 11343.68216 5189.702552 3633.939247 16838.71905 10437.11709 7159.470677 TG(54:4)_M+NH3_feature6 10196204.95 10280975.94 8108853.892 9949485.109 8690890.486 8263671.101 4848474.133 6498860.999 7714824.538 5892342.402 4800819.534 4093603.079 9203766.549 7536123.815 8409618.77 3971072.502 4122060.139 9613479.561 6497022.139 8852842.408 9827146.529 8819006.442 8905761.864 8927516.904 7783930.787 11673806.17 9776358.845 5744294.649 10089553.5 8141685.96 6664697.227 8103452.305 8154517.864 7650976.048 4584282.302 8023333.376 10617791.23 8304203.588 7782471.157 9252147.059 7716037.517 7660254.569 5711089.329 7480625.422 9278447.662 8600392.354 7702581.434 8607898.008 7700169.179 9264597.316 7867845.637 1095.071986 582.0875937 507.3280832 6185.458218 1661.849896 1820.253837 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 63646.14222 90318.04446 41201.31358 91158.45317 167057.7672 342210.2479 48320.03301 164042.5879 95554.74121 217109.3837 78887.20253 16400.84794 207967.2397 29298.38813 29401.22411 15341.76331 148798.4894 65347.95934 52246.45387 28247.51794 96307.43098 45333.38243 28221.12408 58269.00355 202999.1495 77929.97956 60568.55537 62580.86721 132455.7389 61463.53019 66618.18703 14271.22837 57377.9614 22741.54983 83696.47101 51730.58986 16211.15519 28475.48503 67871.12544 100832.5822 160010.5282 92426.55758 42323.13908 83290.69764 242217.3481 18471.1222 181794.2173 100018.1133 47492.36841 227478.8098 233955.9038 1263.100626 1267.93953 512.5732152 5042.369778 1361.555512 1508.928856 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)_feature9 252377555 255727029.5 221983310 261692180.8 270684679.2 243132785.6 229967597.6 216400114.3 274142309.4 194482937.5 227098883.8 295828252.9 315503736.6 272042451.8 240010461 300000285 247022340.5 254478226.4 248730381 269034585.8 275849597.2 350883226.8 282676211 275439310.6 251395341.9 259425489.5 357612554.3 227556773.3 355734354.5 317407739.5 260480566.5 232004995 249830701.6 258841198.2 227830829.4 233112140.7 261548850.7 253781207.7 267881192.8 270462805.1 364906867.1 248566568.3 245340697.2 263471807.2 284006765.9 270839387.8 257820159.8 262174799.1 239216280.3 264722868.6 294795487.9 22650.5397 6233.951691 5027.304781 32215.05294 14624.62506 24665.60636 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_feature4 479105.0355 349492.5407 612441.8316 481467.4126 437166.7657 345827.3149 1382620.927 1262932.163 582127.5578 1325922.866 1250945.463 403495.277 227082.7126 431949.8694 494659.1293 990009.9128 1171336.215 716758.3578 890385.5184 796967.1476 152339.3446 292671.8986 330722.3881 472640.3228 637891.3556 307627.0058 303989.4599 467740.916 206000.7566 295512.2927 654755.2529 597290.7623 689059.4405 765035.487 757874.9091 610164.8887 765539.1787 619219.6933 627956.6265 266463.5319 213948.5206 649874.1721 661712.112 547913.6747 519128.1969 467352.3939 487241.0479 498159.8304 612339.6222 484727.9431 502679.8501 1454.5007 478.8908388 296.0350654 3138.322097 2201.810484 1728.489361 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)_feature7 213835418.6 235373480.2 209287665 229096937.5 196801564.9 210969388.4 194026190.6 200175682.4 185419603.2 194167020.9 201120799.1 218330109.1 198022764.3 219621167.4 211117959.5 173711989.6 198592402.2 215746648.4 189150457 167911146.7 208055370.4 159417425.7 180740414.9 223923654.6 222137122.2 201476176.3 213361292 211031086.4 151951511.9 180955279.5 190611429 204339608.1 224241117.8 217538787.4 202002261.8 198231868.4 211971553.4 213298182.4 211672743.2 237679435.4 214004990.2 250851480.4 204231979.4 212832857.9 203285256.3 213528161.8 206305266.9 226368611.8 201084132 205811909.1 212956368.9 2846.868237 7758.667452 9078.170327 49371.49098 14125.02255 19759.79406 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature2 639776.9238 524865.6856 647710.1581 562459.6526 503920.8874 120571.465 153513.8377 176931.4677 987792.0596 191505.547 696954.503 816755.8346 653786.9607 855687.856 573206.1862 790972.3952 524060.5714 523521.4302 766540.3085 799498.3592 467639.57 822738.2832 608922.5053 609338.3059 543712.5509 677491.1242 630969.7346 405423.1052 750949.6654 843085.3715 666502.597 738791.4924 744720.4097 677026.2684 146409.6088 556728.8758 469067.6756 795075.6499 451802.1237 521000.971 534152.317 465356.9666 582300.1144 579427.9383 649277.4542 611961.2848 599803.6654 645921.0116 483352.0631 762572.5868 558289.8383 1281.244735 442.8004673 612.1918883 5346.343653 2631.659095 1661.857091 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+NH6_feature1 110855.0989 86988.08974 87069.42528 30982.62932 38111.5345 45125.82734 267353.6358 61472.96056 161890.7982 173026.0157 92153.71003 27696.57346 60794.02889 69050.27604 132936.6718 149612.5262 203456.4715 96305.06854 179036.0996 179360.9734 59082.43903 144889.9892 105716.9143 25094.29811 123279.15 74466.73893 71581.71002 68853.33317 97509.94961 63063.16256 111417.5629 104669.0755 111162.774 115701.2256 109019.9852 162682.417 64609.52871 120656.3404 75970.90496 41075.25118 32338.79191 54477.83002 52849.49508 107598.3336 111908.4986 113510.6117 89602.68282 116659.5685 107730.9127 94878.18727 118260.0078 243.4978944 252.7183731 228.4958012 367.2786027 202.9431071 193.4043804 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+NH10_feature3 132144975.1 140135580.1 165158124.6 4574230.816 121501379 65357004.82 97353771.92 142292162.3 78138272.55 153744920.1 128058991.1 97864423.72 105445202.4 50440337.72 110245643.5 93976788.29 150523306.6 136938331.7 125330080.4 48521306.27 4139406.261 105973346 131573782.2 113405052.8 93970681.7 124234379.3 121180522.7 140820419.9 57857631.74 53325961.24 76111010.5 140534730.6 41045395.98 122625481.3 145990488.1 67047298.12 135871963.8 141899879.4 145539327.3 164508088.7 121277721.7 74838371.17 133314883.1 110784135.1 118342623.5 112023868.6 128457067.4 122663083.2 128804982.7 69965184.91 136872991.6 6529.652649 1658.562695 1253.107219 6635.764106 4395.554565 2078.35525 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 1566689.995 1527919.753 823825.7841 1449039 1226671.149 1474035.784 720300.3748 951453.7111 1034406.815 852158.8627 1038872.704 1208633.528 1498512.044 113671.4611 1542723.664 547522.6446 756477.6699 1260699.239 756133.1802 909614.4776 1466010.494 1285164.894 1537897.821 1477850.073 1183988.997 1622721.77 1218501.989 1473802.005 1198577.999 1195858.948 876060.5927 855171.7055 1012395.054 518879.9847 811038.6323 1066466.419 1019302.345 961565.9694 797733.3329 1494406.268 1344135.957 1584939.402 1578877.04 1226365.924 1129269.726 1258394.685 1415040.494 1162102.464 1241458.519 1330291.438 1114261.982 643.4101769 1998.302868 676.97207 831.9092864 627.1258989 635.683379 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature1 379695.2289 683152.8318 401370.0452 624008.3999 459465.9243 507883.6051 271870.177 332776.9773 451222.5965 324090.2832 260481.0754 472369.3045 494092.9969 435191.8393 47896.6428 205267.9996 308575.8437 708391.0414 336148.1236 314914.5802 723964.3202 500632.5442 833411.3665 521864.1289 45664.40881 759029.8253 698032.3404 636121.7176 651468.4314 474019.3906 503716.5155 638368.0143 525061.5988 457079.9874 456664.3652 474044.7245 668874.3432 504579.6633 602353.1207 358862.0855 722724.439 397361.0694 418754.7582 475704.7155 479973.9847 448653.0339 497643.1782 442310.4627 524504.7739 460695.2039 460696.7389 310.4765515 326.2334806 331.1333854 417.9713757 374.4375904 359.1174416 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature3 2793806.788 3431893.676 3002430.39 3915842.281 2676518.648 3193881.171 1504832.025 1696345.798 1644159.952 1555412.054 1534445.309 4398728.861 5119200.511 3848652.797 3035387.835 1496086.647 1210718.349 2482760.705 1397733.928 1396758.218 3722491.45 2573930.304 3030339.796 3669435.494 3085537.21 3228972.762 3264953.427 3744993.218 3355062.912 2186889.797 1930849.577 1841533.955 2286803.046 1915179.771 1534559.772 1693158.776 1911046.15 2019822.684 2207727.472 6439277.342 6506696.191 4628715.096 4711823.66 2605608.772 2781547.922 2739425.841 2660908.883 2678623.831 2857301.667 2629683.647 2651609.821 482.6861185 427.0685297 466.4864524 494.1470405 460.6890187 461.6597305 TG(53:5)>TG(17:1_18:2_18:2)_feature1 18029122.97 18517713.74 16575405.44 21309795.71 14887286.3 18528915.95 10868426.91 12420884.96 12316021.75 10745386.05 11306303.5 20555741.6 19076811.57 19011425.91 17103041.98 9842624.294 9969749.819 15832263.4 10645260.52 10394634.59 19406791.64 12364371.79 17664818.15 20279323.88 18571580.64 17250744.35 18188353.81 19436098.35 16710116.57 11816038.28 13003456.92 13549248.95 13545356.11 13255041.45 10772546.57 12263630.64 13052970.88 12980955.89 15846841.15 28163052.69 29601141.27 24102411.64 25670238.77 15954183.17 15922097.98 16675151.95 17135421.09 16328304.01 14500125.21 16945264.89 16392635.3 652.0303311 794.1040106 747.4376251 787.4028259 761.6334456 827.4945929 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_feature2 26123778.29 5786488.704 27104046.94 39827104.29 24091160.23 26905806.13 22341990.49 35072639.92 21203568.01 23405322.1 22082723.86 27937492.57 22648374.01 28752995.01 24508739.09 16009485.13 19730614.14 27604539.61 16558510.97 17360583.29 49831453.99 23733489.73 17279874.41 28509355.39 30707268.57 16101915.1 25377637.37 36852672.98 12101333.62 13662442.56 24040868.11 26148901.34 26984372.35 20799784.52 22341133.13 23398094.56 22663796.86 51123356.53 51809060.45 26050787.53 21898095.87 36344091.99 23846529.38 26854755.07 26258104.15 25941365.12 22290677.9 25063457.95 25939616.78 28789730.08 24746055.75 460.6861439 525.9056291 517.3609979 926.4779032 418.9387872 493.5244107 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 21346796.21 56085933.83 11814306.78 18387509.23 19247959.95 22164419.95 13171515.69 2439366.567 17479470.31 11428419.93 13417678.7 32854122.72 39995559.27 23392047.9 19022726.04 16029107.57 11976548.08 15962631.15 13875306.96 13628223.81 4897480.229 22249644.25 29781084.08 25765287.61 19895046.78 33159883.2 32279283.25 15128711.87 40969486.08 22064113.03 16924007.8 15482389.13 14197461.12 16808848.88 13003091.62 13623138.77 15408279.45 17630336.13 2673581.244 28136921.35 50235059.57 30803598.54 39729509.88 20162577.12 19750413.84 20185929.62 23990742.21 20676005.44 21863811.32 18742529.22 20396549.35 661.8402246 755.9389122 720.2068517 1051.103303 754.3259744 722.0824146 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 1184858.439 1665679.852 1411329.207 1649648.674 1418965.779 1541805.784 631435.5275 936662.1602 1057722.022 878923.4154 924418.2246 1579541.385 2235583.931 2133376.987 1366128.826 710563.3715 946355.2645 2141746.568 1034275.09 1697233.215 1731833.123 2055500.999 2598469.426 1390254.102 1111803.249 1418380.336 1595791.023 1800411.845 2256079.276 1436522.948 1529128.104 233456.0892 1232221.336 1020580.675 989573.7372 1279284.918 1239390.85 1210913.649 1005628.711 1368944.199 1536379.107 1089044.494 1511832.056 1251471.225 1870897.962 1122704.641 1325666.805 1239329.336 1530139.922 1374623.408 1505575.79 1078.820202 2173.173135 1748.454099 1327.17265 1573.222578 1864.083632 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)_feature3 105637184.3 120369129.4 89646996.82 123829472.2 86776382.43 59950424.29 57588611.37 77243708.94 85932464.12 67543162.83 64333676.45 110777177.2 125985840.9 109347664.7 100850281.7 62774029.13 67732820.16 92277314.18 57602032.81 77800266.03 116575635.5 84369727.88 92229925.26 103303545.2 86122102.55 92696832.74 115540489.3 113937363.1 88546142.15 77642781.59 93584534.08 80732521.25 77336049.46 86048589.7 74343193.74 75909004.01 93530185.41 81436294.7 99887425.11 143255250.4 159040236.1 131963321.6 127575549.8 98656619.48 99097625.73 103234246.4 94569608 104382518.3 94440812.02 104173337 97592964.33 3307.685863 1709.67532 2131.418806 26970.35665 6049.522481 4786.819605 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 4907179.847 5208676.432 4738739.492 5693083.412 4130484.618 4918930.701 3074927.755 3634048.84 3513061.196 3167619.226 3236036.342 6002980.455 6651347.243 5658380.49 4499974.227 3154037.389 2930232.614 4342850.006 2912140.03 2986106.612 3377715.963 6213798.687 4644310.784 5295463.1 4881922.467 5044917.111 5397680.946 5125038.612 5008834.264 3906432.024 3853122.526 3862493.953 4178334.262 3790770.431 3361946.075 3519217.538 3816954.705 4038071.454 4353046.612 7749063.463 7782165.895 6860892.259 6810971.397 4663452.534 4678415.725 4623800.269 4732174.686 4452494.731 4741134.677 4893702.41 4499697.129 648.6865499 681.570056 636.8188616 724.5084414 628.2924775 679.3808769 TG(53:2)_M+NH3_feature4 76537078.22 83363145.93 75793000.76 85049825.97 72716809.59 67725379.72 22091503.02 66099215.74 37229279.14 61975767.56 58880687.84 77919027.1 75340357.76 71744430.31 66566501.84 49941216.32 57735427.64 66128476.51 30973631.7 59796120.33 79766326.88 67783808.36 74681809.54 76058221.4 66487558.95 72397482.53 53324769.83 73739425.83 70025465.07 60518099.7 62912803.17 28722526.28 66756743.83 65874679.84 64919887.45 63304632.09 69055472.28 58058102.8 75716256.82 87985804.12 86284995.28 81208980.36 84649791.22 40860795.75 72895743.53 70226153.9 69004294.28 74632265.04 71489123.27 68782496.05 40452757.65 3376.847119 2783.907679 2163.852687 23477.13023 11647.40756 10485.02635 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_feature3 25901294.24 13265694.3 14477708.69 25764214.98 21066527.21 21529889.05 16759994.28 19969298.67 20724913.81 21293440.27 19002907.5 21475602.35 12415624.02 21573916.17 21535462.95 15387567.09 20651185.06 21484875.08 18200532.15 21119635.83 23413527.08 21186811.06 23323393 22593500.12 19693715.69 22248879.95 23142428.48 24805651.84 20270603.17 19197827.4 20793995.74 20579701.01 19307742.81 19530262 20256341.97 20234116.83 20428170.29 20643619.18 22348323.16 27510542.06 27375972.96 24031342.75 23421914.09 22202197.63 21892510.73 19863214.2 23917055.56 21230788.3 20812497.79 22323981.74 21947684.78 2007.122157 888.7771419 817.9013631 15573.29743 3604.463061 4806.017621 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature1 175605.1331 153520.5345 148549.2378 99818.50904 192152.0779 148641.8842 197158.3587 169670.0803 201747.4857 164559.6237 188533.3184 141449.3668 180461.5013 153679.2314 165052.2181 201937.1571 196668.5191 148422.8689 198979.0499 213857.6194 137343.3527 159773.6564 127851.6694 147357.8352 155469.8816 170638.0041 140252.7705 106981.7136 28198.34606 148620.0077 181656.0008 184513.5716 149486.9621 168865.8125 160657.5568 168552.0236 180558.631 125423.7375 120893.5771 99201.30227 96507.08997 95984.47501 111948.008 167576.1716 137132.4937 143986.9499 164380.1203 134632.7816 155548.5801 148812.8405 158859.5115 214.8289042 221.2992453 232.5761768 258.8884827 251.1436914 256.0482956 TG(52:7)_M+NH3_feature2 6954041.643 9978697.317 6961852.653 9775792.067 7945796.631 8198434.251 3083299.314 4218219.938 4007216.397 3503680.549 3300327.511 13968610.09 13665933.3 8693015.347 12964264.74 2978734.181 3240527.136 8827452.428 3799527.194 4307080.859 10380976.81 7421808.533 9843356.857 6269874.443 5153075.074 8075225.818 8478556.86 9086651.471 8448550.017 5329054.336 4081953.878 6049750.6 4048917.115 4112212.067 5962057.156 5066753.039 5068967.963 6083589.092 11316332.28 12231279.03 12699774.85 13076885.06 11602786.61 7188136.32 7506608.392 6806191.755 6962072.146 8022329.265 9359540.062 6270430.874 6481116.723 578.6386752 566.4790414 576.8073648 691.2338651 689.8790142 645.2769801 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(16:2_18:2_18:2)_feature3 24527044.25 30118438.02 24729692.27 35579435.6 25207308.17 32621769.76 20407079.85 23736570.82 18816089.18 21114987.4 22564545.58 31518075.85 45969225.29 30348796.81 36301239.3 16044097.61 19474569.21 31175033.86 17030461.86 16419915.06 27252038.55 18463250.39 26398394.1 26934530.44 28190813.09 29854211.22 27876452.15 35196168.35 22597338.48 9932921.847 20546962.26 18320368.94 24169386.12 19192954.31 17451606.75 15920476.7 22001630.17 19375952.84 29249232.2 49183297.74 53746970.1 35675537.27 48723055.74 28932850.73 24191470.73 20494720.75 31514748.56 27842242.04 20240937.39 28014869.03 26936598.15 1211.547523 1261.88362 1287.993357 2784.786495 1413.201121 1356.254352 TG(52:6)_feature4 42740653.79 53658430.5 42353634 60070671.64 52220844.18 45081006.98 24540155.59 34233964.77 33917970.8 30451990.54 24133401.09 51409701.44 62238704.21 46673929.96 52622197.1 21549838.85 28794113.43 47458500.01 29263314.28 29803723.41 61468721.18 40757839.69 51531796.98 50607529.75 32728259.66 46618147.01 47711465.76 48736097.85 53365894.3 33499936.15 37458195.37 38855336.54 33162979.93 34913484.73 36702089.4 42412162.64 37570929.26 36872359.32 45126269.48 64833501.94 66347524.57 58021599.8 59388350.55 41492854.77 41418809.41 45358479.73 41149666.4 40490663.33 46151369.52 40538926.54 41597766.87 1527.753269 1555.371613 1640.199921 1913.583799 1748.216105 2195.324882 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 116206271 104022542 126598135.4 110534319.3 90698262.34 108171335 106674201 124573725.5 86355930.77 114848446.8 113513740 116980430.7 78138015.98 114689687.1 124119668 83628379.11 84348165.31 117091411.3 81681406.54 70110646.42 94638323.7 92258671.78 118407852.5 119669544.7 146479657 91231006.07 105981079.8 160424055.3 44040835.26 82843215.09 102410013.3 268693367.8 104745095.9 98732491.79 88183048.79 82493919.08 105369780.3 91241871.59 115432754.3 116530816.4 117046887.3 144040773.5 151898509.5 106592730.2 96311178.45 117847027.4 112914879.9 106085831.4 93856075.24 110857601.6 108054912.4 1153.328032 3022.078242 1121.569246 6441.908337 2259.219604 5339.877941 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature2 7218255.96 7264847.016 6603541.131 9298276.378 6157246.52 6411078.287 2678114.196 5030777.038 4206848.909 3446319.909 3179897.196 8558234.705 10360232.86 7402106.689 8627121.6 2703494.018 3141272.144 7528273.322 3054817.817 3526667.596 8759149.079 5627335.606 7776023.037 7781320.263 6033730.506 7587141.795 6894627.993 7668706.794 7369578.437 4425001.118 4370954.757 4008583.707 4454604.277 362961.5355 3739505.359 4789703.871 4145262.846 4533192.905 6242265.162 11371418.18 10995433.63 10454560.77 10526891.13 5730755.023 6567098.337 6214828.695 6563884.533 6360150.313 6091884.329 6328780.465 5999499.605 341.3355336 370.9412131 369.9634826 378.0597279 363.9214863 348.2912455 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature5 214015774.2 217918848.1 197339334.4 200007722.4 220245083.2 222445517.8 158097999.5 199189806.1 185587468.5 178047455.7 160596330.3 206320970.2 227348235 173657241.4 221807802.1 118752457.7 133145382.3 217102915.9 150913696.2 142251893.1 224192658.3 136266840.6 201296705.9 215842578.1 171199343.9 204046714.9 167403398.6 198099483.7 184452956.8 135772133.4 177768055 172664902.8 149795623.8 154569799 154264787.6 180948271.3 173053638.6 142546770.4 207884758.5 262961216.5 255019404.4 252444216.1 222014793.1 193933241.5 189543922 192610637.9 197282101.8 188004633.3 205277362.1 199058276.1 181417779.2 3181.808855 4104.723706 1402.493104 13667.49454 5209.653396 8994.170545 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 342433288.7 313047609.5 291772634.2 553965113.6 302465009.3 286682556.6 538831273.9 309545983.4 298116653 300821859.3 281755213.1 289751967.3 308860813.4 288961526.5 296994035.2 257984700.6 528885885 299261925.7 269383724.4 273501822.8 544368936.6 295401035.9 280302024.7 302469665.6 320650181.8 296446992.3 279879006 292265236.1 280325096.8 266488909.3 295086089 310817220.1 269152698.9 560323691.6 266372258.2 267110250.3 283873857.6 270444590.5 537642417.1 280404887.3 528450762.3 526397244 574373346.8 270689283 331198000.5 291883514.6 301421135.8 297757372.9 298184133.7 313285158.8 282530207.6 10933.01496 6973.138855 4128.335486 20493.75341 17107.85481 11692.25265 TG(52:4)>TG(16:1_18:1_18:2)_feature4 34179069.33 32898377.18 55782249 49992732.28 36511962.88 48783187.43 24033569.25 39777697.43 38959987.56 25071005.86 60063877.18 37333011.7 36040597.99 37926045.43 41747240.17 44450644.42 23980856.8 55230888.52 30948334.71 29039460.89 28151300.41 24586058.22 36658704.86 35510670.54 60552529.99 38942920.37 35837515.21 46964971.63 29319609.36 35808085.36 35596320.67 24766304.38 50577291.08 42084588.32 35935043.34 36050898.27 60343439.31 55645396.47 34274016.69 59742830.02 68309292.55 63931144.99 58437290.51 50213945.68 43169351.31 36925975.17 32077227.24 31460770.92 35541215.73 52748587.23 42023883.18 14523.31261 5327.256135 725.3535812 8820.627262 1871.717808 4370.309139 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)_feature6 34472851.61 34351317.32 26072562.37 36995644.56 33893129 36864391.93 23387179.24 28116596.67 33236750.41 27531130.69 20318385.38 30791541.79 29787568.48 27066137.53 33774676.02 21844977.21 26806960.06 33170789.17 24537256.18 24404631.31 23310003.2 27474803.2 38381604.46 34107012.31 31289551.11 34742645.64 32202598.95 38622901.27 32403970.47 24738637.04 1637813.749 29735886.98 25464776.25 19380555.6 24987382.31 33932117.65 27831077.68 27274462.54 18881335.71 35736124.48 33087132.61 31654852.75 19009296.35 24567268.98 31325772.19 20008875.16 32708552.19 31834909.04 32992564.13 21826602.25 24930474.73 9264.428443 1018.389558 1190.034238 23934.33159 6015.869469 7405.616229 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature2 159102538 166284511.5 145640961.7 168803237.1 158562998.2 204801138.6 88204614.84 114937452.3 134155104.9 107658445.7 109686096.6 169913638.4 171513643.5 149901115.5 162569829.6 99064840.63 113578834.8 147148416 126063234.8 113935212.1 190258005.1 157920905.9 187920843.4 171483251.2 151368241.6 199679818.9 176964424.8 192894559.9 192899694 165271216.4 141128818.1 161776148.8 125422368.9 137028915.3 128245297.8 144125435 144837188.4 143196855.3 154354335.8 187165304 170176673.4 166834647.3 146235737.8 163631267.7 159852343.1 158756979.3 144957449.5 153045073 159148450.9 183721592.9 145428798.3 4663.950243 1431.130541 1138.921437 31550.27929 4695.496584 4263.127531 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature1 706112.6322 954399.9223 575492.2495 779008.8206 572435.4646 818438.3924 478051.8335 674016.0511 485803.7843 501197.0169 649971.696 484655.5365 1116637.513 462106.0676 676026.0062 308098.3774 401237.474 557258.2471 397276.4592 357871.2476 874788.4613 549729.9285 647781.733 692010.0272 607491.9428 607687.6317 673460.6937 717408.5597 560538.4341 399954.6967 446631.2799 465883.7573 401397.7653 376670.9741 434743.5534 498215.9371 452630.8753 490995.937 561651.0776 701743.9561 897839.1029 911202.1686 1188935.006 551276.6359 547222.9301 818786.848 583083.1523 560224.7159 432309.5358 690846.0015 640333.055 13062.74015 11392.37946 1253.692291 8745.225222 12448.56168 18253.64796 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_feature3 321764163.5 326196705.3 272733948.8 296102717.1 264715049.3 302213180.8 349971877.9 328549678.1 234373421.5 338398879.2 335546118.3 285545233.6 242019540.4 315613500.1 333378321.8 332111410.4 342816187.2 336064182.8 345032461 254265822.1 257223448.1 328070024.9 347280613.1 325053268.2 319581154 291362725.6 248059948.6 231099866.1 322569579.9 315739453 321410297.8 317516492.2 339461701.4 337435525.3 342135320.7 336238064.6 343598577.8 306303744.7 334770505.6 252369510.2 242720830.7 288847693.3 257892572.4 320066151 326104251 335090629.4 321282405 328005702.9 323009777.5 324687959.3 325760672.2 40267.73981 7023.76811 9041.969409 60496.10652 11849.42636 25709.87956 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 218228748.3 200994209.5 269534571.6 217586360.5 286438608.5 252993418 252679268.8 252453037.7 3728469.994 240381192.9 2471672.84 3479016.566 2743797.384 205459812.6 225068452.5 216193573.1 281662413.8 242350170 224248009.8 3210599.684 243998946.7 215491295.4 211172958.6 56721604.11 190832654.1 195240712.7 283838719.7 290320415.9 236845638.1 2131387.29 255204117.1 230920446.6 2136991.284 2254354.44 246265109.1 209395702.7 3005974.113 241041539.7 207610220.9 208332112.9 270544539 287689790.2 221097592.8 227663806 229249818.7 213452494.9 224016756.3 236738250.9 204175320.9 240867129.3 222818879.4 1403.006548 472.5759422 130.9306609 18716.12311 1630.13382 1629.057326 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_feature4 218307482.9 201121123.8 269685825.1 217640713 286530827.1 253085329.6 252778346.2 252505352 341024388.1 240498332.4 240921157.1 203081829.1 294190136.7 205576671.1 225136498 216315525.4 281788138.9 242422847.6 224325280.1 347980628.3 244055115.3 215575528 211258943.1 220294047.4 190909239.3 232466510.5 283921340.9 290383176.6 236902716.3 225722626 255320567 231022745.7 221051853.7 225220370.9 246335994.7 209522686 324087875.9 241162357 207683783.5 208416090.7 270576470.8 287751023.4 252361416.8 227768689.7 229342640.5 213566336.9 224070108.7 236852787.3 204264916.1 240987071.1 222906665.3 13138.89172 8083.784108 5426.202697 19338.08095 9982.330214 24003.48448 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature6 210324.0609 141809.5549 191273.8709 217007.0808 700740.8399 453076.1273 209926.4121 225922.5894 151713.424 216426.8556 555851.2132 40943.51878 196744.0017 201284.2875 183213.9676 36354.59115 212572.9759 123551.4525 93395.87076 35289.8858 160709.0089 45391.59041 150249.5828 88244.56383 169161.1066 76538.63548 367797.1519 80609.99071 189069.4022 95970.18365 224421.0164 48420.68262 79746.92509 363316.2267 114985.7607 604139.893 71857.45852 312684.8238 87503.16247 388382.6592 272899.2166 898882.9881 71778.27206 200129.9966 281225.1321 95258.52717 167617.8231 108150.9124 138634.8556 166983.2244 216173.4532 1766.758392 1230.798484 996.1427667 10902.37625 3756.645338 2221.687351 TG(52:1)_M+NH3_feature1 206107436.5 222036725.7 174043071.1 184209896 194361641 188851279.5 164529394.2 154338259 182925799.2 170178331.5 192884682.6 180940933.2 223061131.9 242336916.3 213547007.1 212857248.8 178077369.3 182912156.9 167472879.3 183841503.3 206427844 220945803.9 207335814.9 225548647.5 240676762.4 223560034.6 242768154.7 167902513.7 195390833.1 240329942.2 39109469.57 193257355.3 244644849.6 240795872.6 180782691.5 182908813.7 210435372.9 238512064.9 183999960.6 204236165.6 232408870.6 140528908.2 152913294.2 204859326.9 190837471.5 197035976.3 199545267.2 210817499.9 203261784.9 185292261.9 202585795.1 10730.78001 5752.741354 3915.449565 16453.91697 10584.60028 7583.049833 TG(51:5)>TG(15:0_18:2_18:3)_and_TG(51:5)>TG(15:1_18:2_18:2)_M+NH3_feature2 5680735.518 6718753.991 5186730.319 7418848.362 4486762.148 6066098.858 3056419.487 3275354.306 3620895.381 3348690.794 3025664.071 7391315.477 9156779.579 6825165.488 5381882.297 2563227.453 2780622.35 5010073.54 2527204.565 2977849.354 6500365.612 2183728.228 5635266.882 6579569.826 5570213.647 5670580.491 6122716.675 6430497.642 5540836.463 3117863.704 3484364.112 3297204.502 1369959.704 3598766.584 2617411.732 3502690.471 3720222.636 3694570.827 4188509.296 10844413.71 11155552.41 9303518.684 9191138.696 5105394.57 5246454.549 4836341.297 5437464.712 5294507.8 5282570.358 5009201.482 5062940.726 815.5715721 4077.495656 3519.892991 338.046663 1111.143216 508.1858785 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 28299772.17 32689944.32 24042404.02 34398806.83 23144126.47 30711344.37 18317315.24 20321714.62 17972472.32 17292945.31 18655208.57 32993820.8 37249616.23 29197523.34 26406052 13661903.55 16451639.14 24988985.94 14451693.56 14400470.44 30153520.56 24552807.08 27306936.28 33711499.61 31764560.68 28902469.79 30043972.39 30748268.09 25241464.5 19768551.11 20070021.53 17391482.57 22212055.77 19687900.07 16010532.41 19980366.27 22215656.91 20816742.33 23591590.55 50799307.42 46149101.86 42031068.95 41405597.28 24644539.54 27304218.08 27251311.41 26385011.53 26093789.3 25740765.58 26622210.4 25967754.25 747.9555252 838.2376353 855.0818366 840.5005317 835.143619 881.141648 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_feature2 332400.0974 273710.3815 436514.6806 290652.9167 388230.1941 187271.2623 358069.1866 367972.0946 383921.1239 457073.6159 359224.3213 237174.3674 302807.1717 199519.2104 284074.6987 256765.8207 307870.4787 373963.4781 314582.1753 446969.5152 214845.403 301833.6579 336962.6893 213474.3063 258865.0342 243274.7688 298924.7224 249400.7299 265712.3633 239620.4195 304810.3229 311386.4448 278839.815 229078.6721 304189.4212 318834.5665 251396.2906 222475.8397 335307.0327 310634.8349 276838.8286 377712.0631 277573.0408 275243.2121 202948.5321 302883.065 294615.4865 254464.3862 296961.2519 310861.0801 192047.5227 522.6793594 746.9879633 919.4424175 831.9488796 869.196934 635.3898334 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)_feature3 60083208.91 64962648.28 63393812.26 75892813.62 57545974.74 65181118.63 53712347.1 63573532.1 50824637.16 57789985.44 52697080.51 63570393.46 63666099.55 60682913.44 59984934.05 38884755.41 50599524.62 57793514.19 41616988.86 48283557.42 60159513.53 48849364.56 57944305.8 64722194.76 64133764.81 56028962.48 57182882.11 68607941.4 54005857.72 43043260.05 53754038.29 51772480.06 50459796.49 49051809.72 51734167.34 50932849.17 55045026 48336915.41 58751043.92 79431369.31 84034002.49 81406165.32 78106341.85 60422085.51 59124805.1 59198119.9 59017141 55710447.53 59061172.14 61305362.6 59712410.58 1108.795018 1232.345364 1678.990725 1511.18874 1030.750297 1310.715159 TG(51:2)_M+NH3_feature3 73915755.89 67567228.03 68616074.58 67574381.7 58077242.64 74503303.27 49111135.51 63716946.34 61506268.44 49529151.95 48194964.2 67834378.74 77459974.25 70446877.15 58517920.78 43050898.51 47155826.44 59958264.05 41010038.77 52189630.25 75259902.4 60614815.04 92571539.69 75035592.76 58990502.29 73967753.67 62102560.57 71959401.59 68634292.91 48110936.14 49128385.94 54863927.44 52443761.27 47299907.37 47082152.07 60191068.03 57149165.05 49421152.66 60665156.32 85842040.77 90183564.17 61932557.6 68297100.42 68341215.55 65064116.95 66487211.52 57081904.64 61883648.92 69950422.8 61914193.99 68676410.62 338.4897642 358.56073 415.8934389 2395.110287 369.7075279 505.7838681 TG(51:1)_M+NH3_feature2 39234541.77 37948636.34 46318710.49 39153947.05 37522200.87 38852846.08 30941216.28 37966729.78 33518151.48 41594846.56 34928333.21 37438162.59 33588037.9 34887418 37261694.37 25474236.93 36499398.23 35091286.2 31746354.28 18346977.56 34619611.11 31115451.62 35001876.06 38255371.05 40257296.66 34527930.34 35698057.26 43081133.12 30538529.58 27640680.09 34635576.06 34881486.85 33023156.37 31775182.14 34102556.17 35008358.13 36390485.22 29403138.02 35084544.47 45809114.71 41052333.76 44535502.74 36438375.42 34501119.37 36190693.66 33760518.41 36320473.93 34140872.45 35695922.94 36337264.36 33854206.87 558.9638976 524.6392188 548.3588623 1201.080835 481.4727601 715.6256404 TG(50:8)>TG(10:0_18:2_22:6)_and_TG(10:0_20:4_20:4)_M+NH3_feature1 87109.64326 285713.4749 71887.12216 148073.0284 67969.59474 66123.66656 23751.95041 36077.37902 116498.8681 16418.27342 17998.13757 292610.6666 476816.2102 128885.0804 196718.9974 28749.54626 29650.85491 52606.52269 27439.13853 32040.41868 316039.741 217038.7079 196402.9626 161539.6278 44693.64115 122489.9288 202777.3044 146582.5338 118586.9138 78442.71697 34773.16856 38229.97005 57036.57986 48324.01399 37895.55546 116943.9763 47603.70548 50342.6119 61085.39932 165860.7168 168444.7324 80786.87292 87452.84851 70184.36401 72947.75146 88810.92466 74614.51661 73683.52409 71636.04044 76775.5569 75239.20314 264.2080455 245.7730476 261.950491 276.6029192 272.4264184 271.0144701 TG(50:7)>TG(10:0_18:2_22:5)_M+NH3_feature1 459138.2493 777551.7215 359558.7292 832210.9616 466712.7186 393254.6727 207922.6998 280767.6934 342065.0734 181135.4742 182382.0658 772767.4925 1232461.63 592276.6443 609609.2387 198344.2189 229800.4337 469713.7679 2681991.976 262282.4427 939756.5155 445792.8125 655392.8498 468989.8956 320240.1909 673953.2934 723096.6976 651938.1201 643047.7952 390789.781 264525.6346 360624.8489 331999.7655 320323.2139 294073.063 347890.4724 1480943.73 328197.2302 554314.3733 786830.1527 895168.8296 604905.9955 722934.2413 462889.1779 445335.4399 471201.3902 484992.1701 467672.5639 467731.1278 445955.1108 462820.3051 436.978134 494.8694125 537.9105731 497.261038 540.991581 502.3657651 LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature3 3777401.516 5506277.26 3396577.382 6063298.23 6040601.67 3606258.965 2153150.228 2743907.946 3160270.464 1935996.596 1966003.674 3931144.186 6597711.181 4461330.952 5197403.566 1652721.616 2115353.062 3983832.159 2546366.466 2738063.411 5966426.604 3378891.972 4551650.956 4103560.911 2107546.907 4646236.138 3543825.121 3866189.854 4893982.68 2640214.861 2839889.756 3066215.025 3129521.082 2789757.217 3064795.988 3843209.047 3359940.452 3432874.019 4726753.764 5807705.949 6675219.343 4100806.491 4898056.464 3712390.693 3705070.895 3802089.491 3927369.726 3855993.957 3770396.074 3500172.468 3871778.982 293.5330783 300.5891568 321.9600691 319.569829 320.50549 288.5268496 TG(50:6)_M+NH3_feature2 4501591.571 6752766.877 2193297.686 7113525.229 3895398.125 4709539.847 2268485.921 2894010.132 2183044.512 2938376.502 2117105.933 6880674.331 10629908.63 6341635.349 5937577.316 1394211.766 3152467.648 5512997.071 3360629.526 3742569.86 8479369.867 4714955.299 6696777.086 4374509.973 2893361.475 5847102.046 5540373.646 4983745.35 3465099.053 4096558.364 2887138.936 4357409.06 2887314.805 2860452.751 2964082.938 4175613.753 3955819.521 3136806.784 3189579.586 9682843.713 10730340.85 5995901.028 8247288.988 3764234.102 3842478.664 4840164.073 4212761.416 4058005.032 5440070.447 3061755.063 3819633.677 450.7526973 446.0112907 481.0903045 578.1909647 593.8430953 580.4261654 TG(50:6)_M+NH3_feature1 765742.1698 911506.1851 516742.8407 1005761.573 718087.7472 830320.3068 243526.8313 644379.364 293548.2024 2745668.968 293678.4382 1126982.164 1370680.946 1043345.433 933105.7552 375457.6419 191927.5293 570909.3992 367716.2431 388708.2459 1246915.169 196142.3525 650805.0789 14797.22767 331462.9445 914086.3859 935008.6289 832310.8762 395829.6163 160842.3102 623587.5277 398733.5952 481250.441 493731.1399 543116.0207 510034.5262 91359.18132 456991.6454 160424.2932 1105367.371 1225116.189 1176602.528 829147.7759 560337.3748 761045.108 575415.4895 608134.0177 729846.6274 603532.7561 608541.65 646589.1778 148.3844694 153.3367764 164.3267813 117.1213628 116.2397363 113.2585968 TG(50:5)_feature2 40432845.18 52147438.58 30873831.3 66678101.45 47231467.45 45457591.61 29376675.23 40222985.21 36545095.27 33517890.78 27347738.12 53071301.66 61227667.71 47539161.9 52960563.49 21544807.5 29821938.7 47864424.81 29059012.96 31865928.88 40599928.74 32966992.08 48051350.26 45137064.57 31915417.86 47720614.27 40532419.26 38074052.57 42041171.77 27257490.67 37551062.26 32322050.44 31129593.38 31043773.46 33057704.75 35582194.33 35544996.8 32652436.8 47304318.21 66477583.95 71373235.67 49867665.79 50553941.95 41280762.68 40289416.22 34310228.13 43769233.84 41401716.13 31528081.08 40756836.6 43227478.98 7796.76583 17132.35325 14273.46266 3012.470599 5249.691513 5546.660108 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature1 2943294.079 3962893.06 3545136.327 3531211.385 3274548.155 1177122.142 2359003.616 3206770.373 3187528.252 3531125.444 2361437.382 2915744.84 3269196.512 2530132.069 3028548.087 2771849.839 3300658.765 3747723.143 3131251.147 3507852.325 4494904.318 3298200.37 3085343.738 2543446.53 2856992.796 3318564.042 3416234.464 2850291.682 3518759.845 3723576.714 3895638.214 3836486.357 3521266.845 3562168.699 3713126.636 3592911.603 2985456.514 4088890.182 567599.4434 3121401.942 3982402.035 3226009.169 3834471.891 3177842.238 2595043.898 3049312.634 3114103.086 3040378.007 3318061.194 2321914.877 3195644.218 645.5739148 904.8457739 217.2484433 483.7604529 358.769523 729.9244655 TG(50:4)>TG(16:1_16:1_18:2)_M+NH3_feature2 197405579.5 200731712.1 195715131.1 258683010.3 219638379.8 210969083.2 180830463.5 228615487.5 198725670.3 195823729.4 158997493.9 206187850.2 231273758.1 207755522.2 207447679.7 147290324.8 169104928.5 233716075.1 182001141.4 196549782 232796898.6 169011865.7 201663888.6 199765967.7 173613027.9 184231211.7 184790982 206713137 188810205.5 161809128.9 206775163.2 218709809.8 172857348.9 190816375.7 202828320.7 191683295.5 196049993.2 192690224.6 234263196.7 234565398 239233746.4 235834067.3 258449859.3 203995780.9 200125986.6 209853245.6 207782765.3 194936897.8 217613547.1 209108150.8 194755411.2 346.5272866 822.8872453 390.4565508 2772.489035 370.7907492 383.4609083 TG(50:3)_M+NH3_feature2 1551861.611 1563930.523 1743862.042 1502499.11 1696988.4 1634995.945 1870980.055 807817.425 1813749.429 2186088.576 1690076.2 1340735.665 1117912.625 795244.6617 1471790.636 1866836.519 2215234.672 724891.8239 1879375.704 2040301.228 1353199.627 1435492.538 755966.9968 1418776.355 1609712.143 1420385.728 1385871.785 1312373.211 1412932.81 1470782.379 1949688.196 1927994.727 1865148.404 2029477.29 2370803.335 1794373.183 1852321.581 1735423.701 907888.8744 1192164.658 1151169.168 121969.8998 1398262.037 1564940.752 1494562.257 1664408.275 1538135.162 1542906.231 1616753.868 1568132.68 1518061.829 701.6538543 878.143889 117.9203943 2034.98673 1121.072621 673.2380383 TG(50:3)_M+NH3_feature3 215430266.8 219089103.4 224510572.9 239180145.4 237751091.2 215531775.1 270602525.7 366152519.8 244616621.3 276726210.9 266456559.8 201564165 190750931 191313499.5 221287509.9 192256538.4 314008138.1 272041108.4 249968427.7 264823373.1 216759626.4 186850428.5 210243692.4 209139787.3 210526400.1 191953888.2 178707334.7 205111035.2 201420595.1 182349597.1 251618092.2 244319008.2 211337358.6 237497252.1 270166574.8 235964282.8 241606232.2 222100134.3 260866405.6 194583040.7 208641704.8 244605224.9 266154674.5 219721573.8 223856347.4 226635361.8 225743408 217467392.2 228667188.1 224479776.1 219201660.4 2264.409215 1229.914807 1527.871479 12735.95915 6117.326611 3481.746782 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 94979773.79 91278737.64 117702518.6 128081149.7 99180697.2 99792135.09 132525207.2 170630840.7 107352829.5 158472682 142506277.6 106872398 69878976.23 87850298.54 108059915.5 105554748.4 142985565.1 163494848.1 142318849.7 122349833.6 97584921.09 81680055.66 83932022.59 95728994.84 119010200 72417168.64 78230030.45 99320741.05 73664887.24 60011159.71 128910218.9 113682671.4 101663974.2 103605076.7 126613170.4 148834634 116182216.8 98962583.88 131067646.7 85536407.09 85882280.53 155176539.9 181812854.6 110330227.2 109756764.9 108381413.4 105335455 93479469.66 104331714.2 128153290.7 102035923.2 3546.018869 3780.826323 2956.88026 32128.88547 8595.19254 6417.163335 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature3 297761519 249334653.1 292286619.9 257536694.7 332089393 304780483.4 347942626.7 326489266.7 335628439.1 359187237 321081120.2 276045711.1 252457581 248214811.8 293398333.6 268965455.7 301166575.5 276725341.3 304509204.1 330719115.3 275287132 256056681.5 293116379.8 285693145 282067440.8 294916361.9 251003601.1 296494245.7 277178380.1 263384739.5 317343308 315643724 256780545 272774801.2 324013332.8 289647027.3 284484046.5 287577475.3 273127706.7 231830940.5 204026614.2 235076207.7 189051871.4 278407513.8 273035420.4 289041374.9 272994990.2 315137818.1 273472934.6 263535840.2 284439372.1 22447.90146 7329.469171 7690.459388 31332.86987 24005.38284 32855.57091 TG(50:1)>TG(16:0_16:0_18:1)_feature4 174920865.5 137487770.9 184765673 141966269.5 172069100.2 169311451.5 214788023.5 204444716.6 183386033.4 239612035.2 210635648.1 140379880.7 137117776.6 147210319.7 173881805.9 169674563.3 210997785.6 175538652 196920052.1 206922978.3 137966490.9 150566599.2 168627229.8 167667307.8 191908013.8 147527055.2 138719934 166224259.5 137938502.6 160769341.8 181396288.2 173421078.7 160312044.3 160410701.6 192363214 184199379.8 173149709.6 163803791.3 163325837.8 126555447.1 117610912.3 165915253.2 137027502.2 166099413.8 164941012.9 163407516.5 177027102.3 171058728.6 162034975.7 162408149.4 169096004 28312.57658 10194.99543 8936.355142 36167.93874 15229.46986 9488.529515 TG(50:1)_M+NH3_feature2 44862.65746 29707.51988 27989.93138 36085.75384 50733.59951 43284.57668 28101.71989 52053.31939 62392.05711 35206.91106 33344.59894 36179.72393 18320.9404 26063.6183 34503.51452 69341.84909 83719.50512 42631.74885 50966.54141 72707.68341 37051.5336 32662.94635 21619.75632 11387.56273 9011.179846 33371.61118 44799.42431 14538.23065 45231.97072 42315.34421 56417.8466 57754.58061 34083.574 23340.82667 36196.79884 47934.87611 28756.35205 29657.59473 38323.07863 32140.3823 40159.77466 15596.91657 10570.60935 45467.02236 33624.32277 60819.14519 42530.87847 39337.79813 48878.69412 43839.7552 42218.04207 466.9361272 1300.608282 1298.860316 695.7756779 1060.730781 961.3846842 TG(49:4)_M+NH3_feature1 3267989.571 4112466.288 2987418.387 4832023.295 3009573.533 3285585.438 2357612.977 2736117.424 2272513.928 2429029.107 2032254.378 3749094.455 4430043.894 3742266.25 3958663.282 1650723.376 1949433.774 3773322.258 1965134.387 2043525.933 4080312.815 2634656.749 3677893.528 4119842.937 2982843.704 3794615.327 3550680.519 3849852.227 3494335.268 2227208.97 2658870.395 2478222.472 2609889.79 2085313.899 1988764.402 2345402.22 2558152.764 2299982.307 2981765.402 5368315.345 5658602.928 5232922.669 5268859.239 2942575.817 3136824.6 3308656.036 3198279.588 3032699.319 3178030.378 2891298.89 3200133.224 638.528186 694.9591792 694.1774285 774.3512648 737.2417006 709.7842748 TG(49:3)_M+NH3_feature2 11693418.49 13725186.13 11698079.11 17412036.05 12452634.35 13289103.43 10220595.16 14767072.63 9307728.194 12640792 10948557.94 11047455.7 12005474.86 10573573.76 12077180.13 7924764.044 10587411.39 13609327.13 10546725.35 10560972.63 14870657.71 9455312.345 12524882.73 12815940.17 12916440.56 11747637.89 12134765 13966334.32 10979481.13 7987279.886 12751492.14 12087058.12 10060223.15 10129077.27 10892144.73 11018121.04 11938797.19 10472803.12 13502851.58 15818982.49 13607719.37 16956278.73 17271243.29 13247766.83 11566402.56 11346396.98 12498947.59 12432677.66 12177606.32 12327213.28 12274848.42 366.9267612 340.6363798 391.1537122 364.7070129 340.3900278 357.0843867 TG(49:2)_M+NH3_feature3 30929676.03 34898292.11 33749074.52 38492761.36 30869674.21 34252073.13 29548877.76 30345414.58 29203404.53 30214488.83 26405903.81 33404631.79 37929199.67 30739260.07 30084470.15 20116011.88 30152072.04 30431979.07 23450684.77 29585354.15 31531205.75 25439603.28 30567439.33 33722621.78 32788824.02 28883426.73 28772778.78 35971998.95 28714672.8 22336798.2 29675005.99 29395183.64 26074539.72 23438960.61 25928520.72 29511157.28 26883947.45 23629129.4 26572146.78 45545008.67 40656742.37 39935561.01 37360719.85 31147529.34 29291807.34 32209820.59 32025456.09 31014213.03 30366909.55 31103898 30701087.54 370.3173511 422.1991251 358.5074197 424.7420917 411.5137908 514.9847937 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)_feature1 33479332.63 31008270.89 38692982.06 34683417.41 30322134.41 33228082.99 29213122.73 37579171.11 26215153.33 39668417.26 33286837.35 29826808.56 27916583.43 27775937.74 32073798.56 19826733.09 29602103.67 30364707.47 23491384.43 29322419.59 29687338.51 22354695.57 28294969.9 34923866.83 37956503.8 26429795.02 25848016.82 39313382.5 23143862.5 19047800.34 29793763.39 25959015.79 28079792.17 25880985.47 28477475.31 28109886.12 29167378.71 24983408.82 29192659.81 35100692.84 34892696.99 40409538.28 34266487.54 30233033.09 29954864.47 30415974.96 31727883.76 30235764.12 30879811.97 29213203.18 30658843.35 1320.652449 1067.476442 1257.716514 4657.918134 1818.84395 2592.565987 TG(48:6)>TG(10:0_16:0_22:6)_M+NH3_feature2 754956.2745 1416060.728 820070.0099 1537389.786 871355.7609 670646.2797 352171.6985 461185.4291 618725.0385 283371.7767 316371.787 1079093.645 1570689.399 948528.0772 984222.2187 251814.3728 353680.2871 766351.4624 412460.395 496911.6039 1092768.208 739677.2525 1206529.662 637689.5726 613550.5251 1200626.911 990928.0027 949482.1618 992206.6422 657483.867 420361.3115 494371.8591 550233.9437 504733.756 522642.7252 650301.1641 561355.2316 632826.5711 923774.4654 1353392.794 1773459.067 1098904.976 1263188.85 760344.0169 758103.9596 786339.266 806145.5433 784391.7396 535105.8052 861193.0154 824517.8079 236.0667506 251.1573285 264.7339222 290.7820145 301.7091868 288.3550021 TG(48:5)_M+NH3_feature1 2921754.201 6579646.968 3485355.79 8994215.353 5780243.622 5531440.503 3369602.218 3925620.764 4271512.976 2834008.32 2583075.762 7771142.595 10904928.49 6598951.455 5314153.825 2552214.061 2869625.205 6227064.592 3635512.94 3496083.612 8527028.572 2698899.802 3925381.72 5601403.912 3531786.597 6170690.564 6016737.11 3982501.882 4103826.332 2039702.752 4368396.121 4623730.295 3672899.373 3329169.395 3372622.996 4213325.98 3203869.889 3959958.015 6453946.739 10693359.55 9253791.516 7714609.285 6663046.686 3435514.048 5431893.104 5075095.883 5008226.109 4820927.101 3593034.582 4719018.271 4795863.997 398.554377 421.8101749 442.2743628 356.0690396 355.5091567 349.2057227 TG(48:4)>TG(12:0_18:2_18:2)_and_TG(14:1_16:1_18:2)_M+NH3_feature3 2887808.526 4391401.284 924913.4401 5336142.342 1611445.509 1445804.967 2501501.487 2619374.197 3165796.896 2040600.519 1114999.286 2805149.741 4463903.93 3047411.793 3446077.59 1868582.799 2435950.29 2850946.002 2578465.858 2444702.867 4843203.408 1649599.403 4564634.599 2521523.622 2037221.349 2637308.396 694468.1218 3219194.681 5343294.192 467339.849 1318829.949 3081917.585 5732121.861 2826246.857 3497389.19 3185957.556 991481.5669 3124862.894 3560580.377 971119.1377 8334719.127 1348522.865 4593717.54 3155861.333 3180396.488 3386626.868 2350770.755 2865021.411 1486542.794 3054996.974 3429679.401 1073.464552 1140.528792 1172.865191 1442.595063 1292.723823 1264.343188 TG(48:4)>TG(12:0_18:2_18:2)_and_TG(14:1_16:1_18:2)_M+NH3_feature2 37061964.45 50035831.18 34295683.6 59571401.42 45438406.69 41922405.61 28919501.55 37260272.55 31534081.18 30074929.3 24770196.68 43308179.33 55158662.46 39428566.39 45373407.27 15501062.28 13844574.29 48093997.13 26100667.31 26773412.1 53876826.98 38166780.01 37969401.87 43906568.71 29496082.74 49989568.06 44657089.47 42095728.37 39991994.41 30605042.27 41502389.27 39125665.06 27304860.2 27972366.86 29875699.86 31687437.25 36784309.38 33441837.6 45960901.43 69113080.36 72858179.29 65222871.27 65066482.13 37956345.55 36998143.88 34552449.42 41809986.23 35735588.18 40408159.53 37876872.08 35220313.43 1920.517308 1903.291942 1993.40603 1964.812498 2007.959178 1837.530477 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature1 1255508.804 1288726.47 1236928.802 1728330.775 858836.0112 869131.0016 667264.5367 556308.1297 791112.3971 265870.9796 315108.6581 1081925.888 1201353.11 1360441.042 900618.8517 897096.5647 482275.6223 794413.8198 265566.4719 301000.2527 1295105.652 1241847.747 1109634.61 1021634.43 1287670.716 1396859.343 1117585.278 1170860.764 967188.6228 818089.652 558591.3157 429440.2362 375752.7411 561078.938 349226.1798 364647.337 631244.2408 688152.8057 905820.1789 1799994.863 2270311.313 1310787.935 1783926.387 782606.6407 795949.4476 1000740.253 828260.7364 823774.9752 848838.3922 985738.3203 664437.1549 237.5756219 270.4548634 295.5298007 509.4344182 510.0338416 427.6415728 TG(48:3)_M+NH3_feature1 1528039.48 1812751.531 1783289.721 2163819.023 1848639.259 1466118.863 1410960.797 2662901.536 1106820.567 2303402.066 1586538.478 1420309.303 1528538.529 1509768.706 1634042.899 1171341.251 1694012.622 1515869.119 1259453.94 1283867.865 1759193.996 1226518.237 1826814.522 1568054.589 1666765.385 1855511.643 2035243.706 1719605.905 1388067.521 1301897.955 1640120.001 1384681.779 1340816.938 1534706.168 1608550.9 1425807.365 1356516.363 1762203.947 1652417.561 1505077.773 1954630.812 1848287.429 2830623.803 1447520.413 1517239.648 1523756.556 1430759.837 1444600.428 1420578.587 1469965.478 1554597.742 172.3431021 137.2537383 141.2087979 334.9559718 213.743256 182.5527849 TG(48:3)_M+NH3_feature2 245147.55 244599.3142 263278.0377 157407.3256 194229.7199 234436.3007 259593.2437 290888.1794 196678.4302 212924.7242 239785.2453 138138.5438 107787.6301 99168.28446 136866.5615 217710.385 291742.4375 158614.2306 276601.0682 274805.3913 217357.1509 141840.4656 182349.6242 204474.4258 210218.0401 216693.2334 140198.9036 188278.0861 133220.5082 191369.2572 172998.5738 252658.9103 152254.2744 254289.7674 296711.6286 209719.1754 263821.0157 246062.8269 154953.7525 136230.5082 53044.32484 184969.9342 185633.8086 172926.4142 188356.6336 206408.0752 192253.2756 207186.0409 172216.1045 248127.7016 129931.3092 204.3340132 208.0279666 219.9129834 393.9669384 354.2195389 344.0607796 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_feature3 137175885.7 132684174.1 134249153.7 139549151.8 149466878.6 137024789 166871724.7 197541344.2 172209407.5 183143193.4 142323127.4 98626798.59 104433228.8 109521729.7 140513308.9 133074078.6 171597672.5 89249810.31 151375777.2 191966671.4 142927223.9 109762027.5 117319766.5 123399182.2 105279397.6 106885363.3 87659085.02 118481360.8 122302072.3 103097559.4 176211176.9 175113896.4 122755934.6 135961939.8 173928602.7 167256748.9 169582046.8 138869432.8 155001352.6 116134562 121187534 42061570.98 2169850.889 135684362.6 130550016.2 131749476.7 134811071.8 144964551.8 146040327.4 130801655.3 125010752.8 7171.803198 6262.660042 6471.529632 13091.20465 5400.61779 4261.785306 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature2 923268.8691 562330.1757 964146.4348 759934.9766 1007534.229 968748.9727 1292956.83 1173243.161 1444061.462 1032628.24 1222851.864 673266.4851 672758.7896 955712.1317 800412.8279 1313399.121 1774550.286 1508898.842 1485501.892 2512669.408 827228.9082 1021078.258 1146915.187 663739.0242 782409.1753 1129438.926 910517.147 682185.0005 1116744.469 1477834.913 1238168.224 1290912.649 1030542.202 1190835.918 1468081.237 1350532.468 1146223.151 1290002.098 1195449.505 573975.4902 702903.8077 493558.1391 608782.7281 920666.5287 1041329.223 1091116.259 1284190.698 981771.2152 978273.5578 1003025.061 1004193.091 661.8967503 417.3226988 268.2600752 6014.975412 2087.586783 5677.195924 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_feature3 54808767.01 44715074.49 58656408.14 50617649.48 65277574.11 52837484.33 85876355.77 89046923.74 76795785.64 98603865.28 78625399.18 41281572.08 32581424.37 38300479.12 50199254.53 56112593.14 87124128.67 67874607.27 71919790.62 88951425.97 46174627.09 37709135.31 45262882.85 44661694.88 43413325.71 43892138.37 33333249.2 43009435.94 39301244.11 37536294.59 78662494.53 64887468.86 51924398.79 56925509.38 77355728.2 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216756.3189 131817.108 366482.3703 261359.4867 159225.3821 293346.8968 205139.4548 161324.5079 149840.3152 148410.5783 144383.7447 183094.6511 183515.4099 186019.2602 215893.9818 276707.6321 418683.308 483560.0757 322361.8082 338299.3781 225052.692 233630.2031 260957.6447 224877.8355 238187.7669 230414.992 235092.8172 235875.1938 275.7783749 256.3520757 273.0287303 274.7799745 270.3776706 268.7242358 TG(46:5)>TG(10:0_18:2_18:3)_M+NH3_feature1 1143287.127 2144277.391 873284.1304 1933180.998 1086976.597 1158992.419 418542.1895 506503.4744 658560.8458 316474.1156 299769.7179 1228932.915 2688071.049 1398668.22 840073.0875 394923.7273 389373.038 944262.0154 401746.076 456221.5443 1382638.087 1045586.191 937113.8218 1204874.808 552145.34 1584555.295 998207.0459 805375.0922 977269.0535 703736.3065 643189.4303 553752.3187 530624.7924 588518.3772 522778.6846 630083.1421 382484.6086 601353.359 951157.6168 2066240.878 2014906.934 1041145.352 1420792.689 985335.0776 1048444.073 945396.4563 1019131.644 1022756.474 1014896.733 1019401.231 972565.822 630.1288059 585.7060604 623.7704511 708.9983337 614.5288921 610.7147301 TG(46:4)>TG(10:0_18:2_18:2)_M+NH3_feature1 230239.8187 4705286.416 2741551.498 549876.9909 2080832.683 2248697.687 1673328.751 337848.3433 1153408.17 1324022.605 1322929.593 4007750.837 5298490.391 3443348.161 3411825.876 1968560.464 1364895.58 6662777.51 1906697.172 1554227.386 288785.9566 2448006.889 3218109.762 3194220.655 2151060.778 4288452.893 4033565.841 2437206.702 2879139.514 2355279.466 276371.4308 2703074.224 1585207.597 2011928.93 2291737.261 2424848.45 2273664.934 2446166.004 3532185.394 3951036.123 427797.8927 181704.2178 421258.2917 188590.6241 2639032.549 3290163.479 2938329.982 2907223.244 2843972.687 2897987.039 195212.794 386.9899598 401.1760905 431.2939811 356.3998372 380.9569457 350.4360137 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 726430.4166 1053483.699 875277.1824 894497.4918 755091.0981 701315.9108 408865.273 498744.7986 524636.5624 384541.5964 406117.5972 634573.9215 531902.3386 330409.4897 597083.8124 261195.9684 437462.0067 467535.3953 382473.384 734564.1823 935166.143 475546.3323 789537.4598 706088.3554 392888.1743 567441.0675 509822.2261 523089.6027 263198.9113 248617.0945 1056664.275 395941.8653 389535.542 409078.2455 627095.1782 242991.0346 392804.5234 600844.1113 516170.4596 579925.2204 816912.1142 433303.9985 827922.8152 464301.0383 615190.849 490783.3795 527906.1662 654065.4379 480872.9752 516901.8263 501246.4798 390.8143619 436.8802298 469.7183956 676.7223689 782.6244543 765.0503928 TG(46:2)_feature2 74161220.83 89809281.42 78733559.65 115645670.1 89889389.09 76363569.16 85061815.04 111025295 89640065.18 50305764.53 70794556.85 62378213.91 65587524.7 60634585.92 73483420.89 51300371.87 85214667.91 88473049.85 76095983.2 93616624.21 91291850.67 53560572.05 68792427.79 60525340.03 58818677.24 69851212.64 57187258.83 70523972.66 62050399.55 49657359.54 98883729.01 80864231.77 65656193.66 67815207.49 95327607.75 79326671.33 78264717.52 74632517.8 102213946.1 84149179.47 94794258.98 113203565.2 124264030.1 78607286.57 77890480.74 79530110.67 75860047.49 78418108.77 77077873.61 82428325.97 76156596.61 1322.866059 1334.14335 1567.299555 1870.714681 1662.458584 1510.963904 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 547618.2415 544167.1592 607574.7705 546344.9368 594018.7351 438016.038 785509.7165 403702.9339 662728.5379 404043.2914 658990.6278 312979.6455 199261.2756 314127.0899 438365.9581 484418.2348 878403.37 340656.7034 641456.5216 794972.0181 389035.3241 332699.0986 380597.6894 429122.5492 462656.6407 331324.1586 287464.674 347989.5644 222800.761 330293.5639 747254.7608 523754.9155 520456.2954 594193.3233 762048.1045 700962.9665 567275.3368 575112.9327 584438.3297 327413.6584 402685.6301 351495.2882 438398.9689 462706.7499 477311.9901 495372.7205 484728.5639 473625.5291 471523.9713 472350.0035 475949.4112 125.8393377 125.1827541 138.4759575 278.0884028 382.7137459 684.9524389 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)_feature2 29085736.45 28340013.91 32069296.44 39919984.74 35605449.21 27556009.84 52448997.5 62292229.28 39694827.42 55319462.21 41672941.34 22767396.71 18873439.84 20353184.99 29084751.16 24715692.4 49567506.45 39205845.02 40787916.17 47753225.42 26252219.03 18605911.11 23545964.8 24395548.94 24352108.19 21312420.95 17913945.62 22300060.11 19562110 17783282.25 47636278.27 36540421.93 28175641.91 31440538.31 45268064.32 37752070.24 35096905.41 32561091.22 43234303.42 28523633.1 28630930.26 51993958.89 46257396.62 31546135.56 31398216.65 32767364.09 32949230.46 30484242.81 33583613.84 32855666.59 30333005.28 1306.768382 1456.296536 1525.491433 1426.672366 3855.04317 1087.63172 TG(45:3)>TG(10:0_17:1_18:2)_and_TG(9:0_18:1_18:2)_M+NH3_feature1 411797.3934 480897.0127 353047.4507 1046490.697 322422.039 365945.0577 244984.5004 283876.3135 301675.769 195817.9942 202477.5803 506443.9939 676132.286 410783.0146 369181.5316 167965.4367 194899.2503 396964.7299 215915.7073 206623.3459 542747.54 326236.4031 371987.2911 482968.7807 340498.2158 482827.4551 399680.2125 465246.1714 388867.5494 193995.7993 277758.554 249826.1556 275530.4828 262041.7925 224922.1319 258951.3656 333912.5549 269828.1254 441908.9048 855477.1581 675429.5948 814590.5415 895373.3351 393009.2627 357545.566 239454.9253 318491.5844 359917.9492 341075.9257 352320.4831 344567.5582 529.6431534 556.1211253 569.8922816 557.386096 538.906928 544.3520192 TG(45:2)_M+NH3_feature1 1700115.312 1668047.161 1626415.311 2652815.533 1175076.432 1013942.153 1160440.725 1461514.439 1282695.2 1102409.402 986652.0296 1574335.149 1914447.607 1496818.631 1660162.835 645801.3282 983645.4454 1598005.657 944074.2578 988975.2863 2088720.417 1287188.044 1664588.738 1706615.951 1499020.881 1876568.571 1546910.479 1706915.217 1579281.375 892330.3303 1335314.592 1188103.853 1161335.44 1059388.555 1052443.177 1251441.187 1413302.691 1172573.781 1698341.693 2412794.796 2084077.909 2414482.242 2236652.087 1586615.731 1116500.802 1037577.688 1025511.53 1360359.321 1411806.1 1359282.639 1157541.857 441.7446449 477.6477979 468.0617211 485.853881 433.7695582 414.6065119 TG(44:4)>TG(8:0_18:2_18:2)_M+NH3_feature1 1444367.046 3347192.954 1172451.182 2540874.68 1149966.423 1423820.442 804017.9362 950748.1565 1103884.224 636282.0442 469205.8224 2227816.453 3233691.115 1642991.232 1563325.049 383514.7504 687760.5719 1296886.268 675220.9957 723055.7907 2379186.201 1410660.953 1661657.389 1561858.589 799181.337 2156000.582 1540453.809 1426654.196 1677710.279 820687.444 919027.9414 771938.6009 805560.6642 753771.8683 798083.3434 741430.213 926591.0107 939880.4539 1475134.429 2822864.111 2695830.192 2407315.193 2288999.518 1323097.019 1295914.187 1112660.134 1331216.082 1286529.397 1245624.246 1274906.201 1284468.075 401.351744 568.8446276 785.8897229 396.4900932 509.2124464 484.6538981 TG(44:2)>TG(10:0_16:1_18:1)_feature2 28340895.24 43576946.44 28077288.3 51782215.94 29269938.36 27753795.28 21625055.3 31460812.49 27239717.6 22814360.41 17557376.62 27848744.91 33947398.17 23128668.15 27843369.3 11698705.25 21405334.81 28722515.69 18524812.92 21964232.93 40967976.45 21200951.22 29796789.05 29316810.75 21582514 32562428.48 26046961.93 29879745.6 24977037.75 16420130.82 27984435.65 22033781.75 17665020.95 17888413.69 23192976.98 23342304.64 23595747.44 22876274.58 32298337.66 40137525.78 44457493.67 50009635.8 53202501.11 25983520.36 26282907.99 26568005.83 27555155.57 25727408.17 26821940.5 25784654.35 26445328.39 1319.260513 1339.229071 1358.160886 1520.65114 1511.839858 1847.090372 TG(44:2)_M+NH3_feature1 2059752.632 3828678.838 1687336.316 3172281.335 2227986.703 2303672.081 2112635.492 2682892.515 2385260.761 2460125.177 1564412.385 1647510.913 2780651.763 1899666.522 1554398.426 1460150.68 2387827.882 2568250.338 2066017.775 2555139.121 2883394.159 1620263.814 1773886.6 2245549.162 1517696.111 1794151.64 1327849.952 2004729.92 2036171.415 1571037.516 2496658.447 2313179.022 1795346.086 2010832.788 2506225.248 2283027.622 2119410.386 2348725.674 2883969.706 2622894.128 3337373.907 2294218.192 3011860.769 2197915.148 2131882.919 2169049.081 1563968.903 2217972.66 1649617.408 2286097.495 2401790.53 301.7066149 325.5786266 355.5910865 497.613663 493.1443367 475.2080391 TG(44:1)>TG(10:0_16:0_18:1)_feature3 15200468.79 17079939.78 16998653.58 24174064.86 17042890.44 13558093.99 19633283.91 27860773.06 16466331.65 24525633.02 16673969.04 10836388.17 9196619.852 10043182.98 13817343.25 8787280.771 18823616.49 17635130.1 14536262.51 17687688.16 15460373.3 8710536.578 11454760.29 13324214.4 12238099.65 11627147.88 8824522.02 13955172.53 8201937.533 6609408.177 20257697.39 14094385.56 10903537.35 12237071.91 19176636.85 16139209.23 14060087.74 12810047.59 20539708.93 15755914.21 17007417.5 31780850.37 34320146.61 15026266.13 14985540.73 15224763.42 15317000.29 15148024.81 15754929.38 14759043.92 14878702.32 2390.035631 1835.905163 2990.332632 2904.734819 2482.043183 2769.613409 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature2 72679.62026 117420.684 104867.2921 93182.53531 124395.9753 145171.6883 167847.8135 244199.4501 208383.8047 352424.8405 127371.9524 50383.11008 54923.91707 67383.76141 73615.7135 392190.2202 229639.5415 209215.0868 206470.0636 282460.4387 85371.01384 84901.3797 109740.0885 93942.05432 66646.23471 77423.21539 79058.10632 92703.92199 65714.43387 85559.47369 247628.2217 183598.5174 108087.9466 146458.3424 240155.0743 211578.4421 211337.6795 198850.1798 218897.8121 72111.64009 105408.1848 184065.3398 230668.0726 113298.4117 134003.2158 119963.7654 123900.3485 116238.7548 126945.9286 141945.0675 103219.7097 234.7386235 218.1712274 285.7390193 377.9218721 375.5527159 488.6336588 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature1 591845.3861 759789.7623 577136.6456 878466.1716 504184.4087 390235.2937 661022.9349 1105957.85 302831.6126 752239.926 599896.4811 338000.4667 354695.3862 322829.68 471971.951 397319.0336 698589.8087 264416.9639 465011.0519 218662.3436 566387.1291 359033.5838 450042.6422 435143.2841 385048.2151 407827.6838 297659.4972 424774.5601 271563.8291 293372.3213 297984.3343 239417.7094 450077.4056 216368.9089 276184.2914 482387.0636 445950.2018 452450.4686 518245.7284 436208.0628 476435.4393 871462.5379 1239258.042 476587.2189 450051.6679 446870.6003 423797.9698 283790.7012 453010.903 466542.7153 529901.9202 480.4910856 245.7043226 162.8372623 508.6062815 564.0549112 545.1375178 TG(43:2)_M+NH3_feature1 641760.8614 941452.6061 486146.4392 1000173.753 396794.3425 546775.423 296688.9346 325472.7249 311130.0919 215481.7629 258092.8471 625497.6225 894601.0931 587646.8862 483068.7867 144522.1053 203690.1677 522967.8132 202138.9768 255397.0926 701545.1228 359707.6645 561555.423 480389.7917 358795.045 489727.7018 427073.5152 525991.2376 405238.3262 266598.4916 318412.212 343591.1173 277831.7792 348384.066 259381.6187 300947.146 310625.5428 286219.812 619075.896 938585.3451 973168.1537 927480.4715 915916.9596 436770.6086 484845.7593 477456.3456 395959.1069 532270.1837 369795.034 501955.0121 458297.8937 353.8005023 371.7597594 396.8507436 997.1109179 379.3691049 383.5589397 TG(42:6)>TG(4:0_16:0_22:6)_feature1 1727950.165 4490182.031 1918558.045 4274288.22 3663492.152 3889189.87 2399231.739 2541313.423 2538443.839 2354594.236 1481736.911 4327771.166 5044840.346 3506422.393 3273451.239 1703719.903 2600013.419 5895584.507 2841129.222 3285352.174 5324291.582 2177770.714 4023449.115 3525674.221 1603460.555 4152777.226 4214674.604 3935245.577 4266056.594 2301619.975 3273376.89 3238979.501 2286745.222 3463244.62 3350723.927 3655169.589 3349229.05 3442296.786 5422788.957 5900415.237 6352382.406 5574853.593 6194136.953 3172485.921 3264413.988 3262338.898 3263376.716 3452324.599 3409328.951 2520966.639 3594375.773 2636.816699 2099.347646 1781.968223 1312.626861 2005.437554 2127.439944 TG(42:5)_M+NH3_feature2 1105678.327 2244894.214 1142534.507 2523755.316 2178373.674 2845001.471 1149247.934 1439072.208 1748075.007 1284303.685 828200.7358 2171859.358 2260765.783 1911191.128 2054260.327 986768.6528 1190351.939 2899653.477 1335884.315 1617566.475 2977065.882 1464480.584 2666332.672 2369278.829 1176198.803 2598340.39 2606852.046 2522097.348 2701852.075 1412632.95 1717881.816 1746792.005 1255503.671 1411810.541 1714681.424 1857496.534 1403730.013 1509153.709 2652002.887 3244250.896 3160291.529 3317649.176 3416901.164 1916102.329 1897591.856 1855694.773 1847607.909 1855440.687 1970553.422 1859264.926 1887471.667 251.769558 460.694045 457.0653676 268.7180848 436.5092549 438.8902217 TG(42:4)_M+NH3_feature2 1961280.732 3300625.511 1707538.821 3862573.025 2654194.014 3207010.963 1268450.694 1901374.616 1425036.877 2309975.318 864669.4612 3188657.345 3774528.619 2722441.185 2183515.212 1234549.853 1535040.106 3307556.923 1438803.938 1275481.198 4237022.395 2024332.287 3275403.397 2892387.575 984304.3297 3102793.615 4333375.237 2216827.627 1539182.572 1426085.532 1389517.423 1312493.289 1603002.855 1344327.64 1591929.494 1253806.407 1158421.839 1283212.774 3285094.627 4640331.534 4560488.031 2756303.361 4565280.501 1921107.933 1735794.232 2200501.992 1863682.575 1571388.116 1287596.608 2206078.593 2106595.117 400.9944599 591.0849332 657.3478298 390.2247099 548.606258 577.3693092 TG(42:3)_M+NH3_feature1 3651593.193 5094378.041 4053996.158 5438966.513 4060395.9 5243171.859 3778470.596 3878329.423 4396151.719 4056729.467 3077695.455 4513205.55 4626931.419 4770645.179 3981665.763 3355330.668 3661415.805 5148743.882 3630300.352 4112881.245 5489231.446 3671099.031 5052517.09 4968776.919 3804338.142 4446452.316 5301289.315 4652835.477 4731247.084 3788960.637 4644616.296 4326169.688 3723572.741 4482932.634 4341932.411 3907978.366 4024520.514 4594719.568 5086260.06 6086288.208 6659851.038 5522258.79 6256782.181 4097247.347 4219298.568 4006744.772 3927921.56 3793086.098 3837014.875 4304292.683 4305449.533 520.4384513 1033.990652 1175.809956 834.9519103 1187.14802 1263.180118 TG(42:2)_M+NH3_feature2 8813304.617 17950111.54 6673961.826 15874905.66 9035503.041 10469382.57 9062993.166 10589884.39 11969242.88 7592962.854 4818041.112 10978962.05 10454728.64 9093396.147 9625903.967 4812276.526 7020616.427 13932593.34 6665842.951 4766938.206 13712785.7 6048389.735 8853963.425 10883865.62 3953950.061 8085924.281 8688202.33 8366917.014 5671361.829 4250560.805 10842771.33 8780808.491 6074916.905 6214322.659 9137276.152 4859562.952 9459723.228 7841734.193 14777173.13 16475683.48 15081027.34 14916511.96 16629048.08 6962037.555 10194239.02 8257872.01 5925450.469 8232027.081 7684184.523 8067888.178 8557465.277 665.8395554 750.0132672 810.879579 590.1091435 1285.675388 607.3327202 TG(42:1)_M+NH3_feature1 729108.7129 863536.0094 805692.194 1251597.567 955881.8887 1288035.44 1649612.34 1712299.913 979869.3807 2348418.771 1091642.241 588487.3534 464496.7616 522435.6647 711089.0209 970524.0049 2174131.509 1694674.406 1539086.642 1645423.762 940980.777 426860.9839 907833.3745 793234.9924 501014.1799 705211.2485 526015.2095 658345.5362 580394.7444 434373.4841 1530875.167 1079597.818 885966.3696 1161146.76 1474334.86 1522031.456 904580.0009 943516.8271 2495141.213 695985.9222 928088.6722 1830799.507 2148569.644 972947.6059 1059236.647 1077196.598 972778.761 862459.916 1044289.751 1065350.286 1029028.297 246.8463359 186.0375175 196.6995574 520.5099363 282.2236592 318.613159 TG(42:1)_M+NH3_feature2 6181204.11 10403347.91 5958701.352 12347912.82 5923877.65 6237748.385 5690694.077 10916478.47 5221546.965 8072295.297 4717345.02 5416124.167 6159647.549 4639113.045 6001886.317 2150062.096 7317040.695 6257678.117 5636231.034 6197977.418 7962024.136 3819096.485 5231606.25 6218527.356 3939357.562 6048329.953 4169563.405 4881241.439 3842555.933 2657282.718 8020882.231 5981665.101 4049123.768 4617541.006 6520294.674 6423908.34 5993111.997 5719331.973 8806991.528 6826191.303 9593865.516 17285720.01 18361512.19 5967120.998 6590613.329 6654976.789 6463776.682 5013242.788 6647895.182 6088652.729 6655585.422 696.7227952 723.7402299 441.2287993 2280.286311 1093.690075 689.9229915 TG(42:0)>TG(10:0_16:0_16:0)_and_TG(12:0_14:0_16:0)_M+NH3_feature1 3712213.637 3293447.427 4271041.47 3680235.641 3434955.401 2168077.631 3421310.005 4323706.377 3126587.258 4300618.147 2859471.337 1823391.75 1747774.151 1675967.813 2457344.46 1572607.012 3342836.003 2976886.448 2772529.191 3690081.925 2566951.994 1489385.649 2006651.189 2026545.833 2037416.221 1871046.734 1311076.474 2196283.716 1514987.773 1209984.161 3269398.042 2394612.922 2131218.978 2252257.309 3077346.888 2893633.454 2203761.941 2469155.796 3021675.372 3390809.161 3252388.527 4090120.902 3216178.953 2644699.588 2550151.159 2420071.002 2887540.421 2566645.685 2678723.727 2544012.688 2554351.922 1466.794852 4144.783733 1428.474618 1960.153431 4317.7037 1593.248282 TG(41:3)>TG(5:0_18:1_18:2)_M+NH3_feature1 366974.0447 812868.054 283333.3037 752455.867 335222.3478 593475.0039 308462.4347 434549.734 383187.3957 312463.3105 269643 531305.3223 1289599.619 411887.8117 371130.2625 181877.9963 258001.1636 622093.2969 260352.1435 381895.4217 631223.5388 253632.7658 444628.1783 504027.1276 346240.6077 488106.8733 475759.5537 567057.3183 463405.9166 180993.4928 445132.2263 378237.6353 297441.5165 318290.1029 297233.9066 368286.3858 377349.6177 364966.1128 739867.8017 1007024.869 1148967.906 940588.6397 1044600.017 399385.5677 434016.2033 391296.9234 408706.7438 401354.192 415623.6282 398345.6912 417540.5774 285.7913873 373.8717701 431.5363555 303.9561229 461.0269278 779.1957182 TG(41:2)_M+NH3_feature1 244067.3435 917238.4917 555858.1696 527676.9738 648671.5805 824225.0364 487337.8224 695481.2339 670822.6237 468572.9837 398891.137 733022.7063 1061979.872 650401.8866 650368.49 330899.5153 400804.3516 1316186.577 457608.7305 637675.4186 656905.1637 545793.6982 639644.9783 418652.1218 433115.0944 790054.0882 1039009.824 505626.526 371820.1046 367822.6983 738631.1801 505421.0417 500694.427 505310.3998 553705.4344 627121.5042 608441.4011 663335.149 919639.0696 709582.3087 1344975.375 1188586.454 1193495.708 684305.0093 680316.9618 673567.5152 685353.1312 587724.9646 735352.6643 705464.8721 654690.0631 613.5315395 616.9420509 715.3043694 804.1421296 613.5679129 622.9233781 TG(40:5)>TG(4:0_18:2_18:3)_M+NH3_feature1 544890.2023 1315690.93 465077.4391 1441364.848 683818.7517 1153441.509 605676.3467 570796.6667 672086.4539 442467.9684 283529.6816 1473812.086 2161413.92 1167857.51 914233.6954 312765.8339 467781.0916 1399043.539 451857.1954 566545.9338 1173825.892 422374.4364 831694.2885 1016375.409 437201.1589 939759.7752 928319.7276 805022.2173 940889.9529 377989.5988 743660.7636 605027.0709 424538.8549 614327.8422 501323.8189 524330.923 608515.5103 536447.9808 1306523.686 2083411.442 2227965.723 1856974.835 1940957.981 837739.1011 875916.7195 781504.7506 814630.317 867234.1004 846752.117 835393.6175 829698.8864 240.075165 564.7753499 572.1416396 267.6563692 515.6030247 551.142703 TG(40:4)>TG(4:0_18:2_18:2)_feature1 8656551.925 17308806.08 8707671.201 19645661.69 11936793.6 17682285.13 9833574.969 10314145.06 12160843.75 8811479.633 5414404.735 16941423.95 19374037.42 15170581.5 12995384.04 7099611.413 8384183.496 20340735.86 8536744.19 10121815.96 20738492.94 9321936.699 15092850.84 15083232.62 8969355.022 16968259.46 17928308.66 15863467.77 16893128.87 8055134.234 13410792.19 12854938.03 9007099.395 10888158.26 10623899.61 10979818.01 10952432.49 11369280.69 18384288.02 24593271.36 24496641.3 22176635.53 24598553.2 13039179.73 12941338.99 12006860.33 13008924.48 12374982.09 12381142.53 13549596.03 12590900.01 1034.153965 1131.00906 1122.805245 981.3438042 1317.167441 1079.38517 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 29340051.52 44735293.2 28874528.37 51147275.31 25049111.5 43084929.27 21279000.01 32841576.22 25877819.16 30803782.82 16823513.24 35351790.12 43214250.26 37890010.89 31132063.09 16468503.37 20407637.58 52408983.87 23372964.05 32027549.66 47667926.82 27337346.31 39353663.69 41541049.05 21557919.66 39427566.42 48280141.32 39317821.42 39496990.55 24274494.15 39895917.08 35097727.32 26625613.16 32718668.97 36295981.57 31711449.67 29704662.57 34843179.92 51251459.75 57535108.01 58000214.54 53959822.7 59856190.77 28893032.83 33850142.03 32412856.18 32358693.39 32535753.23 29552099.73 29503149 33479880.03 1220.110094 1802.845724 1758.750073 1395.15225 1969.106837 2131.829283 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature1 7864912.014 11286204.43 8399624.194 12629757.17 10036703.75 11260393.81 9557943.525 10042809.12 10551986.08 10296116.95 5265596.469 9610039.75 10143770.49 9895863.585 8144714.229 7873176.122 9799797.387 13298640.5 6314301.836 10853428.67 10736233.4 7365275.949 9662764.944 10942772.97 5641899.312 10162598.45 10621390.45 8573981.832 10275724.9 8055339.197 11496640.16 9814217.064 8112015.699 9261241.723 9468952.946 10364579.59 9428129.315 10962911.38 12471229.07 13335338.19 9539919.147 14484504.88 13805467.03 6556090.685 8763205.419 8956857.678 8094310.652 8413943.856 6972933.764 7763533.151 7964978.07 397.3951039 589.3275106 577.0248517 726.7134664 870.2971786 925.1790905 TG(40:2)>TG(4:0_18:1_18:1)_feature2 16386503.11 30679292.76 14865842.05 32609050.52 21445523.81 24757168.96 19656557.53 29692354.01 19979149.79 21500682.5 14324495.52 23009496.38 18879295.41 18717166.03 17493485.03 13390541.28 24981531.74 34351148.85 19876656.83 23541910.22 30176563.55 8889432.667 21821826.54 18988386.35 12942255.48 19302833.27 16666072 22611214.93 17016608.85 7905866.675 30520144.35 21338279.38 11758815.43 23268655.61 20896784.4 26755764.75 22466862.57 17541041.35 38378044.45 34031144.05 30627040.39 43477307.67 38077741.14 21506717.59 21070832.76 18950505.06 23497343.16 18481867.63 20932972.72 20840683.7 21641903.2 1307.539884 1276.777293 1376.411089 1375.047978 1451.401172 1421.549487 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature2 9631907.642 16358307.91 7561704.834 20828869.47 13900623.24 15494062.7 11562502.86 13157773.15 17719363.26 11749930.71 6858371.7 11685112.26 13707659.4 11961289.87 10359110.55 7461589.832 12842419.55 21297897.44 10686494.7 14219461.88 19870068.09 11871700.13 13773642.37 15514016.18 6090729.566 19755221.01 19150747.09 13344230.37 16602849.57 9590120.387 17368652.35 13940117.18 11852963.58 13414141.47 13072808.12 12541702.45 13399721.92 17806984.41 22934087.72 22211207.6 25150113.65 21867462.26 22856194.47 13111749.95 13374126.68 13455842.67 13314779.95 12786257.95 14803495.44 13321060.13 12505905.22 511.2057641 490.082181 418.7959 427.4477173 513.455752 401.9248451 TG(40:1)_M+NH3_feature2 3389766.762 6163293.93 2510890.128 8056912.441 3869877.581 3469538.414 6060649.191 7120948.878 4717228.539 7445295.209 2090134.905 3266728.922 3259079.371 2518077.573 3491450.499 2752702.473 5867729.179 7528723.432 4596945.072 4964426.648 5106316.176 1781060.911 2288158.377 3366614.899 1991450.509 3230907.327 2637534.302 3556100.907 2604196.815 1299918.388 5474512.888 4046198.128 2619057.316 3865082.819 4705598.516 4204365.221 3561802.959 2348615.042 8245636.864 4995588.5 5482113.06 11525782.38 12854619.73 3889014.283 4272187.894 4102754.824 4367677.696 4110747.299 4121880.371 3950683.857 4143813.753 239.2624024 275.2937451 300.2217044 357.2538058 278.3494571 1411.505306 TG(40:1)_M+NH3_feature1 3502440.353 6591179.524 5365380.733 7602963.846 4203071.377 6281955.96 7627450.577 7448405.338 6880149.633 7225970.809 3712757.391 4868171.232 3954759.185 4252289.702 5905812.067 3662128.012 8641089.33 7637134.168 4212624.56 6335192.087 6337044.218 4253580.271 5020086.414 6115797.122 4536522.231 5291294.622 3684885.412 4763690.574 4096959.741 3517187.085 6757762.22 4194767.689 3141261.685 6200978.088 6835669.92 6492274.025 4651040.226 5557154.971 7630420.797 6274167.508 6202397.117 6248041.163 5702679.457 4163093.68 4178793.736 6757378.244 5698019.221 5751123.996 4584281.478 4569617.021 4441454.199 232.1162294 171.468619 212.8916092 357.6516529 301.0991759 290.4132585 TG(40:1)_feature3 5235211.598 9184561.953 5584654.378 12828400.36 7995907.3 10321945.89 8664125.562 11379842.25 12063669.14 10218542.86 6208878.132 6879004.961 6391251.559 6050628.652 6071020.238 5321643.255 9494465.242 15517553.41 9386587.592 11858983.8 9867647.067 4535534.011 8358055.842 8347526.318 4568894.866 8478890.057 8523759.92 7735843.291 7936395.86 4158700.969 13078150.09 11349525.85 6459979.83 8098026.598 11324382.57 10208596.45 9582310.387 10008677.42 15848101.42 13276417.11 13739620.89 17143168.36 18164185.75 9026539.996 9366281.094 8891219.473 9292019.751 8304611.13 9044641.768 9339989.656 9216334.297 1022.898901 1051.902146 1163.236316 1785.834553 1035.247537 2161.236118 TG(40:0)_M+NH3_feature2 75776.01072 2818380.167 98180.48147 120804.788 82612.9807 108816.7431 115117.755 169214.716 255502.3527 199308.7323 84752.81001 1045734.742 1382373.572 72456.65924 58132.65526 63147.34195 164172.4681 215753.6777 132697.792 122228.6926 96200.35994 55436.51482 77209.53853 86193.44302 42701.81402 85361.3517 93805.11761 96475.32614 51720.96902 59202.27615 219208.7616 110648.3714 70677.42187 99860.71787 147454.4078 145149.1346 114293.7672 93490.02987 181746.6048 109758.5146 127931.8723 129406.6092 296664.9941 121066.1147 102601.6188 109699.9606 124098.4227 149918.6194 115440.1906 98178.53143 109574.1465 1363.59714 836.9044438 863.6579195 1211.938524 2373.362281 1954.733019 TG(40:0)_M+NH3_feature1 1809927.547 2760429.976 1759168.601 2784225.828 1578632.327 1062004.012 1657997.261 2137483.464 1564081.071 1325729.956 964614.9022 1115305.089 1505488.821 991923.497 1392621.82 486994.4173 1310906.683 1430885.588 985772.6609 1187689.692 1715021.214 790036.2408 1280942.679 1323679.432 912132.9705 1184576.829 834402.4939 1235474.64 929626.7087 572058.1375 1396455.253 888316.9866 761020.875 847550.4837 1305602.562 1128639.144 939157.9679 981475.7666 1562547.053 2286268.547 1957312.403 3359038.875 2698629.488 1281144.001 1462604.239 1173900.956 1336201.421 1192433.12 1225438.079 1386112.1 1364735.967 6189.279083 8005.448411 7166.758117 8492.177126 6571.39793 7203.499527 TG(39:2)_M+NH3_feature1 1169012.41 2642744.225 930489.6917 2609839.628 1248024.634 1799679.538 1233103.151 1531159.811 1519773.248 1183260.661 800209.6057 1707722.005 2319594.566 1021410.123 1171330.526 629803.0395 1099229.219 2253508.11 1076863.117 1503678.948 2006069.244 843094.801 1392626.047 1472983.998 881058.6106 1547937.753 1573114.639 1491496.255 1530492.276 632400.6344 1617479.627 1486644.602 1021345.974 1197256.773 1213135.831 1321748.217 1380341.755 1297115.047 2463336.256 2763430.439 2982598.48 2832833.056 2843552.978 1361750.368 1398210.821 1310367.818 1406779.709 1365480.59 1411525.609 1371565.837 1337492.271 350.0778745 854.5014228 832.5734197 371.6716193 829.3766368 905.4220411 TG(39:1)_M+NH3_feature2 555366.4586 1294032.771 536760.817 1027499.218 664639.1584 958252.973 800136.4607 816036.9439 770577.0371 748601.0749 449638.4335 756805.9396 872084.1336 565810.3817 612352.2922 365974.9225 660027.3365 1218763.665 602981.8778 769089.7425 874294.4467 343707.8742 564093.2597 759488.2325 434436.2967 649217.8097 586221.4417 761430.1611 565430.5392 283503.1399 822733.7842 712852.4901 503846.7703 562516.0948 669046.0956 644441.302 612824.4876 665400.6393 1299450.374 1035329.108 1071521.902 1457539.576 1482607.59 758692.6483 710512.3572 699325.7641 769220.3284 590346.3225 741628.3364 753970.8486 740965.5191 1110.377474 1147.448552 1787.29374 790.236422 549.6560521 1654.426452 TG(39:1)_M+NH3_feature1 149066.4927 211855.3841 174377.8125 235261.9454 182115.9661 201086.9312 249570.4585 382319.9801 197802.2179 337073.4587 180512.0568 192430.6984 205820.1988 149905.5438 168958.3303 128059.2421 304618.5436 285063.4278 225625.9917 346793.6453 200365.7719 95096.36047 174721.54 182378.2659 129311.0886 174473.9929 158010.1584 173794.3582 185669.0013 102158.5721 248183.0308 275386.4686 174885.805 179497.7598 223584.4466 260113.1027 148004.7203 180864.0063 282234.731 237081.1838 296339.8999 253783.9754 351963.7804 200142.3941 196143.0702 197513.2302 171053.4404 175851.0421 192133.9655 196283.9423 213975.2507 437.3847144 1095.612277 1191.694455 757.5946764 1917.265345 1801.403189 TG(38:4)>TG(2:0_18:2_18:2)_feature1 738194.325 1663763.883 752091.1729 1392476.001 971008.5414 818337.5023 713815.6522 704647.4108 676676.2293 611528.1109 346388.4161 1615848.47 2273721.87 1271955.12 984561.6538 503831.3667 572194.6561 1182961.059 567200.0922 863725.4387 1415831.989 766641.5701 1175477.778 1272755.197 948606.4278 1322225.843 2004363.845 1314012.115 1470009.484 737195.5296 920250.3783 877728.6305 689023.3756 756133.4349 693598.9235 810855.0489 808103.9241 888104.6348 1018841.924 2584726.843 2630327.328 1619341.759 1844545.79 1049759.568 1128670.687 1103455.837 1131628.284 1137186.399 1152103.523 1005182.198 1109769.666 565.2525648 557.2546982 600.1003948 587.0835612 602.8895627 571.6256998 TG(38:3)>TG(4:0_16:1_18:2)_feature1 6663067.926 12284293.04 6319531.804 13161974.68 8244569.346 9463226.193 4289970.673 8574896.635 5901790.275 7524572.098 3972736.972 9292315.459 13522491.11 8909654.891 8499479.99 4211448.083 6413433.092 15028485.28 3747822.215 7728618.94 10186872.17 4929234.671 8213209.652 9926684.784 6576853.809 9199774.062 12050832.3 9937926.604 10017780.08 4397226.005 8536335.555 7824036.678 5772939.41 6754758.614 7485262.703 7740192.375 7011806.73 7717884.235 12830359.06 15741328.77 14327318.11 13481728.52 14388572.5 8408700.559 8648390.049 7536474.937 8440826.093 8165960.981 8071220.157 9235316.28 7814341.685 1427.496158 1467.660193 1589.643974 1286.227488 1492.892747 1521.947246 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_feature2 32443833.69 72808104.34 46869735.25 85551506.2 57190143.54 71988647.8 57754469.11 54804247.76 39921379.65 54915431.18 34112258.46 63319868.25 71123259.63 57025243.53 46360137.66 35995145.51 42425019.46 84064166.76 31139474.42 52127045.91 75322406.37 40018029.31 59170080.36 67553727.57 23452161.47 64084493 47319030.98 39165163.82 61455844.28 32286698.06 65720949.89 58482572.39 26506734.48 44894711.68 50202049.43 50191505.07 33362407.88 51603572.68 59326382.32 61005503.14 76625008.58 63172818.8 54769798.57 61301210.6 40689527.57 54319624.55 54054560.79 51110077.94 56854369.79 51033507.38 51974774.76 1656.473417 2452.624122 2375.537925 1397.488964 1962.658352 2140.154294 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature1 2108775.494 2896919.829 2289738.233 3315336.678 2857668.755 2695910.772 2653180.574 2755281.999 2640604.654 2372006.27 1408316.574 2929529.718 2897013.016 2595591.119 2334530.496 1580028.266 2347071.148 3695400.465 2061922.55 2815685.296 2935064.22 1860691.891 2554290.996 2480191.067 2078819.906 2774313.264 2429650.255 2481813.353 2002757.123 1697963.068 2832865.722 2551241.149 2198767.552 2039858.036 2550102.091 2648951.056 2576469.748 2913640.248 3606294.255 3393135.241 3581207.537 3296758.969 2752728.672 2522730.94 2504758.714 2374474.221 2386882.618 2369134.552 2515340.684 2527944.448 2481727.023 193.6790368 180.1084408 208.8043414 259.902591 265.1223513 268.4566557 TG(38:1)>TG(4:0_16:0_18:1)_feature3 1715395.416 2096578.934 1837619.237 2689567.874 1894708.789 1443536.979 2575873.117 2300823.105 1934051.623 2437630.328 1396634.543 1453689.291 1451476.946 1463589.611 1744120.646 1332721.771 2439521.634 2388003.628 1815064.376 1688155.152 1750991.588 1044245.192 1238965.907 1512222.206 1240938.33 1297281.089 1437001.8 1530782.493 1218050.565 899802.8878 1327098.875 1561352.941 1363310.606 1702669.395 2129037.928 1448138.645 1489653.502 1506391.609 1908695.144 1743886.92 1889249.394 2625448.549 3122598.517 1668971.044 1775313.978 1626213.102 1550586.164 1670549.492 1669786.189 1765972.105 1678368.933 204.060726 1813.267645 260.0289169 503.184082 1477.798142 484.9483542 TG(38:1)>TG(4:0_16:0_18:1)_feature2 22881304.64 38645667.21 23179020.46 31588182.26 28711178.97 35022882.48 38012840.83 28260106.4 35457403.31 42831907.13 22201256.63 26732406.67 25143283.67 23318119.51 25785328.64 18778427.86 35838241.13 34323854.31 30493070.97 35694268.74 35473464.75 16937795.73 26201097.65 28891830.85 17073509.19 27408060.75 26648619.2 27030872.45 23617178.24 12788263.65 40082000.65 31456495.97 19980076.91 27144278.82 35559737.67 32020989.48 165701.4888 27877821.88 53858612.81 36021763.02 41568664.01 55093025.62 60279497.66 29359406.96 29190982.89 29964688.39 30050700.6 29918942.36 30928115.22 29379310.9 28568081.82 874.5038502 378.6183263 408.7725539 1097.263548 1062.636795 529.9282891 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 1449684.663 2593519.845 1527860.853 3013503.13 1857262.361 2177331.57 2572299.217 2442691.043 3212704.307 2180617.263 1370200.537 1645783.554 1889058.815 1449649.666 1588323.672 1308878.993 2414810.342 3730136.753 2232860.599 2723750.301 2164589.717 1003402.499 1750643.354 1803152.736 1109606.274 1701094.579 1613113.252 1754763.472 1610988.345 857688.5879 2946779.858 2040530.164 1465366.403 1876771.801 2229596.272 2261162.803 2059784.82 2177369.002 3782464.959 2694454.612 2783614.72 4596330.169 4256186.039 2046766.165 2024654.965 2051557.578 2128242.725 2093803.137 1933624.708 2034835.475 2100993.255 3484.021426 2503.527988 3882.392851 3894.23181 4552.98631 2644.97055 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_feature2 654536.7425 1126291.213 521593.7347 1589786.827 446732.2174 721467.6939 1263886.628 1135324.598 765583.642 1103614.066 363570.9868 772078.6996 606536.792 423865.2471 460229.745 466290.4559 1035326.632 1455521.261 879174.0205 903183.0072 615347.6792 261980.4171 483019.2892 530665.1948 296179.7183 551948.1088 357255.9712 521419.0251 437245.1699 180808.4006 694913.7237 581951.3411 445784.7092 514485.0575 456396.5305 551944.3076 487926.163 381454.8606 1528144.182 661029.8502 629882.585 2230156.446 2341055.734 535765.764 638127.2627 718393.7595 639793.653 513498.6152 889538.3176 532543.7951 533874.3525 2645.277744 3324.997549 3027.424099 3743.117548 3574.651299 5154.396653 TG(36:3)>TG(2:0_16:1_18:2)_M+NH3_feature1 174034.1388 472299.6358 276111.6793 725957.1709 286759.6792 324793.273 344852.3181 505552.3266 240329.9541 334459.3379 254115.4435 417753.7713 544398.0356 194722.2625 298955.1297 108254.7043 327957.277 700042.7096 165491.7663 417648.6822 562791.1498 117204.8026 316208.1768 343314.3295 264151.7603 205438.5261 388477.6347 359723.3603 278156.4312 92929.37004 430086.649 347451.8214 247342.3706 211744.9043 362706.2079 331412.1312 355546.4323 375679.5737 746299.2775 669931.8814 742654.0021 776905.5205 891625.3714 364831.2536 372276.1615 351614.5443 405572.1284 375220.4545 393035.5295 302566.3738 397948.6366 406.0438889 431.9773525 460.4722282 514.5649092 688.9207624 517.9029649 TG(36:2)>TG(2:0_16:0_18:2)_feature3 8966691.518 14849379.14 8883605.865 16205248.54 12154981.47 11341186.77 10009992.62 11352580.8 11770110.23 9574233.486 5210957.796 12557385.34 14572095.4 10214995.87 9722830.945 6135708.2 9689656.793 17198555.44 8678486.968 12101997.56 14850299.7 7161675.741 11176751.17 11284122.74 8262854.062 12856111.94 15892119.37 12825464.77 12285909.1 6446604.994 12759690.15 11456011.13 8806182.318 8522462.77 11582194.9 10861438 10282170.33 11843266.83 16679120.97 18049690.69 18579702.87 16684587.13 17574230.04 11080008.77 11261920.89 10513591.29 11351038.14 10580287.89 11008002.97 11535217.61 10809828.38 1148.768458 1291.960367 1195.8552 1652.952044 1082.704067 2478.47857 TG(36:2)_M+NH3_feature2 890891.9134 1261710.484 889710.9047 2281261.617 1389399.722 1425013.241 1331083.648 1557266.498 1488845.418 1309927.553 892371.5835 1415634.728 1546488.023 1063396.913 1172071.064 688863.9774 1078547.409 2330377.228 1219992.061 1462694.453 1606336.283 657702.6694 1042061.14 1392251.114 750794.0338 1202527.697 1172145.239 767123.9952 1091759.434 494217.6718 1433253.822 1033427.813 777774.1886 1017724.79 956102.9885 1086817.68 1100443.884 1068629.517 2189766.188 2106259.664 2017242.473 2455627.054 2829419.417 1286613.471 1319947.827 1301344.309 983212.8943 1234623.363 1237667.024 1323805.393 1285665.772 210.6827388 309.3857819 329.9867292 319.4874789 275.2324874 649.1255086 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature1 248624.1968 374263.6423 274633.1265 631378.675 317612.4655 227347.5415 465454.0986 503333.2539 317612.0742 391511.1608 298597.3896 247671.2954 276273.2229 219281.8727 262457.7865 173820.1327 386767.9463 581218.5481 280493.9528 384965.7916 365717.7291 112959.468 207657.579 262914.9024 194506.1269 199352.2236 213661.7718 238391.9832 200217.1866 74840.28991 380009.2401 254006.6829 188437.0603 232772.0776 335628.1883 307700.8314 304470.9812 294568.773 637210.0494 368357.4151 382760.9113 637700.1413 738541.3759 315355.9957 306492.2807 321203.4512 332771.2832 297747.0442 304487.1245 329901.3359 311658.779 259.4666903 420.7505056 505.9652933 392.2631853 2151.322767 2076.60114 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature2 10574079.69 12142650.8 7847639.075 17993693 10123181.09 8913241.713 10954045.17 7943220.499 10149573.26 11717475.04 5934349.921 9150898.524 10039487.58 8320616.473 7693501.492 5232592.509 9974090.364 15056766.58 9294159.823 11879759.84 12950340.86 6093179.088 7885512.105 9528736.688 6342195.776 8384273.188 10723640.69 9703669.142 7355769.559 4637737.326 11798815.72 8750817.062 6431998.763 7042348.318 10660298.83 9135893.182 8741808.595 9000108.14 16320065.5 11812050.43 14467170.83 17340982.1 20514228.47 8895762.754 9441366.192 9185816.105 5706058.022 10319065.15 10030128.58 11442972.17 6203244.042 586.8545187 860.6571398 839.7418848 1677.59519 1827.434315 2026.063068 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 4620111.442 7973912.002 4277791.787 8971147.476 4912348.907 5426014.353 7792893.591 7045514.062 6982693.411 6249631.504 3387092.91 5113968.622 5668542.619 3762366.685 4681845.798 3414768.446 6931952.88 10073862.42 5550859.837 6307396.952 6245967.793 2709162.572 4385815.295 4963509.627 3067915.974 4421119.692 4160753.417 4543596.967 4044823.695 2190257.293 6662665.634 4612689.268 3433021.148 4867318.908 5315958.103 5129296.249 4995848.845 4872803.741 8924254.994 6283097.224 7079849.005 11074537.98 11226413.3 5269831.497 5210275.56 5156605.259 5428975.217 5364005.015 5523318.732 5237941.113 5042005.891 3366.658993 3211.821087 3472.834836 4966.58961 6002.656321 5040.924685 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature1 628437.3982 537438.7928 629213.1116 659142.4097 640173.1251 551020.2673 888689.1486 714536.2833 778823.4024 622285.5229 447220.419 376787.7405 487603.2326 516541.1081 538888.7082 437772.9173 767808.2987 969858.8183 637480.5149 712018.561 453332.3858 249591.3873 506287.598 591160.4546 444598.292 491804.6348 487352.3915 364282.8408 497713.0736 297388.3475 688002.3615 506017.0566 505944.5851 595840.8645 613370.5556 586502.7648 581058.6126 626610.1844 775560.6606 455636.4723 461362.1934 644885.4895 683311.6522 413933.5216 622249.2161 584446.5529 576629.4798 587114.6928 376423.2673 555030.2845 550596.2256 2963.942237 2675.322594 3367.393849 4611.834919 5128.434991 4176.659732 TG(36:0)>TG(10:0_12:0_14:0)_and_TG(10:0_10:0_16:0)_M+NH3_feature2 223511.6181 424986.698 163336.8846 382369.3738 320177.7524 215189.7611 311609.5673 469827.0302 484044.1767 343775.2053 160593.1728 202385.9861 276268.5881 151299.6663 197607.5014 115413.0845 347956.1998 420887.3172 353975.2001 257632.6362 396159.5718 164588.1137 163938.2093 241174.2505 86497.0564 150261.1857 133222.9926 161096.448 87221.6338 19412.84456 289185.8593 160187.871 120163.9038 176456.5009 256290.6378 237284.2572 212552.6556 207831.1791 449497.3839 331959.3098 465355.3197 728388.9167 592937.4348 263418.138 260518.8525 206963.3796 335167.2043 239019.2265 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2408593.003 4014665.654 2532137.938 2683669.521 2353273.568 2686740.225 2173488.462 2544631.394 2020014.706 2610746.899 3726301.481 3038516.54 2733814.382 2586436.385 5227092.109 2541609.447 3824092.398 2843996.6 2560570.507 3474679.706 2554265.056 2734012.755 3288130.823 2811416.459 2753529.957 2812244.662 2870598.959 4003696.895 4005736.626 3397242.429 3910574.132 3962970.276 3023949.686 2770649.402 3329371.898 3265061.799 3760122.967 2807364.217 3425159.127 2670448.781 3507.662225 5679.831989 3468.188419 2810.114992 2113.548057 2404.516428 SM(d44:2)_feature1 141504.02 226485.3571 85028.58458 183781.753 201474.1215 155773.9232 190968.6882 206583.8934 343433.0303 100909.9774 219382.7639 190472.3101 274844.7459 149863.3129 110549.3954 151347.8214 215403.7995 380027.8979 228257.6812 206909.2292 221790.5126 135177.7695 122175.5892 58675.66196 72844.12897 200377.3485 230913.1165 107591.2037 285393.0418 116118.4183 411632.5042 402623.8682 235063.2313 151061.072 365721.2845 268784.2998 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993409.542 1245786.669 509283.8316 2384157.408 1360309.48 525246.8306 1017183.208 965135.6689 1070815.885 733655.6788 1123269.887 1133447.957 1763489.386 837901.0638 872033.4969 620657.0219 1049961.033 1869310.334 1090502.393 1110020.43 2067768.499 664426.3887 1038543.332 427812.4077 475048.386 712270.9481 725849.9429 310801.6446 1301733.447 543637.3271 1563357.846 1269391.99 1086938.173 758898.0663 1521526.211 1069152.892 947265.341 1401968.374 2333971.957 1950809.018 1895044.263 1622848.998 1772484.849 844877.2035 1060263.887 1087723.876 1180253.36 1183913.963 869242.4652 1092432.839 893929.6478 432.6744283 410.2629742 426.126467 612.3006486 513.748277 521.5065441 PC(32:1)_feature2 88191.87171 93515.92871 75571.40919 184536.5122 144932.4656 164680.0162 89380.12397 131655.7834 165232.05 101856.9861 130977.7492 117772.9813 118484.6495 128376.9244 102411.4237 59240.85659 129568.2507 191636.1516 135102.1255 115639.6814 309639.074 137839.0198 138689.9058 120213.3495 74703.3328 183081.2385 221769.3774 131558.7813 266797.9465 101668.0179 202929.1184 193859.4551 112190.7615 105125.034 189863.9382 160826.5275 143382.5637 168822.083 270281.3288 225714.6206 227255.7856 201500.6556 178082.0513 147273.6151 158323.5438 149662.6989 133195.9185 137455.637 160922.4363 162561.2068 139132.9557 367.6718526 304.2710491 365.1768872 415.7673561 361.7591537 374.4095933 PC(32:1)_feature1 6421234.621 5137626.478 5145646.427 12256718.57 7808336.057 3797210.959 10796730.72 11678181.29 8142261.273 9063462.165 17715388.44 5504062.331 5700864.443 4606175.013 5932954.668 4158897.762 8509641.78 10570614.13 7069986.68 7176209.085 7492221.186 2538539.643 5866259.258 3620856.406 5563702.898 3634737.579 3584396.427 3289069.021 4622541.733 3351600.492 10713759.36 6177408.848 7232185.118 8146199.494 9893135.747 8254507.532 6387397.86 8227944.833 15038374.78 9442206.436 9092780.135 19925455.02 21506976.67 7730154.507 8181977.599 7640123.601 7751626.481 8480865.666 8053116.961 7750728.796 7713406.659 954.7716474 858.0560699 973.1257397 975.9838588 909.3833666 885.777735 PC(32:0)_feature2 41083244.99 52367903.36 38987255.31 56610259.87 39181435.73 29582068.83 34544513.15 43583824.83 49649487.28 29719157.46 119016930.5 37477295.85 46771011.24 34592048.6 31878857.57 27627078.27 35762344.06 49953545.82 37028104.54 38962697.6 57542846.6 29545034.12 43991274.75 25608053.6 30693145.34 37859657.34 38733128.43 29716474.52 43634585.04 32094738.38 53140936.52 44054409.06 40656830.12 43384393.36 48472253.22 47448627.2 52730557.08 55456325.37 69819081.94 50611575.6 49172947 43010961.55 45217777.45 42818232.12 44353687.29 46030780.66 43904273.97 49508662.21 46211682.9 46207409.07 39754163.32 9309.939155 3190.422636 3911.350698 3933.48412 1695.20024 2165.102203 PC(32:0)_feature1 13421.99773 22533.89017 13493.94679 24496.77981 13899.73385 21433.67083 5686.116729 7687.820446 35581.96904 4192.604189 9007.453874 20695.68867 32075.06107 29667.72127 12770.51423 7405.340809 7741.062195 11604.05641 9043.263406 7343.193263 50622.20062 39723.24513 31746.47828 20236.90648 13868.75365 55498.71105 70503.62192 26509.08608 56014.98607 24104.07445 22964.50544 25019.08752 15523.99182 14565.35374 28534.24825 18119.2901 22960.24497 37260.3724 34095.01198 36963.60877 33673.51082 14248.73029 11925.8336 21841.29722 21739.67051 22953.07025 25916.17758 23026.60483 19929.01249 25409.45355 21099.11815 184.7817758 183.81207 189.0041501 195.3411365 177.7083606 176.1800717 PC(31:0)_feature2 978931.9571 1390706.849 946566.288 1528828.064 968360.985 820847.2537 897326.6104 793537.8982 1214237.305 622243.5394 3518863.333 1123517.12 1519387.975 994897.0828 883311.8213 607980.1478 882837.4109 1555068.734 944057.5604 854559.3489 1522274.017 819951.0216 1275758.954 754584.1401 956326.2987 1001415.549 1266319.675 686656.5651 1282436.063 854088.0378 1160262.304 1103150.061 1478099.882 1248449.476 1114981.916 1339344.193 1391144.162 1487221.527 1912778.477 1683292.666 1684296.95 1186393.466 1098029.695 1249031.912 1167194.074 1299355.168 1336934.323 1247486.141 1247374.365 1259178.211 1211062.818 248.5871886 243.8525504 261.8359608 289.2423598 257.0068381 269.0081279 PC(30:0)_feature1 2135687.794 2860516.144 1452083.351 3903897.353 2226830.115 945220.9703 2010649.074 2053064.039 2512230.472 1364806.268 9059262.434 1570365.45 2375071.273 1442695.796 1571497.273 1094002.084 1770876.386 2918110.779 1926166.097 1928431.343 2542263.064 870378.2457 1796957.714 888155.556 1362377.49 1206954.631 1289935.23 856959.2622 1601104.926 990312.3192 2723858.129 2079740.966 2294543.442 2274279.895 2553202.183 2223477.436 2009901.884 2939727.461 4453124.455 3018965.089 3041863.13 2962448.249 2923721.425 2263521.535 2363455.373 2199691.924 2278291.199 2178081.745 2208880.326 2298031.726 2340672.109 506.3843404 522.2287299 519.851101 577.1920528 525.7761527 521.9314066 PA(34:1)_M+NH3_feature2 60581.65991 38947.67119 41208.50831 100980.344 61545.93336 30160.50719 40811.54716 61932.25577 68144.20975 46257.8243 182787.7462 41989.04729 40146.64358 29662.55704 33697.95647 35513.28455 58819.33315 69114.55444 54390.63751 48042.39272 77362.40326 24753.99234 44610.56055 24277.89015 30665.98414 31206.20782 37525.95829 36382.29397 36875.55047 28959.46406 85552.53102 60654.28127 54562.04162 47933.01054 58796.43249 51905.82874 51884.08266 69084.06646 98544.18467 84408.77645 93981.31578 95496.92016 99986.72598 58442.95794 52560.75842 53082.86631 59912.76325 45328.30912 50299.62174 57258.70462 59777.1263 435.8508442 497.5241484 495.7865947 501.9314026 521.8352929 494.2054344 LPE(O-18:2)_feature1 7042.58921 11936.35353 7246.65104 10849.57264 9374.029639 4254.49247 15799.89525 6598.133406 18116.52168 5457.546236 24878.97501 4196.144585 10034.19753 7266.424728 7603.599021 4634.927926 8057.123335 38618.54334 10345.19462 7966.68096 20538.77819 4764.146358 8299.104552 20733.66282 11835.54219 7119.506098 10214.28788 2902.03191 8887.626898 4984.442457 12886.51619 15213.86244 20409.15817 20570.30554 18063.01367 9879.782809 20030.13875 36820.1103 63070.94761 14161.01331 18164.87739 9683.484107 14418.23068 12579.09067 12078.05449 13076.47373 11118.20235 12902.89649 10985.5555 13416.86318 12388.55358 141.7178979 3659.414259 3231.773933 204.2501139 3346.108358 2504.993292 LPE(18:1)>LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 197583.1695 147310.9726 88796.46148 220109.6011 348975.4247 149344.0794 229588.167 352271.5803 225422.9294 261799.1597 170691.7163 154965.2633 119807.2969 152053.4753 165648.1803 119969.5977 243085.6428 298664.1389 208071.5713 259667.4425 240096.9777 113770.0144 116216.9927 71157.79377 46741.56699 157546.4424 197248.5347 92731.48913 215459.6903 111777.2353 377817.9665 353670.2433 167068.5714 150663.5937 303808.7455 244970.5805 201202.3549 213207.4625 568556.8882 245574.0819 247134.6577 284465.7202 308149.2069 201102.5938 206079.8469 221780.0741 203972.7364 217444.9508 204741.6826 218621.1728 196759.9383 391.3920882 411.2818538 389.0108344 629.3495666 427.5259858 405.5895246 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 321431.4825 267667.2648 182273.7571 348826.6789 473328.0302 316093.6875 379159.4565 590656.3463 560884.6463 368708.0004 576583.8658 292909.5505 291028.1522 319724.6818 281696.0614 288091.4537 466239.6897 616973.3175 478413.3376 495706.6583 485169.6418 262460.1404 294243.9443 187901.0338 130498.6176 387264.3743 429921.756 270755.2872 496765.2938 269972.3496 670091.9086 744734.1743 364670.8974 368995.6513 576017.7544 491157.0465 578667.0923 528242.3784 892643.494 420263.2017 452473.3436 339356.3488 358786.0257 422507.3463 389721.5029 454837.0768 438492.8204 433543.2781 439969.04 383844.643 428937.6238 266.1604321 822.0044423 784.6376934 387.1975197 927.795216 970.6941895 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 88877.6987 82159.91588 48289.82822 102044.4435 152261.9287 78603.89424 124885.8142 179721.0997 149725.4663 146040.3568 143722.376 81196.51451 77249.8162 72909.38516 85751.94886 82335.49966 157484.1764 174325.0041 147008.2623 144277.4779 113306.576 53269.1077 73698.26644 45103.9745 39900.92377 87434.95071 99656.06739 57755.86221 114096.1279 57148.60747 233225.5062 213543.361 87945.19971 105215.149 180070.3791 150562.8151 140058.6131 130979.6106 268415.1498 107464.2543 126169.3276 145003.6148 170159.2739 120248.8808 115193.7826 119192.5276 119002.6891 116701.138 116418.6322 121096.6183 117607.3174 382.7638115 330.7409934 316.7259765 564.7585655 324.9364645 340.579043 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 42662.99801 59177.33501 48223.70385 72505.32593 77230.02796 43616.09545 51826.29889 70315.66383 69315.38325 70700.98432 77793.18725 63320.47847 84816.77752 51288.92404 54266.20949 55617.6047 76612.30417 128960.7301 84761.45235 87602.79556 83814.45218 40567.17514 72856.73274 27804.23147 46117.53631 71955.72925 80685.24803 35432.73227 100473.8276 45349.22948 105148.236 86683.46913 60980.25063 72414.38303 77989.71682 91760.50506 114786.2583 90175.17541 191741.5835 84296.53003 88700.38107 59799.96652 59377.61313 72918.08795 76540.33416 75863.02579 65719.90865 65972.08023 74095.96298 79362.37513 72426.99054 198.1826124 1381.463701 1226.587106 243.9854722 1214.426828 949.4580617 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 276867.2221 409663.3552 376496.8165 566327.1904 504403.3272 392545.7734 380862.453 637760.9099 654948.1233 505351.0757 882010.9648 318296.6956 366296.5917 312121.4024 312627.9434 295036.0946 484313.3194 811282.8397 507952.5725 629597.5412 655795.0578 220279.4352 387008.5126 225848.0134 389321.6067 481411.17 746363.7571 412214.4771 636616.3813 341987.9003 790767.6339 644924.3884 472480.4064 589409.0892 781020.6502 708743.2546 887201.319 826032.8941 1526879.111 736261.7427 740647.1195 532635.2272 631900.2856 550510.8631 521777.8601 592907.6632 565522.1653 583237.9538 509242.028 486540.7082 611493.2861 424.0161042 6031.358192 4994.186219 547.5641783 7045.332884 6734.465407 LPC(20:1)>LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 27795.36903 41720.03161 22078.00415 34285.8719 33120.89199 20914.98534 36031.56843 56129.89206 65140.78434 31094.00494 110091.6311 28063.53126 43434.42824 32982.48528 20985.23747 25336.80749 36244.231 58682.43643 42278.27106 45677.26642 40345.08495 21422.22055 28438.00952 17968.62391 17469.01034 27407.90732 52061.25638 20212.43701 47971.59193 20196.93544 67388.42042 65559.43821 39655.99928 43750.378 62390.18009 42078.55574 51992.92516 68960.16878 126208.5422 51029.16891 48133.74422 36734.90589 35595.80839 41835.47734 41605.94017 41011.36348 42017.52021 39255.1119 44733.35275 36883.31152 43883.72567 294.9795592 1471.326143 1373.147687 333.6806324 1263.448015 1582.304075 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 19478.97948 36972.74175 19668.64276 36669.21548 23085.43333 17670.66941 30710.73554 46734.88131 43214.5091 25442.20734 106156.6622 25944.30852 37654.46014 25109.54812 16673.15591 17144.32898 27526.93929 45627.98122 32442.92682 38789.915 36016.69146 19541.6425 24389.49182 15599.89873 16828.5814 25632.06517 30543.62174 18978.21519 32264.41573 19959.90932 50148.73494 54100.91634 32904.0294 32191.94874 48336.78194 42962.51924 39557.54142 46864.78399 77041.28201 76697.83364 78543.37424 36558.44195 37833.10674 34849.43893 29069.49453 34608.4879 34370.96305 33674.44206 33251.58414 30707.38394 34048.40355 876.7648953 3981.616023 3193.803613 860.4156808 4471.247907 3623.989247 LPC(19:0)>LPC(19:0/0:0)_and_LPC(0:0/19:0)_feature1and2 32421.69651 69570.53351 65797.07467 47710.74851 38138.31774 58944.33659 46647.90681 59176.95474 85881.14248 45362.54839 115466.8583 47583.64869 66452.20015 49330.56331 59111.6115 38890.87802 49858.45446 76775.41289 62533.78784 56783.85756 76507.48814 32359.54993 39227.81586 32840.9379 25851.77156 46738.19109 70992.74719 37553.52381 55768.88993 56719.02901 79049.68262 76991.91692 58777.38409 61628.76623 65874.44417 79379.54419 77044.60938 90933.06969 147924.8152 151804.1746 118723.0699 91705.69859 66339.97891 59983.00139 52488.06515 55512.90537 61486.51582 53437.71643 57486.20803 56037.52405 57536.42523 1855.96983 524.7167784 487.5643297 2193.0069 459.7490315 442.3334128 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 746715.3139 1346191.869 727430.0804 1348311.182 1413326.181 710204.235 993099.0418 1426125.877 933750.0149 1122284.883 1134502.129 877147.5867 860540.2627 682092.933 883763.647 864465.9274 1115781.595 1452786.711 1105181.343 1286441.876 1086292.549 621218.8083 833269.7935 478644.7945 485889.2458 773643.9353 1330524.153 480213.6974 1583387.324 812771.4506 1386997.238 1219778.239 575322.7596 883676.3493 1192079.75 1142956.488 1111854.917 1219361.892 2563145.038 1500352.284 1613233.826 1433365.005 1541359.632 1113201.629 1129272.047 1131667.38 999828.0743 937301.5964 996980.3326 1116596.384 1225323.158 506.2286997 6597.801722 6341.968169 576.5941083 7616.79559 7192.089182 LPC(18:1)>LPC(18:1/0:0)_and_LPC(0:0/18:1)_feature1and2 692716.6329 906482.3813 464707.6316 1205863.188 1342342.911 452746.038 1033978.795 959327.4902 945658.4618 592952.0678 1771958.834 797805.5136 714334.4465 697149.1976 616731.2587 402061.873 727368.8026 1091712.539 659000.0387 635143.6489 899256.9558 392711.7122 507515.3984 355808.33 385381.4944 690537.6449 865163.2539 426101.1641 789613.4114 459955.2378 1049781.129 889671.2177 646373.166 680822.1697 1132896.872 811798.2712 706436.9895 1149514.71 2390344.923 1288149.842 846021.2317 952387.7741 1043570.048 738813.8593 740269.5098 805587.6541 619272.4149 764459.8845 743098.365 734189.4941 752366.6503 703.697298 463.9572981 450.5488801 669.7106427 494.0603797 488.0766228 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_feature1and2 8666565.48 10801622.88 8520651.66 12976286.13 12933930.78 9237864.916 11925133.23 18774516.02 21152096.41 12488149.6 32747216.79 9721737.376 12454897.16 9976733.507 8149793.228 9726594.665 15322027.82 20203242.45 16414611.72 15957547.79 13842849.61 8113348.461 10110565.05 7732702.802 6575763.078 11612190.66 15388857.87 8840647.793 12974663.07 8522139.614 26096216.13 24671730.68 14676072.26 14924391.23 26390028.99 20241919.35 21655658.82 25024083.6 40477967.24 12436633.63 13542933.02 9848412.188 10631205.35 14623202.54 14338355.11 16098153.72 14001647.77 15025247.47 14714650.84 14108411.62 15256835.58 2092.037158 7834.569338 7971.40082 1564.094368 13110.87902 7730.926311 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 93218.21428 136598.8163 81444.14402 158474.6167 128190.9133 86304.37876 79794.62279 103493.0207 129618.1182 81379.10388 207880.8622 120227.0435 133513.1512 90125.34599 84338.27476 67961.71513 102123.2423 142493.6235 103489.8503 95146.10961 168538.5355 67427.28544 102849.5806 68221.22363 66571.89481 117261.4695 162952.4358 70184.32191 149329.1022 86893.55095 135578.937 141973.742 115447.9276 108820.0576 147071.5191 120213.7178 139504.9571 150366.3406 215910.9582 186964.7042 188487.2155 135739.4464 144953.7754 119216.6279 106628.1703 99610.4611 118620.4614 120748.6401 116811.3272 108882.4046 107773.8376 549.8980602 350.7880736 431.0923612 571.2837149 420.6049361 321.9979749 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 37952.45877 51314.39617 15562.44894 52935.66341 50962.89759 21636.87592 50857.6054 43840.08979 29935.17949 48076.52504 59805.54978 29810.61353 37370.79021 14085.7845 28009.6024 16584.0465 36532.50607 53673.22848 19427.89266 26507.09191 37678.69368 8643.749284 17988.08233 11642.64031 15889.37566 17367.03373 26485.14951 5488.135413 14841.25286 11684.30609 56360.96727 27902.55279 25922.03309 30889.58698 43092.29127 31357.9264 29342.48771 31215.38825 70838.96606 38043.0385 48181.81128 113067.6327 105452.0126 32776.25576 30669.23395 35675.16252 33984.93945 34993.03753 30909.97474 29161.48175 35766.06194 188.9616108 1232.0016 1332.617093 225.4940519 1261.454659 1019.332597 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 6521667.989 8284893.15 5292472.653 9141374.61 11203369.14 5016351.256 7030586.038 9450218.973 9101950.067 6467288.239 13037181.47 7533230.288 8115682.611 5615125.861 6335895.247 4344530.494 7026762.492 10237712.38 7378436.957 6991353.441 9077105.791 4596018.609 6052574.282 4099921.5 3978713.151 6566761.626 8688520.122 4726666.469 8041252.205 4663531.99 11811449.58 10516900.48 5925818.131 6251664.038 9222386.318 8694827.767 8684515.365 9162638.715 16461335.24 9618938.91 9643725.123 9064612.033 9693402.037 7822171.25 7613982.277 7854220.815 7652068.686 7942783.784 7903008.303 7437122.094 7856480.268 4277.719778 2726.9439 2216.505584 4773.387786 1595.063518 2373.070895 LPC(15:0)>LPC(15:0/0:0)_and_LPC(0:0/15:0)_feature1and2 121954.7391 116347.6155 128366.1171 125487.9116 141346.9574 128821.6567 136730.8846 138946.9818 117794.0221 116022.9085 126692.784 267073.6612 150382.8752 82242.80043 201011.2677 127537.0955 129641.8367 138699.2403 129176.5577 141034.7387 131866.8952 152067.163 139480.2523 119695.3705 143816.4813 117860.2032 121230.2385 142323.7941 176142.4176 111048.5991 123672.7756 143132.6545 131272.6489 120999.4515 118124.3542 131951.1761 122507.5034 132401.4461 137428.2806 80228.2569 66291.45289 60480.08984 56055.99937 127860.7448 134287.6688 141198.971 128052.9074 131711.2594 132621.4542 128217.3708 136022.8378 186.7650128 9370.7738 7375.411062 260.3608068 11378.31102 11821.2756 HexCer(d42:2)>HexCer(d18:1/24:1)_feature3 23613.7333 123662.0968 132421.0827 46932.97762 27481.06714 44852.21277 104614.8406 54185.34295 227488.2923 27560.79428 1446455.294 55995.13719 139848.7979 38565.29037 128197.1992 57084.06399 52725.01494 545052.8063 73496.85116 60959.31894 227718.9204 34801.17221 100696.7938 58979.58912 87404.15754 52565.90182 101993.1679 40637.57998 67140.06061 41257.49612 84283.96845 212594.2922 285503.2792 384730.2163 224706.3588 74765.29873 199533.4376 758246.6384 966988.8254 30110.89943 86520.72728 43005.98232 93014.21152 180725.1109 176887.7598 204231.2025 188513.2254 172306.3586 191887.0828 206289.5846 166461.8834 772.4555191 3275.047575 3078.801035 1731.55147 3502.852446 3503.594234 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature3 74183.00185 112861.6401 196028.2833 83972.64041 35912.33977 24498.03765 243053.6836 95996.90745 223460.7069 48219.5617 48424.67206 56192.26394 119080.3785 24508.87698 62225.94357 55570.77553 65535.27017 636084.8288 114054.1019 55580.72875 236837.7062 26256.66228 175011.3551 43618.17913 253626.0446 53880.68898 166276.0443 41014.01137 46885.82534 32687.00409 111177.7057 171704.7446 351944.9342 264830.2713 177007.579 123114.7552 501552.9699 614661.9199 928937.5445 60462.22056 67035.79756 181008.4735 151340.6967 188458.6356 200319.4392 147379.4204 157254.1707 172387.7925 185143.6962 178735.7382 187747.8467 1349.182373 530.7891315 616.8858959 624.6808491 606.9546067 512.3938377 HexCer(d40:2)>HexCer(d18:1/22:1)_feature3 36917.30672 36940.45005 44514.41965 33260.67719 35127.66049 49094.08315 40882.06127 28301.85444 39066.48544 27444.03313 22871.88308 49852.80622 83602.89409 47863.24873 43534.69771 37357.4478 58978.90367 87929.80128 36497.48076 23805.18677 38603.63719 37911.27997 57700.90337 38258.64406 56679.75758 54272.05954 71538.27407 41876.7673 32047.37048 22967.75341 40938.60713 63366.96616 53536.76259 65660.04917 56461.39381 57227.90364 70648.47984 79904.03908 101452.8471 46053.16905 66764.25072 85624.14253 77678.85685 263660.5499 264596.8399 285082.0629 261629.0636 254834.5287 265216.4631 263615.3593 275046.2901 577.7793467 632.8487001 682.150271 1812.304784 1354.713519 1427.213081 HexCer(d40:1)>HexCer(d18:1_22:0)_feature3 18863.29946 50888.89956 49285.69011 32084.95906 17769.86617 20521.70379 59639.28562 34611.92699 101707.7211 23204.44566 602670.2024 23122.45816 44423.17882 20560.56503 35007.65562 22633.83325 30887.2402 223456.3514 34132.84636 30762.54937 76669.48426 17900.09727 46695.63302 19713.17661 49771.01134 24037.05454 54089.06412 21573.90116 25088.36376 17125.64939 42493.6397 77015.51418 107954.3205 161688.2417 80097.47105 44200.70184 126712.1621 279897.5178 343551.3623 26929.12842 33624.73555 33108.9047 36458.39614 78701.78458 75922.53744 81459.83267 64463.17418 77130.81795 83602.20451 76389.24485 75378.69746 678.6402169 3142.544995 3263.525257 4106.258109 3526.862924 3318.160452 HexCer(d40:1)>HexCer(d18:1/22:0)_feature2 870.3692383 4462.728344 1707.389902 5798.834659 1062.137167 2701.708945 790.8539828 785.7311462 1580.804668 854.2138703 605.2822439 5506.258312 5110.258927 2768.993293 1532.647767 819.548939 2932.406274 3613.856243 1225.392907 653.7267988 9076.538388 5098.536805 5841.954838 4745.384326 2706.029912 6531.456605 6370.212566 2744.868038 2797.997712 3430.142878 2341.0134 3824.559285 2899.917932 924.8501416 3703.831805 1668.476795 2763.96449 1162.103084 2879.13572 2626.304249 4178.164142 2270.821953 5522.331422 4863.370931 4306.305894 3739.705165 3752.629653 5673.153839 5000.181867 3781.771679 4250.221029 215.6976579 483.6159608 440.760465 312.9642549 597.487783 517.0965295 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 6544.496903 24283.5069 9769.81226 9113.074951 8789.483963 6119.972859 8900.391182 9762.882526 25405.00622 8153.54121 1070392.338 7271.884077 9310.195261 8147.152042 6065.357287 6016.760998 7927.14413 9230.461316 9623.892284 8185.010919 12303.50975 6564.547702 8199.200809 7627.602878 8090.916568 6627.539155 7726.398592 5892.041644 9061.885475 6925.115392 8983.909415 8631.091643 9145.135678 24012.66352 14059.75528 8237.966998 9817.321466 14558.31104 17514.13036 9988.396889 9566.760865 7033.250729 6830.587146 25621.64213 26053.42025 31061.68605 26165.53154 25028.65249 19678.76813 30438.47926 28510.61481 302.7636579 286.2347136 305.7846385 398.3372001 318.5609521 350.3056233 erucamide_feature1 5082525.143 5109483.296 2025457.314 4977814.795 5807300.118 4046208.169 5651693.996 901004.3864 4949503.603 6846216.296 5584402.033 1762777.806 5889520.851 4909413.971 5387346.615 5413714.631 4635163.9 5766958.649 5135306.499 5182659.625 4535805.526 5622754.645 5543618.33 5750098.576 5240794.513 5152938.761 6216595.094 2319593.785 5178115.462 5326853.882 1231432.218 4910912.773 1350181.361 1664034.268 4937675.165 5663283.267 4686553.136 5088744.384 5067624.557 153419890.6 147441875.6 149727304.2 149448012.7 15955586.65 16858231.47 16216944.76 16559195.65 15849369.45 16586650.2 15862248.39 16662190.83 5011997.557 5723509.496 6225755.203 4707081.058 4341341.198 7740322.465 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 116963.9218 153485.1876 59633.75162 214380.3312 105214.3911 111736.4276 60237.63192 35360.39805 104032.5648 28312.00725 57280.61017 105881.805 197753.375 119363.6587 116224.1025 40342.98572 64552.51811 162320.7216 103601.7823 74720.66205 157297.495 68266.63577 148148.8176 90808.03336 83793.26755 137032.9501 121535.465 85865.68078 144869.6447 96231.64041 117565.179 166455.6541 111119.7 69980.6192 120824.0904 107132.4493 111070.5016 117546.0128 137622.6705 167589.7557 143170.3625 140653.2169 140335.0029 122798.0242 121610.781 87568.79915 118946.1908 118440.0596 109937.8445 113231.3889 118622.4358 205.0132979 287.150481 291.9156516 213.3530361 261.130005 252.174382 DG(40:4)>DG(18:0_22:4_0:0)_feature3 284160.1523 261264.727 166177.0027 339740.8792 166423.9094 160910.0801 71928.3063 90561.53697 135025.0159 56074.94616 215603.5678 214340.6385 209823.6502 196125.8227 134070.7928 88777.14724 95823.41109 156013.2132 113474.5664 107341.6533 348488.0295 167671.8449 272961.849 174816.176 144786.6264 298166.7301 249370.6683 152688.9271 320575.2305 221955.6101 151817.6677 180970.8994 237589.8409 170466.7682 188498.6897 195064.0836 234256.7147 288107.6722 280885.4415 184669.3369 201896.9776 145351.7204 144974.0126 182017.1756 191428.4418 181421.64 197011.347 174681.2217 187738.4122 183700.0732 188828.8829 602.842473 906.3018806 882.3627646 615.2712308 866.2649504 912.2432606 DG(38:6)>DG(18:2_20:4_0:0)_feature1 727468.4904 706938.613 377156.5726 886007.4558 447840.0131 499436.056 217537.8506 258208.4634 268009.0217 214105.1885 224668.7825 718328.0928 681108.9655 637513.2639 496111.5724 244549.5759 298032.546 429466.7459 303745.7399 260131.6831 792369.295 396839.8328 597044.4703 498632.7734 310853.2201 529928.6821 568300.9619 491517.4062 675239.8741 401209.27 470294.0478 565042.0624 348705.2272 380340.3301 498782.6303 373500.5435 500126.0884 371499.0985 607446.5305 817709.8807 793614.9261 640670.9484 690639.6453 467733.9928 493898.2357 479459.8496 492205.4979 498657.0152 474603.0643 455487.4785 496572.161 521.0953415 543.7814476 535.9317703 586.5810261 649.7587352 625.6873584 DG(38:5)>DG(18:1_20:4_0:0)_feature2 2525384.307 3038525.48 1700246.546 4245914.144 2079705.135 2647046.554 989569.085 1370476.42 1363622.781 1068339.071 1247901.026 2622456.661 2761039.238 2733597.695 2378855.241 1136777.154 1321476.754 2268979.044 1434608.53 1382196.356 3588710.383 1444041.382 2594051.991 2166685.686 1971760.374 2608525.582 2346356.963 2401608.633 2697796.672 1873908.923 1918520.073 2588561.985 1608144.442 1741390.96 2083522.543 1839193.221 2205965.988 1796753.281 2910321.645 3348515.863 3431626.075 3156148.873 3141680.668 2171202.263 2236561.661 2154767.408 2248740.024 2194809.671 2286538.817 2194629.064 2142289.245 2274.105122 2331.882591 2377.238916 2678.532055 2203.117921 2842.138086 DG(38:4)>DG(18:0_20:4_0:0)_feature6 2750122.728 3221647.193 3741355.774 6131594.571 2949676.411 3849606.773 2592992.343 3195559.42 4389260.829 2803847.643 4262936.646 3101271.233 4019032.726 3420183.367 3077979.765 2609486.944 3653917.343 5354510.958 3995385.372 3886313.365 6148223.077 2199798 3673305.901 2607336.911 2645036.686 3550140.931 3960870.186 2996869.904 4252763.123 2943669.525 5494784.793 5885024.329 4804772.377 4113617.025 5977839.887 4923075.923 6957560.153 5563494.586 8239097.124 4847599.438 4843202.887 3656474.95 3901300.026 4017898.345 4083004.436 3852308.145 4074786.591 4113723.088 3981145.999 4082596.75 3949789.284 1133.052671 1162.815728 1347.664722 1160.083547 1182.930147 1539.343386 DG(38:4)>DG(16:0_22:4_0:0)_feature4 843583.9216 964672.6573 466024.0382 1292823.134 619090.8609 736223.6154 252461.0347 412068.2217 547430.3655 273399.0908 535170.0009 665294.5768 634026.3172 567314.0082 536099.91 346084.9088 461765.0946 670190.9985 384611.4129 369703.3893 1225485.229 407628.4961 853992.363 658088.4674 531967.9021 940008.8542 697530.3475 736635.3864 885499.6592 610489.4354 661633.4924 755578.2971 667611.1256 646103.9348 772071.9366 761866.4261 912442.1822 877478.8662 1105795.259 634605.8891 606806.9986 682096.344 671390.6235 706985.7303 653080.793 694749.021 713158.7899 687075.3954 679093.3255 698031.0108 683149.7652 926.4461859 1563.206073 1558.564813 1038.516139 1538.780415 1733.421031 DG(38:4)>DG(16:0_22:4_0:0)_feature2 412957.5594 550366.0072 132873.7458 788152.8629 327616.4069 444531.5826 122205.5388 127096.8364 184562.3178 100121.1626 163205.8557 457295.194 477674.6377 456115.4153 219797.4791 105268.5037 153375.3738 344677.4292 172422.9719 164915.5086 759774.6729 219129.6316 387893.3577 245528.9615 181709.1145 426945.9413 330072.1076 312172.4939 463046.2641 200869.1569 308011.7533 372326.9098 209793.2081 247075.7947 279767.9847 169395.0425 218716.3907 236896.5906 518335.1091 854321.2998 1001657.629 564513.3478 705774.4285 394737.7892 295848.9958 402405.8769 423552.5697 316358.9067 285403.043 417719.878 380936.4192 944.7851152 879.7838648 909.2593873 1147.936113 1041.496665 1080.638062 DG(38:3)>DG(18:2_20:1_0:0)_M+NH3_feature2 2771864.497 3878023.111 1359857.304 4262577.302 1719367.933 2168446.844 1254458.752 1482822.268 1769902.735 976871.6816 1052305.04 2626623.876 3125107.007 2844869.071 1567509.827 1183115.337 1282114.243 2320420.023 1362112.632 1186863.018 3588078.556 1374267.446 2035208.078 1823922.501 1477811.14 2495864.716 2512521.632 1670238.141 2993031.261 1601914.795 2283799.127 2892447.281 1729172.75 1908701.515 2278553.097 1532877.515 2282131.452 2081324.879 3086738.405 3678901.296 3941920.471 3043822.413 3031895.212 2143626.083 2053981.487 2103946.314 2054436.93 2109034.817 2087719.113 2123738.609 2090577.637 1641.660323 7060.512925 7035.460423 2927.551874 9023.620796 8778.867635 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 1358551.656 1805775.766 846357.9292 2268699.923 844019.2523 1223604.783 598102.9275 692541.3731 718857.3257 475365.0609 539143.7367 2069671.843 2545324.475 1811592.27 1224968.955 475225.3777 458116.0633 1053649.285 502705.3576 508791.1204 1611287.03 682849.2355 1010422.881 1131785.62 898222.7849 1240380.332 994752.2515 1277311.841 1142973.964 577960.7733 826241.761 890226.9974 611318.3634 735370.7689 609105.5685 575360.0039 793098.9268 759740.2958 1225174.264 3891059.173 3515511.716 2455042.873 2208407.042 1074140.699 1151228.144 1108428.655 1143994.835 1155724.616 1138925.961 1102852.188 1091202.08 980.1141225 874.3031163 955.4968146 1073.968291 927.4517532 966.5331166 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 1173505.283 1209516.653 702800.7659 2761534.605 1011061.699 1316641.377 608124.0095 863179.2687 1330684.718 707799.647 881323.0734 1049630.356 1208431.305 1035555.655 907552.794 635304.6866 1342433.646 2033643.912 1251729.852 895001.1698 2503316.609 551776.6054 1263298.222 684505.2164 628265.3402 1163616.835 1044305.41 832597.9095 1527044.618 794910.1511 2231580.995 2155736.054 1097348.117 1217092.587 2502200.456 1517425.066 2415639.796 1590888.351 3681071.122 1303326.783 1273528.505 1707519.511 1684571.505 1330290.003 1336841.89 1305869.237 1365917.289 1332305.94 1342982.88 1346033.127 1309308.634 255.5558036 256.5221105 289.311429 775.0009988 335.9539194 405.6122302 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature2 169219.0057 190320.1358 134682.9168 205758.5133 99673.0367 122515.3321 89239.75863 74227.57883 62751.7349 83920.11567 53711.24283 168237.1589 169096.8417 143287.7551 125753.6243 46653.41275 44281.41778 54980.96311 47282.23173 56204.61427 100481.3838 65091.87757 89492.77926 141655.689 130497.8402 92528.13971 69757.96391 149779.0656 52571.71033 53885.43959 42975.19293 58985.31149 47792.39292 79055.02783 46066.13441 53810.05651 59886.77915 54907.96346 60358.35278 160090.8043 184628.8381 183324.887 207768.2159 90330.65492 94908.91395 94265.88378 88223.63154 88024.0897 90909.31312 96252.91293 92245.98926 1735.875114 284.757035 316.2754566 3293.413191 2443.204021 2027.097285 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 20032029.85 7789244.878 11013505.34 34127527.96 12821632.35 17725738.74 8736576.792 11726679.82 9928973.876 7600187.297 9706378.8 20174497.79 21151820.4 23492368.18 13825262.5 6277294.882 9128741.78 16563674.75 8896115.562 8707332.248 23650616.67 8734660.898 14308648.84 16300692.94 16295649.35 17592752.77 16411156.29 18884887.06 15799760.98 9358549.335 16353457.56 19218884.78 10328696.94 12760413.81 15228108.22 11024614.88 16811740.4 13414818.59 23501921.76 43140367.88 43883963.49 32158739.97 32412326.16 16403850.52 17253902.05 15908141.83 16565877.23 16645003.7 17113564.35 16178373.33 16619648.96 2210.704453 586.6046639 593.7404296 3590.544806 2402.497704 1785.881588 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature2 4051137.273 4208569.497 3427870.12 5144647.41 3297386.334 4155293.871 2515969.478 2960369.526 2530925.213 2590500.536 2337202.789 3598246.019 3998136.623 3941242.418 3521112.241 2119647.838 2662639.342 3171570.94 2460338.242 2603312.54 3899571.748 2472094.551 2769999.502 3506876.903 3377301.227 3924697.696 2845439.993 3966215.37 3725974.548 2947850.424 2805073.477 3051071.247 2658672.613 2810599.742 3178448.94 2586534.723 3404003.909 2699685.041 2939657.546 3498549.874 3863785.364 3548408.365 2800567.772 3574361.824 3288264.01 3341897.003 3377504.057 3199482.6 3240927.578 3327081.658 3699377.625 1579.49054 1869.826499 737.6328508 5647.261405 5476.462748 3962.063063 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 9425829.667 12288933.71 4726215.156 16387934.98 7353971.846 8099770.778 4390693.924 5379458.94 6905463.592 3974087.153 4544579.015 9387505.762 10977408.83 9695122.784 5652409.493 4064758.547 5840481.791 10083898.73 5776664.647 6091609.596 14348643.57 4573851.103 6957510.176 6673007.495 5095023.491 10051653.84 8256239.598 6629231.19 9864368.295 6342000.935 9841871.372 6841637.799 6158929.167 7417860.078 9322162.268 6170985.063 8691649.702 8536768.436 14012411.07 15265146.36 16377385.21 13761729.98 13432886.97 7758176.166 7990103.415 8008226.917 7476969.446 8369487.568 7994955.543 7406614.344 8029419.81 1704.207271 1229.083009 1119.848699 3412.832667 1161.96471 3084.080299 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature1 1233083.207 1230587.73 1157217.449 1439902.286 1074463.494 1168038.982 1104689.923 1300831.377 953751.9863 1316922.69 812727.0311 930832.4546 916490.9801 1138001.903 1125029.333 917620.9934 1317060.328 955861.7582 1013000.473 1056668.203 1234934.692 752164.6512 978113.5593 1039423.183 1139699.095 1047689.03 795477.7063 1155991.23 967756.4013 812546.0501 1245135.517 1181400.632 1077467.308 1077962.453 1291871.992 1162458.648 1162398.134 1014349.606 1058577.39 1038184.153 1130023.484 1379813.627 1465835.803 1110616.144 1006855.681 1005572.534 1051073.007 1023325.48 1008014.854 1099607.759 1066684.345 219.0854595 697.7884276 263.6196267 2743.815718 1996.210372 3051.152938 DG(35:4)_feature1 2997710.973 2871825.703 1916251.308 5207864.617 2578821.37 3343997.081 1576565.182 1965306.647 2873000.586 1947517.666 1476180.177 2676600.601 2898916.667 2591050.787 2479802.895 1930119.911 3255865.586 3853551.265 3056538.641 2192004.418 5024615.084 1695684.029 3099738.257 1987333.317 1730752.511 2907075.877 2534454.848 2281676.906 3515040.77 2249471.851 4352020.754 4465065.436 2516449.389 2789813.629 5052351.918 3254539.216 4724301.271 3000195.297 5778268.174 2652701.423 2693021.384 3413844.516 3433768.244 3043306.34 3007078.737 2967930.503 3070333.466 2992808.551 3048160.182 3066551.43 2971337.475 1268.538921 1313.708593 1461.395821 1999.193095 1435.167131 1677.716493 DG(34:0)>DG(16:0_18:0_0:0)_feature2 2849840.618 2677032.45 1529311.433 4390527.495 1965793.082 2393983.186 1719877.577 2111747.961 2695275.912 1764062.363 1475673.621 2286022.667 1804869.022 2087614.13 1727284.714 1107529.78 2482406.142 2841946.616 1925129.333 2462086.899 2958132.164 1164807.84 2229851.285 1857296.723 1470964.427 2573401.243 2049153.403 2063241.397 2260898.158 1361481.58 3029725.167 3021389.328 1949053.415 2048258.254 3066055.818 2347594.866 2852115.015 2413104.557 3376225.153 3531103.694 3748860.833 3691058.441 3698957.465 2232160.617 2216711.964 2098047.257 2216488.344 2295191.815 2174081.895 2225492.793 2174662.006 9671.245483 10110.34072 10337.52206 10857.72732 10741.90896 10676.61416 DG(32:1)>DG(16:0_16:1_0:0)_feature1 3095062.491 3095401.195 2464804.994 6293963.594 2525401.485 2474423.139 3227974.908 4871885.091 2260191.517 3558489.413 2163692.878 2566616.911 2080138.308 2547867.009 2499550.461 1706051.754 2978153.451 3462305.15 2383920.752 2777280.251 3290448.856 1239527.168 2149785.532 2540135.275 2339273.134 2171856.874 1597875.322 2994373.75 1579595.811 1074934.553 3373906.596 3197433.358 2195743.015 2384811.191 3437411.519 2768471.332 2932826.542 2392734.951 4357102.342 3643172.405 3780160.283 5692798.147 5751797.883 2827852.768 2891440.069 2783659.862 2918648.665 2822349.624 2948536.168 2860130.939 2781590.787 3324.206146 1668.766002 2338.427856 5145.829848 4199.435141 2424.752574 DG(32:0)>DG(16:0_16:0_0:0)_feature2 4754533.043 4543686.118 3050433.885 7206582.76 3368597.804 4150382.807 3406516.894 4862331.938 3628117.893 4082248.576 2873082.949 3655661.06 3002682.764 3632123.041 3538972.053 2055982.458 4148313.525 4375137.75 3146595.478 3491237.316 5339561.935 1857418.508 3572831.959 3424684.94 3534383.192 3941619.52 2741789.03 4463527.121 3115692.737 2077970.964 4937255.326 4697684.672 2992106.071 3260906.212 5235267.418 3999391.588 4372706.278 3622275.025 5135677.471 5039538.794 4985931.449 5749334.492 5844163.423 3795045.915 3816008.367 3599397.761 3811606.862 3680345.527 3717314.548 3838636.91 3758839.394 6053.205187 6340.719825 7796.113864 10102.34494 12329.5959 10020.79683 Coenzyme Q9_feature1 15891925.27 15280752.74 7122337.085 17114138.61 10750743.45 8609635.801 11623078.72 12409188.51 20307848.27 8297171.509 8064839.274 14044661.25 10958623.48 11493799.45 11306038.76 11714311.46 11393309.39 17952619.3 11841485.44 9208482.039 18721409.67 10973694.85 11059434.56 4718977.354 5521568.898 13813514.09 13304811.83 6505890.995 13927974.03 6657395.345 20202497.91 17377791.87 10949561.91 8745410.581 12938874.49 10281798.03 11721015.35 9740868.224 22404810.26 13893111.31 14648411.54 9629876.822 10582560.95 11771977.89 12102372.88 11611386.29 11625993.6 12316440.62 11411482.08 11897750.29 11933884.48 1210.131669 1271.142211 1274.18337 1314.001293 1271.196518 1284.805118 coenzyme(Q8)_feature1 792234.681 755552.843 306629.8198 752827.7293 579326.4466 490643.8554 761182.0776 828410.1876 1427378.038 530619.6769 382078.9144 820365.0934 522044.3514 10798.98077 693169.9545 798986.9253 839174.7548 1265982.391 775976.192 496515.7026 1136176.728 468443.886 514980.3488 205012.8733 179742.4195 597997.3333 506076.7397 243575.0982 595211.9783 199177.0207 1468886.349 1181899.583 589817.2164 423261.1855 853330.5428 70744.42051 660475.6519 602421.4145 1657638.452 915240.7686 1096761.836 639317.7499 690087.5613 690900.3636 683909.8899 632198.8113 721791.0511 710546.4707 714625.3805 690139.9048 643500.1431 205.8500836 697.3118665 745.2119914 226.1642319 728.5131498 806.2132807 cholesterol_M-H2O_feature1 696436.7901 712208.9079 1236245.284 817632.9819 843169.8214 674333.3427 801280.011 827646.3118 1041763.465 797447.9515 969790.6199 785103.4893 628723.9951 773198.1843 1093366.416 1019631.032 907675.6475 606184.0301 968552.6925 589988.5191 1174272.337 709750.5639 632066.5187 665096.8642 824908.2223 786177.4946 956520.0292 660188.2481 700643.2824 729401.2428 1067521.046 723729.8278 668404.4896 676359.98 712802.5406 684399.5963 882820.6564 723004.1927 1082062.329 718926.2419 684426.762 712614.4947 1011520.556 765004.4796 878566.9815 770814.2282 594031.2804 657331.2175 700654.1853 629663.8558 989040.2916 552.3292987 552.5580605 547.864218 597.106659 519.0599083 536.7134349 Cer(m34:2)>Cer(m18:1/16:1)_feature1 181134.9212 185441.8154 186134.4294 200717.8626 97000.5043 143393.351 74192.18637 112055.2354 131014.1793 84910.07415 431737.0219 187360.116 218069.1093 136317.7228 125204.8364 93653.13424 76362.87849 139449.8056 90360.63292 69872.56362 133948.3403 106608.2773 144254.426 173984.978 149487.8545 135565.8655 138816.6681 195981.3025 105432.2825 100087.7204 121106.4454 103998.1311 119573.5159 126052.2185 85736.13606 114009.2996 134627.578 117014.7535 121045.2037 209288.1373 190780.4988 154213.5287 150463.0081 140496.507 133790.616 140583.5014 145556.2021 153722.2393 129102.2954 136449.3697 141908.7939 277.9496576 377.4475676 434.8439741 452.6082435 375.9760713 433.7965189 Cer(d44:2)>Cer(d18:1/26:1)_feature1 69917.99864 71960.84983 56245.80581 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149196.8333 226277.0154 244144.4146 376431.8054 200586.9405 165668.5122 137735.8034 132268.5194 182414.8969 205593.0776 191566.6947 195123.3078 192522.2606 188727.9359 192632.1864 194668.9177 958.9695714 1395.940091 1384.662027 1516.819255 1755.808825 1795.630785 Car(10:1)_feature1 22256.75998 49812.31806 47821.84307 209772.4736 94399.28412 80462.29484 146326.9087 52453.58412 156287.195 26942.78949 26264.32934 146962.905 117972.3574 182467.9624 79023.87464 50222.48822 66512.49583 99198.95085 28754.14083 80929.09317 93284.87107 38858.08362 185998.6211 20447.56313 95439.37282 131371.6286 90373.87476 100450.1983 162755.2033 55502.18507 232562.0616 298691.8224 64468.58782 76829.5215 35153.4803 50728.48004 54295.91316 65222.45962 116737.8965 77750.75041 92993.71818 39846.67397 41703.60711 85377.7994 85548.71406 94619.47761 92253.52359 101317.6927 71884.23032 96563.10312 85126.28255 580.378175 457.562065 854.4799532 218.3889512 1044.823975 1070.695651 Car(10:0)_feature1 28665.83168 63044.86824 61563.65364 200813.6275 60429.78532 63750.78904 166940.8555 56608.11897 105461.7002 57281.90855 83009.71434 78586.9361 67616.50259 150187.9346 52713.97211 37886.67052 67299.61788 97916.50599 69108.19149 105295.1185 83636.5636 39684.94279 174093.5204 38354.16136 181494.5502 99759.30329 72132.57347 63660.87057 90973.53395 86800.83751 144822.0414 122855.1426 84755.32867 111394.014 62287.2307 70402.92369 102161.6203 76730.74535 155787.0489 97733.23409 92000.86453 56408.67141 54576.52284 91722.3912 87495.30947 86337.78795 89318.87053 96051.82178 86920.95111 93466.12014 85590.08486 1103.449852 194.3331615 197.2649701 1951.808428 1885.39244 2111.464032 adenosine_feature1 278572.5903 211513.3069 149431.4524 200857.8476 106497.4527 339244.0261 83356.16235 81113.91385 133255.0967 114507.9707 69824.63571 180386.032 142720.1197 76282.94153 82399.46507 67914.45653 721911.0157 178364.1516 159805.3184 198959.261 561735.0273 463685.0069 92279.81836 129207.8477 21691.33979 129923.5892 156043.4781 70824.12908 81294.63634 60082.63407 112435.4039 113815.3562 134659.788 156556.5209 296637.3374 228629.077 190883.3313 190205.415 173937.312 287331.7347 328498.4204 365492.0814 344452.5853 151389.0186 146010.6394 161423.6679 165191.4406 152405.1927 155831.3926 177284.8032 130802.6617 140.0567168 210.6940953 231.5267814 253.5198502 238.8518429 200.7468523 3-(1-pyrazolyl)-alanine_feature1 15934.73915 8492.029366 12251.99891 26556.37123 13990.83199 15984.44884 41208.64075 14916.12429 20323.20261 22033.41266 31470.83307 9397.02008 12843.98703 21172.64447 8957.464896 15642.33228 23547.4354 30426.60755 32274.40348 25675.08572 8366.27131 10744.20157 33164.15701 17400.29487 45999.70755 16308.15933 17242.09779 16446.27871 14471.1813 15178.25453 31945.66074 18466.64091 28156.44485 45050.82321 15960.75937 17770.01556 38934.3147 21418.89125 32066.32388 14252.83414 19565.44279 14657.42342 12200.09286 20069.36651 20428.64554 22028.42358 22881.42197 17914.84633 20056.40825 23397.5297 19636.03708 254.6742919 446.4705829 544.429475 322.6940874 480.4263825 1029.014165 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[istd]_M+NH3 C51 H92 D7 N O6 829.7968666 828.7896 GTInternalStandard_TG(48:1(d7))>TG(15:0/18:1(9z,d7)/15:0)_[istd]_M+NH3 8.751 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] C41 H72 D9 N2 O6 P 738.6451566 737.6379 GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(9z,d9))_[istd] 4.36 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] C39 H68 D7 O10 P 759.5858866 758.5786 GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z,d7))_[istd] 4.374 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] C38 H67 D7 N O8 P 711.5654866 710.5582 GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z,d7))_[istd] 4.949 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] C23 H39 D7 N O7 P 487.3516166 486.3443 GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/0:0)_and_PE(0:0/18:1(9z,d7))_[istd] 2.134 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] C41 H73 D7 N O8 P 753.6123066 752.605 GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z,d7))_[istd] 4.749 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] C26 H45 D7 N O7 P 529.3984766 528.3912 GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/0:0)_ and_PC(0:0/18:1(9z,d7))_[istd] 2.098 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_[istd] C36 H61 D7 O5 605.5840066 604.5767 GTInternalStandard_DG(33:1(d7))>DG(15:0/18:1(d7)/0:0)_[istd] 6.421 GTInternalStandard_cholesterol(d7)_[istd] M - H2O C27 H37 D7 376.3944866 375.3872 GTInternalStandard_cholesterol(d7)_[istd] M - H2O 4.768 GTInternalStandard_CE(18:1(9z,d7))_[istd]_M+NH3 C45 H74 D7 N O2 675.6768366 674.6696 GTInternalStandard_CE(18:1(9z,d7))_[istd]_M+NH3 9.714 Ubiquinol Q10_M+NH3_feature1 C59 H95 N O4 882.7322566 881.725 Ubiquinol Q10 7.639 TG(60:4)_M+NH3_feature2 C63 H117 N O6 984.8942966 983.887 TG(60:4)_lp_b 9.433 TG(60:4)_M+NH3_feature1 C63 H114 O6 967.8669466 966.8597 TG(60:4)_lp_a 9.627 TG(60:3)_M+NH3_feature2 C63 H116O6 969.8835866 968.8763 TG(60:3)_lp_b 9.793 TG(60:3)_M+NH3_feature1 C63 H119 N O6 986.9095366 985.9023 TG(60:3)_lp_a 9.589 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature3 C63 H105 N O6 972.7985866 971.7913 TG(60:10)_lp_c 8.195 TG(60:10)>TG(18:0_20:4_22:6)_M+NH3_feature4 C63 H105 N O6 972.7985566 971.7913 TG(60:10)_lp_d 8.315 TG(58:9)_M+NH3_feature1 C61 H103 N O6 946.7842966 945.777 TG(58:9)_lp_a 7.747 TG(58:9)_M+NH3_feature2 C61 H100 O6 929.7568166 928.7495 TG(58:9)_lp_b 7.99 TG(58:9)_M+NH3_feature3 C61 H103 N O6 946.7831866 945.7759 TG(58:9)_lp_c 8.163 TG(58:8)>TG(18:2_18:2_22:4)_M+NH3_feature4 C61 H102 O6 931.7725866 930.7653 TG(58:8)_lp_d 8.279 TG(58:8)_M+NH3_feature5 C61 H105 N O6 948.7992566 947.792 TG(58:8)_lp_e 8.588 TG(58:8)_M+NH3_feature3 C61 H105 N O6 948.7907666 947.7835 TG(58:8)_lp_c 8.165 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature2 C61 H107 N O6 950.8136866 949.8064 TG(58:7)_lp_b 8.337 TG(58:7)>TG(18:0_18:1_22:6)_feature4 C61 H104O6 933.7881066 932.7808 TG(58:7)_lp_d 8.606 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature5 C61 H107 N O6 950.8145766 949.8073 TG(58:7)_lp_e 8.963 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature3 C61 H107 N O6 950.8068766 949.7996 TG(58:7)_lp_c 8.505 TG(58:7)>TG(18:0_18:1_22:6)_M+NH3_feature1 C61 H107 N O6 950.8164266 949.8092 TG(58:7)_lp_a 8.197 TG(58:6)>TG(18:0_18:0_22:6)_M+NH3_feature7 C61 H109 N O6 952.8311666 951.8239 TG(58:6)_lp_g 9.375 TG(58:6)_M+NH3_feature3 C61 H109 N O6 952.8314166 951.8241 TG(58:6)_lp_c 8.53 TG(58:6)_feature4 C61 H106 O6 935.8046866 934.7974 TG(58:6)_lp_d 9.082 TG(58:6)_M+NH3_feature2 C61 H109 N O6 952.8283366 951.8211 TG(58:6)_lp_b 8.668 TG(58:6)_M+NH3_feature5 C61 H109 N O6 952.8311166 951.8238 TG(58:6)_lp_e 8.968 TG(58:5)_M+NH3_feature3 C61 H111 N O6 954.8460866 953.8388 TG(58:5)_lp_c 9 TG(58:5)_M+NH3_feature1 C61 H111 N O6 954.8480366 953.8408 TG(58:5)_lp_a 8.697 TG(58:5)_feature5 C61 H108 O6 937.8197866 936.8125 TG(58:5)_lp_e 9.373 TG(58:4)_M+NH3_feature6 C61 H113 N O6 956.8614766 955.8542 TG(58:4)_lp_f 9.553 TG(58:4)_M+NH3_feature7 C61 H113 N O6 956.8611166 955.8538 TG(58:4)_lp_g 9.611 TG(58:4)_M+NH3_feature1 C61 H113 N O6 956.8537166 955.8464 TG(58:4)_lp_a 9.11 TG(58:4)_M+NH3_feature5 C61 H113 N O6 956.8614466 955.8542 TG(58:4)_lp_e 9.455 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_M+NH3_feature1 C61 H115 N O6 958.8776066 957.8703 TG(58:3)_lp_a 9.431 TG(58:3)>TG(18:1_20:1_20:1)_and_TG(18:1_18:1_22:1)_feature2 C61 H112 O6 941.8511066 940.8438 TG(58:3)_lp_b 9.631 TG(58:2)_M+NH3_feature2 C61 H117 N O6 943.8684266 942.8612 TG(58:2)_lp_b 9.774 TG(58:11)_M+NH3_feature2 C61 H99 N O6 942.7528066 941.7455 TG(58:11)_lp_b 7.803 TG(58:11)_M+NH3_feature1 C61 H99 N O6 942.7534566 941.7462 TG(58:11)_lp_a 7.625 TG(58:10)_feature1 C61 H108 O6 927.7416466 926.7344 TG(58:10)_lp_a 7.855 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 C61 H119 N O6 962.9107166 961.9034 TG(58:1)_lp_a 9.966 TG(57:4)_M+NH3_feature1 C60 H111 N O6 942.8469266 941.8397 TG(57:4)_lp_a 9.029 TG(57:4)_M+NH3_feature2 C60 H111 N O6 942.8471666 941.8399 TG(57:4)_lp_b 9.548 TG(57:3)_M+NH3_feature1 C60 H113 N O6 944.8619666 943.8547 TG(57:3)_lp_a 9.407 TG(57:2)_M+NH3_feature1 C60 H115 N O6 946.8776366 945.8704 TG(57:2) 9.711 TG(57:1)>TG(16:0_18:1_23:0)_and_TG(18:0_18:1_21:0)_M+NH3_feature1 C60 H117 N O6 948.8950566 947.8878 TG(57:1) 9.873 TG(56:9)_M+NH3_feature3 C59 H99 N O6 918.7527166 917.7454 TG(56:9)_lp_c 7.918 TG(56:9)_feature2 C59 H96 O6 901.7263266 900.7191 TG(56:9)_lp_b 7.749 TG(56:8)>TG(18:2_18:2_20:4)_feature1 C59 H98 O6 903.7422866 902.735 TG(18:2_18:2_20:4)_lp_a 7.986 TG(56:8)_M+NH3_feature2 C59 H101 N O6 920.7687566 919.7615 TG(18:2_18:2_20:4)_lp_b 8.182 TG(56:7)>TG(16:0_18:1_22:6)_M+NH3_feature7 C59 H103 N O6 922.7844666 921.7772 TG(16:0_18:1_22:6)_lp_g 8.536 TG(56:7)_M+NH3_feature1 C59 H103 N O6 922.7848466 921.7776 TG(56:7)_lp_a 7.861 TG(56:7)_M+NH3_feature5 C59 H103 N O6 922.7844366 921.7772 TG(56:7)_lp_e 8.314 TG(56:7)_M+NH3_feature4 C59 H103 N O6 922.7815766 921.7743 TG(56:7)_lp_d 8.206 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_feature1 C59 H105 N O6 924.7982366 923.791 TG(56:6)_lp_a 8.129 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 C59 H105 N O6 924.7967566 923.7895 TG(56:6)_lp_b 8.512 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 C59 H105 N O6 924.8003066 923.793 TG(56:6)_lp_c 8.652 TG(56:6)>TG(18:0_16:0_22:6)_M+NH3_feature5 C59 H105 N O6 924.8003166 923.793 TG(56:6)_lp_e 8.994 TG(56:5)>TG(16:0_18:1_22:4)_feature3 C59 H104 O6 909.7886366 908.7814 TG(16:0_18:1_22:4)_lp_c 8.991 TG(56:5)>TG(16:0_18:1_22:4)_feature4 C59 H104 O6 909.7884866 908.7812 TG(16:0_18:1_22:4)_lp_d 9.121 TG(56:5)>TG(16:0_18:1_22:4)_M+NH3_feature2 C59 H107 N O6 926.8073166 925.8 TG(16:0_18:1_22:4)_lp_b 8.707 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature5 C59 H109 N O6 928.8306166 927.8233 TG(56:4)_lp_e 9.321 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature4 C59 H109 N O6 928.8308066 927.8235 TG(56:4)_lp_d 9.215 TG(56:4)>TG(18:1_18:2_20:1)_and_TG(18:1_18:1_20:2)_M+NH3_feature1 C59 H109 N O6 928.8305366 927.8233 TG(56:4)_lp_a 8.777 TG(56:4)>TG(18:0_18:0_20:4)_M+NH3_feature5 C59 H109 N O6 928.8308766 927.8236 TG(56:4)_lp_f 9.373 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_feature2 C59 H111 N O6 930.8461666 929.8389 TG(56:3)_lp_b 9.282 TG(56:2)_feature1 C59 H110O6 915.8366766 914.8294 TG(56:2)_lp_a 9.62 TG(56:10)>TG(18:2_18:3_20:5)_M+NH3_feature1 C59 H97 N O6 916.7372266 915.73 TG(18:2_18:3_20:5) 7.524 TG(56:1)_feature1 C59 H112 O6 917.8524066 916.8451 TG(56:1)_lp_a 9.791 TG(55:7)_M+NH3_feature1 C58 H101 N O6 908.7673766 907.7601 TG(55:7)_lp_a 8.176 TG(55:7)_M+NH3_feature2 C58 H101 N O6 908.7673866 907.7601 TG(55:7)_lp_b 8.312 TG(55:5)>TG(18:2_18:2_19:1)_and_TG(18:1_18:2_19:2)_M+NH3_feature2 C58 H105 N O6 912.7999066 911.7926 TG(55:5)_lp_b 8.655 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)_feature2 C58 H104 O6 897.7889966 896.7817 TG(55:4)_lp_b 9.036 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_feature1 C58 H107 N O6 914.8155366 913.8083 TG(55:4)_lp_a 8.701 TG(55:3)>TG(18:1_18:1_19:1)_and_TG(18:1_18:2_19:0)_M+NH3_feature3 C58 H109 N O6 916.8313866 915.8241 TG(55:3)_lp_c 9.4 TG(55:3)_M+NH3_feature2 C58 H109 N O6 916.8314166 915.8241 TG(55:3)_lp_b 9.073 TG(55:3)_M+NH3_feature1 C58 H109 N O6 916.8305866 915.8233 TG(55:3)_lp_a 8.959 TG(55:2)_feature1 C58 H108 O6 901.8200066 900.8127 TG(55:2)_lp_a 9.567 TG(55:1)>TG(18:0_18:1_19:0)_and_TG(16:0_18:1_21:0)_M+NH3_feature1 C58 H113 N O6 920.8631566 919.8559 TG(55:1)_lp_a 9.718 TG(54:8)_M+NH3_feature1 C57 H97 N O6 892.7370866 891.7298 TG(54:8)_lp_a 7.637 TG(54:8)_M+NH3_feature2 C57 H97 N O6 892.7371166 891.7298 TG(54:8)_lp_b 7.825 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature1 C57 H99 N O6 894.7551866 893.7479 TG(18:2_18:2_18:3)_lp_a 7.697 TG(54:7)>TG(18:2_18:2_18:3)_feature3 C57 H96O6 877.7268066 876.7195 TG(18:2_18:2_18:3)_lp_c 7.863 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature2 C57 H99 N O6 894.7439866 893.7367 TG(18:2_18:2_18:3)_lp_b 7.794 TG(54:7)>TG(18:2_18:2_18:3)_M+NH3_feature3 C57 H99 N O6 894.7534266 893.7462 TG(18:2_18:2_18:3)_lp_d 7.943 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature4 C57 H101 N O6 896.7689166 895.7616 TG(54:6)_lp_d 8.127 TG(54:6)>TG(18:2/18:2/18:2)_and_TG(18:1_18:2_18:3)_M+NH3_feature1 C57 H101 N O6 896.7648266 895.7576 TG(54:6)_lp_a 7.934 TG(54:6)>TG(16:0_18:2_20:4)_feature5 C57 H98 O6 879.7423966 878.7351 TG(16:0_18:2_20:4)_lp_e 8.328 TG(54:6)>TG(16:0_16:0_22:6)_feature6 C57 H98 O6 879.7424066 878.7351 TG(54:6)_lp_f 8.554 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)_feature5 C57 H100 O6 881.7576666 880.7504 TG(54:5)_lp_e 8.686 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_feature1 C57 H103 N O6 898.7836366 897.7764 TG(54:5)_lp_a 8.055 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature3 C57 H103 N O6 898.7742366 897.767 TG(18:1_18:2_18:2)_lp_c 8.328 TG(54:5)>TG(18:1_18:2_18:2)_M+NH3_feature4 C57 H103 N O6 898.7842166 897.7769 TG(18:1_18:2_18:2)_lp_d 8.451 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature3 C57 H105 N O6 900.7991366 899.7919 TG(54:4)_lp_c 8.371 TG(54:4)>TG(18:1_18:1_18:2)_and_TG(18:0_18:2_18:2)_M+NH3_feature5 C57 H105 N O6 900.8002366 899.793 TG(18:1_18:1_18:2)_lp_e 8.934 TG(54:4)>TG(18:1_18:1_18:2)_M+NH3_feature4 C57 H105 N O6 900.7998266 899.7926 TG(18:1_18:1_18:2)_lp_d 8.779 TG(54:4)_M+NH3_feature6 C57 H105 N O6 900.8012966 899.794 TG(54:4)_lp_f 9.136 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 C57 H107 N O6 902.8164666 901.8092 TG(54:3)_lp_i 9.979 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)_feature9 C57 H104 O6 885.7897966 884.7825 TG(54:3)_lp_h 9.285 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_feature4 C57 H107 N O6 902.8153766 901.8081 TG(54:3)_lp_d 8.724 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)_feature7 C57 H104 O6 885.7898266 884.7826 TG(54:3)_lp_g 9.15 TG(54:2)>TG(16:0_18:1_20:1)_and_TG(18:0_18:1_18:1)_M+NH3_feature2 C57 H109 N O6 922.8400166 921.8327 TG(54:2)_lp_b 8.936 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+NH6_feature1 C57 H111 N O6 906.8475266 905.8403 TG(54:1)_lp_a 9.236 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+NH10_feature3 C57 H111 N O6 906.8477766 905.8405 TG(54:1)_lp_c 9.647 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature2 C56 H99 N O6 882.7527066 881.7454 TG(53:6)_lp_c 8.129 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature1 C56 H99 N O6 882.7530066 881.7457 TG(53:6)_lp_a 7.83 TG(53:6)>TG(17:2_18:2_18:2)_and_TG(17:1_18:2_18:3)_M+NH3_feature3 C56 H99 N O6 882.7527366 881.7455 TG(53:6)_lp_b 7.971 TG(53:5)>TG(17:1_18:2_18:2)_feature1 C56 H98 O6 867.7418266 866.7346 TG(17:1_18:2_18:2)_lp_a 8.26 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_feature2 C56 H100 O6 869.7579666 868.7507 TG(53:4)_lp_b 8.607 TG(53:4)>TG(17:0_18:2_18:2)_and_TG(17:1_18:1_18:2)_M+NH3_feature3 C56 H103 N O6 869.7581066 868.7508 TG(53:4)_lp_c 8.691 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 C56 H105 N O6 888.8008666 887.7936 TG(53:3)_lp_a 8.538 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)_feature3 C56 H102 O6 871.7740766 870.7668 TG(53:3)_lp_c 9.061 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 C56 H105 N O6 888.7914666 887.7842 TG(53:3)_lp_b 8.679 TG(53:2)_M+NH3_feature4 C56 H107 N O6 873.7895566 872.7823 TG(53:2)_lp_d 9.393 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_feature3 C56 H106 O6 875.8053866 874.7981 TG(53:1)_lp_c 9.572 TG(53:1)>TG(16:0_18:1_19:0)_and_TG(17:0_18:0_18:1)_M+NH3_feature1 C56 H109 N O6 892.8233866 891.8161 TG(53:1)_lp_a 9.078 TG(52:7)_M+NH3_feature2 C55 H95 N O6 866.7213566 865.7141 TG(52:7)_lp_b 7.698 TG(52:6)>TG(16:1_18:2_18:3)_and_TG(16:2_18:2_18:2)_feature3 C55 H94 O6 851.7113266 850.7041 TG(52:6)_lp_c 7.816 TG(52:6)_feature4 C55 H94 O6 851.7113266 850.7041 TG(52:6)_lp_d 7.939 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature3 C55 H99 N O6 853.7268766 852.7196 TG(16:1_18:2_18:2)_lp_c 8.074 TG(52:5)>TG(16:1_18:2_18:2)_M+NH3_feature2 C55 H99 N O6 870.7442666 869.737 TG(16:1_18:2_18:2)_lp_b 7.878 TG(52:5)>TG(16:0_18:2_18:3)_M+NH3_feature5 C55 H99 N O6 848.7718466 847.7646 TG(16:0_18:2_18:3)_lp_e 8.192 TG(52:4)>TG(16:1_18:1_18:2)_M+NH3_feature5 C55 H101 N O6 872.7696166 871.7623 TG(16:1_18:1_18:2)_lp_e 8.501 TG(52:4)>TG(16:1_18:1_18:2)_feature4 C55 H98 O6 855.7430766 854.7358 TG(16:1_18:1_18:2)_lp_d 8.385 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)_feature6 C55 H98 O6 855.7429966 854.7357 TG(52:4)_lp_f 8.709 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature2 C55 H103 N O6 874.7869766 873.7797 TG(52:3)_lp_b 8.327 TG(52:3)>TG(16:0_18:1_18:2)_M+NH3_feature1 C55 H103 N O6 874.7838866 873.7766 TG(52:3)_lp_a 7.689 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_feature3 C55 H102 O6 859.7745866 858.7673 TG(52:1)_lp_c 9.19 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature5 C55 H105 N O6 876.7992566 875.792 TG(52:1)_lp_e 9.415 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_feature4 C55 H102 O6 859.7746266 858.7674 TG(52:1)_lp_d 9.319 TG(52:2)>TG(16:0_18:1_18:1)_and_TG(16:0_18:0_18:2)_M+NH3_feature6 C55 H105 N O6 876.8013466 875.7941 TG(52:1)_lp_f 9.812 TG(52:1)_M+NH3_feature1 C55 H107 N O6 878.8183866 877.8111 TG(52:1)_lp_a 8.782 TG(51:5)>TG(15:0_18:2_18:3)_and_TG(51:5)>TG(15:1_18:2_18:2)_M+NH3_feature2 C54 H97 N O6 856.7370866 855.7298 TG(51:5)_lp_b 7.958 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 C54 H96 O6 841.7268866 840.7196 TG(51:4) 8.263 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_feature2 C54 H101 N O6 838.7851466 837.7779 TG(51:3)_lp_b 8.382 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)_feature3 C54 H98O6 843.7425666 842.7353 TG(51:3)_lp_c 8.621 TG(51:2)_M+NH3_feature3 C54 H103 N O6 862.7851666 861.7779 TG(51:2)_lp_c 9.081 TG(51:1)_M+NH3_feature2 C54 H105 N O6 864.8009766 863.7937 TG(51:1)_lp_b 9.393 TG(50:8)>TG(10:0_18:2_22:6)_and_TG(10:0_20:4_20:4)_M+NH3_feature1 C53 H89 N O6 836.6741866 835.6669 TG(50:8) 7.203 TG(50:7)>TG(10:0_18:2_22:5)_M+NH3_feature1 C53 H91 N O6 838.6903166 837.683 TG(10:0_18:2_22:5) 7.478 LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature3 C53 H93 N O6 840.7063366 839.6991 TG(12:0_16:0_22:6)_lp_c 7.777 TG(50:6)_M+NH3_feature2 C53 H93 N O6 840.7063366 839.6991 TG(50:6)_lp_b 7.604 TG(50:6)_M+NH3_feature1 C53 H93 N O6 840.7045566 839.6973 TG(50:6)_lp_a 7.495 TG(50:5)_feature2 C53 H92 O6 825.6953966 824.6881 TG(50:5)_lp_b 7.808 TG(50:4)>TG(16:1_16:1_18:2)_and_TG(16:1_16:1_18:2)_M+NH3_feature1 C53 H97 N O6 844.7358466 843.7286 TG(50:4)_lp_a 7.728 TG(50:4)>TG(16:1_16:1_18:2)_M+NH3_feature2 C53 H97 N O6 844.7379766 843.7307 TG(16:1_16:1_18:2)_lp_b 8.068 TG(50:3)_M+NH3_feature2 C53 H99 N O6 846.7533766 845.7461 TG(50:3)_lp_b 8.004 TG(50:3)_M+NH3_feature3 C53 H99 N O6 846.7533966 845.7461 TG(50:3)_lp_c 8.395 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_M+NH3_feature2 C53 H98 O6 831.7429466 830.7357 TG(50:2)_lp_b 8.753 TG(50:2)>TG(16:0_16:1_18:1)_and_TG(14:0_18:1_18:1)_feature3 C53 H98 O6 831.7430566 830.7358 TG(50:2)_lp_c 8.889 TG(50:1)>TG(16:0_16:0_18:1)_feature4 C53 H100 O6 833.7586266 832.7514 TG(50:1)_lp_d 9.233 TG(50:1)_M+NH3_feature2 C53 H103 N O6 850.7747066 849.7674 TG(50:1)_lp_b 8.434 TG(49:4)_M+NH3_feature1 C52 H95 N O6 830.7216166 829.7143 TG(49:4) 7.904 TG(49:3)_M+NH3_feature2 C52 H97 N O6 832.7373366 831.7301 TG(49:3)_lp_b 8.23 TG(49:2)_M+NH3_feature3 C52 H99 N O6 834.7532166 833.7459 TG(49:2)_lp_c 8.636 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)_feature1 C52 H98 O6 819.7427566 818.7355 TG(49:1) 9.03 TG(48:6)>TG(10:0_16:0_22:6)_M+NH3_feature2 C51 H89 N O6 812.6747766 811.6675 TG(10:0_16:0_22:6)_lp_b 7.474 TG(48:5)_M+NH3_feature1 C51 H91 N O6 814.6902066 813.6829 TG(48:5)_lp_a 7.489 TG(48:4)>TG(12:0_18:2_18:2)_and_TG(14:1_16:1_18:2)_M+NH3_feature3 C51 H93 N O6 816.7064866 815.6992 TG(48:4)_lp_c 7.893 TG(48:4)>TG(12:0_18:2_18:2)_and_TG(14:1_16:1_18:2)_M+NH3_feature2 C51 H93 N O6 799.6797966 798.6725 TG(48:4)_lp_b 7.726 TG(48:4)>TG(12:0_18:2_18:2)_M+NH3_feature1 C51 H93 N O6 816.7063866 815.6991 TG(12:0_18:2_18:2)_lp_a 7.424 TG(48:3)_M+NH3_feature1 C51 H95 N O6 818.7210666 817.7138 TG(48:3)_lp_a 7.675 TG(48:3)_M+NH3_feature2 C51 H95 N O6 818.7218866 817.7146 TG(48:3)_lp_b 7.802 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_feature3 C51 H94 O6 803.7113366 802.7041 TG(48:2)_lp_c 8.414 TG(48:2)>TG(14:0_16:0_18:2)_and_TG(14:0_16:1_18:1)_M+NH3_feature2 C51 H97 N O6 820.7364466 819.7292 TG(48:2)_lp_b 8.026 TG(48:1)>TG(16:0_16:0_16:1)_and_TG(14:0_16:0_18:1)_feature3 C51 H96 O6 805.7268266 804.7196 TG(48:1)_lp_c 8.77 TG(47:3)_feature2 C50 H90 O6 804.7056866 803.6984 TG(47:3)_lp_b 7.865 TG(46:6)>TG(8:0_18:2_20:4)_M+NH3_feature2 C49 H85 N O6 784.6434566 783.6362 TG(8:0_18:2_20:4)_lp_b 7.032 TG(46:6)>TG(8:0_16:0_22:6)_M+NH3_feature1 C49 H85 N O6 784.6434066 783.6361 TG(8:0_16:0_22:6)_lp_a 7.195 TG(46:5)>TG(10:0_18:2_18:3)_M+NH3_feature1 C49 H87 N O6 786.6591666 785.6519 TG(10:0_18:2_18:3)_lp_a 7.221 TG(46:4)>TG(10:0_18:2_18:2)_M+NH3_feature1 C49 H89 N O6 788.6750966 787.6678 TG(10:0_18:2_18:2) 7.503 TG(46:3)>TG(10:0_18:1_18:2)_and_TG(12:0_16:1_18:2)_M+NH3_feature1 C49 H91 N O6 790.6906566 789.6834 TG(46:3) 7.385 TG(46:2)_feature2 C49 H90 O6 775.6799266 774.6727 TG(46:2)_lp_b 8.028 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 C49 H95 N O6 794.7208466 793.7136 TG(46:1)_lp_a 7.976 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)_feature2 C49 H92 O6 777.6952266 776.688 TG(46:1)_lp_b 8.363 TG(45:3)>TG(10:0_17:1_18:2)_and_TG(9:0_18:1_18:2)_M+NH3_feature1 C48 H89 N O6 776.6743866 775.6671 TG(45:3) 7.531 TG(45:2)_M+NH3_feature1 C48 H91 N O6 778.6903166 777.683 TG(45:2) 7.86 TG(44:4)>TG(8:0_18:2_18:2)_M+NH3_feature1 C47 H85 N O6 760.6430766 759.6358 TG(8:0_18:2_18:2) 7.149 TG(44:2)>TG(10:0_16:1_18:1)_feature2 C47 H86 O6 747.6487666 746.6415 TG(10:0_16:1_18:1)_lp_b 7.695 TG(44:2)_M+NH3_feature1 C47 H89 N O6 764.6752966 763.668 TG(44:2)_lp_a 7.402 TG(44:1)>TG(10:0_16:0_18:1)_feature3 C47 H88 O6 749.6639966 748.6567 TG(10:0_16:0_18:1)_lp_c 7.996 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature2 C47 H91 N O6 766.6904066 765.6831 TG(10:0_16:0_18:1)_lp_b 7.756 TG(44:1)>TG(10:0_16:0_18:1)_M+NH3_feature1 C47 H91 N O6 766.6900966 765.6828 TG(10:0_16:0_18:1)_lp_a 7.641 TG(43:2)_M+NH3_feature1 C46 H87 N O6 750.6587566 749.6515 TG(10:0_15:0_18:2) 7.535 TG(42:6)>TG(4:0_16:0_22:6)_feature1 C45 H74 O6 711.5546466 710.5474 TG(4:0_16:0_22:6) 6.724 TG(42:5)_M+NH3_feature2 C45 H79 N O6 730.5972566 729.59 TG(42:5)_lp_b 6.836 TG(42:4)_M+NH3_feature2 C45 H81 N O6 732.6120766 731.6048 TG(42:4)_lp_b 6.914 TG(42:3)_M+NH3_feature1 C45 H83 N O6 734.6277266 733.6205 TG(42:3)_lp_a 6.916 TG(42:2)_M+NH3_feature2 C45 H85 N O6 736.6440866 735.6368 TG(42:2)_lp_b 7.416 TG(42:1)_M+NH3_feature1 C45 H87 N O6 738.6593766 737.6521 TG(42:1)_lp_a 7.403 TG(42:1)_M+NH3_feature2 C45 H87 N O6 738.6593166 737.652 TG(42:1)_lp_b 7.673 TG(42:0)>TG(10:0_16:0_16:0)_and_TG(12:0_14:0_16:0)_M+NH3_feature1 C45 H89 N O6 740.6745566 739.6673 TG(42:0) 8.001 TG(41:3)>TG(5:0_18:1_18:2)_M+NH3_feature1 C44 H81 N O6 720.6124266 719.6052 TG(5:0_18:1_18:2) 7.014 TG(41:2)_M+NH3_feature1 C44 H83 N O6 722.6279466 721.6207 TG(41:2) 7.289 TG(40:5)>TG(4:0_18:2_18:3)_M+NH3_feature1 C43 H75 N O6 702.5652366 701.558 TG(4:0_18:2_18:3) 6.259 TG(40:4)>TG(4:0_18:2_18:2)_feature1 C43 H74O6 687.5547866 686.5475 TG(4:0_18:2_18:2)_lp_a 6.669 TG(40:3)>TG(4:0_18:1_18:2)_M+NH3_feature2 C43 H79 N O6 689.5702366 688.563 TG(4:0_18:1_18:2)_lp_b 6.91 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature1 C43 H81 N O6 708.6125866 707.6053 TG(40:2)_lp_a 6.918 TG(40:2)>TG(4:0_18:1_18:1)_feature2 C43 H78 O6 691.5861066 690.5788 TG(40:2)_lp_b 7.156 TG(40:2)>TG(4:0_18:1_18:1)_M+NH3_feature2 C43 H81 N O6 708.6127266 707.6055 TG(40:2)_lp_c 7.219 TG(40:1)_M+NH3_feature2 C43 H83 N O6 710.6280966 709.6208 TG(40:1)_lp_b 7.404 TG(40:1)_M+NH3_feature1 C43 H83 N O6 710.6278566 709.6206 TG(40:1)_lp_a 7.156 TG(40:1)_feature3 C43 H80 O6 693.6019966 692.5947 TG(40:1)_lp_c 7.487 TG(40:0)_M+NH3_feature2 C43 H85 N O6 712.6438566 711.6366 TG(40:0)_lp_b 7.776 TG(40:0)_M+NH3_feature1 C43 H85 N O6 712.6436366 711.6364 TG(40:0)_lp_a 7.668 TG(39:2)_M+NH3_feature1 C42 H79 N O6 694.5968966 693.5896 TG(39:2) 7.014 TG(39:1)_M+NH3_feature2 C42 H81 N O6 696.6131066 695.6058 TG(39:1)_lp_b 7.281 TG(39:1)_M+NH3_feature1 C42 H81 N O6 696.6130966 695.6058 TG(39:1)_lp_a 7.021 TG(38:4)>TG(2:0_18:2_18:2)_feature1 C41 H70 O6 659.5233166 658.516 TG(2:0_18:2_18:2) 6.124 TG(38:3)>TG(4:0_16:1_18:2)_feature1 C41 H72 O6 661.5389366 660.5317 TG(4:0_16:1_18:2)_lp_a 6.673 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_feature2 C41 H74 O6 663.5550966 662.5478 TG(2:0_18:1_18:2)_lp_b 6.909 TG(38:2)>TG(4:0_16:1_18:1)_and_TG(4:0_16:0_18:2)_M+NH3_feature1 C41 H77 N O6 680.5817566 679.5745 TG(38:2)_lp_a 6.637 TG(38:1)>TG(4:0_16:0_18:1)_feature3 C41 H76 O6 682.5972166 681.5899 TG(4:0_16:0_18:1)_lp_c 6.866 TG(38:1)>TG(4:0_16:0_18:1)_feature2 C41 H76 O6 682.5973166 681.59 TG(4:0_16:0_18:1)_lp_b 7.158 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 C41 H81 N O6 684.6126366 683.6054 TG(38:0)_lp_c 7.495 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_feature2 C41 H81 N O6 684.6126366 683.6054 TG(38:0)_lp_b 7.416 TG(36:3)>TG(2:0_16:1_18:2)_M+NH3_feature1 C39 H71 N O6 650.5342666 649.527 TG(2:0_16:1_18:2) 5.986 TG(36:2)>TG(2:0_16:0_18:2)_feature3 C39 H70O6 635.5238066 634.5165 TG(36:2)_lp_c 6.645 TG(36:2)_M+NH3_feature2 C39 H73 N O6 652.5504366 651.5432 TG(36:2)_lp_b 6.566 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature1 C39 H75 N O6 654.5652966 653.558 TG(36:1)_lp_a 6.551 TG(36:1)>TG(4:0_16:0_16:1)_and_TG(2:0_16:0_18:1)_M+NH3_feature2 C39 H72 O6 637.5391666 636.5319 TG(36:1)_lp_b 6.897 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature4 C39 H77 N O6 656.5813466 655.5741 TG(4:0_16:0_16:0)_lp_d 7.166 TG(36:0)>TG(4:0_16:0_16:0)_M+NH3_feature1 C39 H77 N O6 656.5813266 655.5741 TG(4:0_16:0_16:0)_lp_a 6.863 TG(36:0)>TG(10:0_12:0_14:0)_and_TG(10:0_10:0_16:0)_M+NH3_feature2 C39 H77 N O6 656.5811366 655.5739 TG(36:0)_lp_b 7.035 TG(34:0)>TG(4:0_14:0_16:0)_M+NH3_feature3 C37 H73 N O6 628.5499566 627.5427 TG(4:0_14:0_16:0)_lp_c 6.886 sn-glycero-3-phosphocholine_feature1 C8 H20 N O6 P 258.1093466 257.1021 sn-Glycero-3-phosphocholine 0.79 SM(d44:2)_feature1 C49 H97 N2 O6 P 841.7137466 840.7065 SM(d44:2)_lp_a 6.994 SM(d44:1)_feature1 C49 H99 N2 O6 P 843.7300666 842.7228 SM(d44:1) 7.36 SM(d43:2)_feature2 C48 H95 N2 O6 P 827.6982266 826.691 SM(d43:2)_lp_b 6.88 SM(d43:1)_feature1and2 C48 H97 N2 O6 P 829.7141266 828.7069 SM(d43:1)_lp_ab 7.198 SM(d43:1)_feature2 C48 H97 N2 O6 P 829.7136366 828.7064 SM(d43:1)_lp_b 7.162 SM(d42:3)_feature1 C47 H91 N2 O6 P 811.6661166 810.6588 SM(d42:3)_lp_a 6.195 SM(d42:3)_feature2 C47 H91 N2 O6 P 811.6627166 810.6554 SM(d42:3)_lp_b 7.181 SM(d42:2)_feature1 C47 H93 N2 O6 P 813.6830366 812.6758 SM(d42:2)_lp_a 6.685 SM(d42:1)_feature2 C47 H95 N2 O6 P 815.6992166 814.6919 SM(d42:1)_lp_b 7.021 SM(d42:0)_feature1 C47 H97 N2 O6 P 817.7050966 816.6978 SM(d42:0)_lp_a 7.02 SM(d42:0)_feature2 C47 H97 N2 O6 P 817.7090166 816.7017 SM(d42:0)_lp_b 7.022 SM(d41:2)_feature2 C46 H91 N2 O6 P 799.6673066 798.66 SM(d41:2)_lp_b 6.633 SM(d41:2)_feature1 C46 H91 N2 O6 P 799.6672666 798.66 SM(d41:2)_lp_a 6.466 SM(d41:1)_feature1 C46 H93 N2 O6 P 801.6828366 800.6756 SM(d41:1) 6.885 SM(d41:0)_feature1 C46 H95 N2 O6 P 803.6882966 802.681 SM(d41:0) 7.023 SM(d40:2)_feature1 C45 H89 N2 O6 P 785.6518266 784.6446 SM(d40:2)_lp_a 6.071 SM(d40:2)_feature2 C45 H89 N2 O6 P 785.6518866 784.6446 SM(d40:2)_lp_b 6.317 SM(d40:1)_feature1 C45 H91 N2 O6 P 787.6675466 786.6603 SM(d40:1)_lp_a 6.724 SM(d40:1)_feature2 C45 H91 N2 O6 P 787.6627366 786.6555 SM(d40:1)_lp_b 7.048 SM(d39:1)_feature2 C44 H89 N2 O6 P 773.6522066 772.6449 SM(d39:1)_lp_b 6.52 SM(d38:4)_feature2 C43 H81 N2 O6 P 753.5864266 752.5792 SM(d38:4)_lp_b 5.131 SM(d38:2)_feature1 C43 H85 N2 O6 P 757.6204366 756.6132 SM(d38:2)_lp_a 5.144 SM(d38:2)_feature2 C43 H85 N2 O6 P 757.6205066 756.6132 SM(d38:2)_lp_b 5.327 SM(d38:1)_feature2 C43 H87 N2 O6 P 759.6365366 758.6293 SM(d38:1)_lp_b 6.13 SM(d36:2)_feature1 C41 H81 N2 O6 P 729.5885666 728.5813 SM(d36:2) 4.414 SM(d36:1)_feature1 C41 H83 N2 O6 P 731.6057166 730.5984 SM(d36:1) 5.14 SM(d36:0)_feature1 C41 H85 N2 O6 P 733.6204666 732.6132 SM(d36:0) 5.515 SM(d35:1)_feature1 C40 H81 N2 O6 P 717.5888466 716.5816 SM(d35:1) 4.69 SM(d34:1-OH)_feature1 C39 H79 N2 O7 P 719.5680566 718.5608 SM(d34:1-OH) 4.008 SM(d34:2)_feature1 C39 H77 N2 O6 P 701.5583266 700.5511 SM(d34:2) 3.691 SM(d34:1)_feature1 C39 H79 N2 O6 P 703.5738766 702.5666 SM(d34:1) 4.269 SM(d34:0)_feature1 C39 H81 N2 O6 P 705.5885866 704.5813 SM(d34:0) 4.583 SM(d33:1)_feature1 C38 H77 N2 O6 P 689.5574866 688.5502 SM(d33:1) 3.911 SM(d32:1)_feature1 C37 H75 N2 O6 P 675.5424966 674.5352 SM(d32:1) 3.592 PS(40:7)_feature1 C46 H76 N O10 P 834.5257266 833.5185 PS(40:7) 3.902 PS(40:6)>PS(18:0_22:6)_feature1 C46 H78 N O10 P 836.6043666 835.5971 PS(18:0_22:6)_lp_a 4.467 PS(40:6)_feature2 C46 H78 N O10 P 836.5415966 835.5343 PS(18:0_22:6)_lp_b 4.063 PS(40:6)_feature3 C46 H78 N O10 P 836.5410166 835.5337 PS(40:6)_lp_c 4.604 PS(40:5)_feature3 C46 H80 N O10 P 838.5572266 837.55 PS(40:5)_lp_c 5.151 PS(40:5)_feature2 C46 H80 N O10 P 838.5572266 837.55 PS(40:5)_lp_b 4.86 PS(40:4)_feature1 C46 H82 N O10 P 840.6244466 839.6172 PS(40:4) 5.354 PS(38:4)>PS(18:0_20:4)_feature2 C44 H78 N O10 P 812.5412966 811.534 PS(18:0_20:4)_lp_b 4.83 PS(38:4)>PS(18:0_20:4)_feature4 C44 H78 N O10 P 812.5410666 811.5338 PS(18:0_20:4)_lp_d 5.192 PS(38:3)_feature3 C44 H80 N O10 P 814.5572266 813.55 PS(38:3)_lp_c 5.164 PS(38:3)_feature2 C44 H80 N O10 P 814.5575266 813.5503 PS(38:3)_lp_b 4.901 PS(36:2)_feature2 C42 H78 N O10 P 788.5426666 787.5354 PS(36:2)_lp_b 4.912 PS(36:2)_feature1 C42 H78 N O10 P 788.5424966 787.5352 PS(36:2)_lp_a 4.77 PS(36:1)_feature1 C42 H80 N O10 P 790.5339566 789.5267 PS(36:1) 5.583 PI(40:6)>PI(18:0_22:6)_feature2 C49 H83 O13 P 928.5882066 927.5809 PI(18:0_22:6)_lp_b 4.505 PI(40:5)>PI(18:0_22:5)_feature1 C49 H85 O13 P 913.5776466 912.5704 PI(18:0_22:5)_lp_a 4.764 PI(38:4)>PI(18:0_20:4)_feature2 C47 H83 O13 P 887.5621366 886.5549 PI(18:0_20:4)_lp_b 4.709 PI(38:3)>PI(18:0_20:3)_feature2 C47 H85 O13 P 889.5782266 888.571 PI(18:0_20:3)_lp_b 5.045 PI(34:2) C43 H79 O13 P 835.5305866 834.5233 PI(34:2) 4.026 PG(38:4)>PG(18:0_20:4)_feature3 C44 H79 O10 P 816.5753466 815.5681 PG(18:0_20:4)_lp_c 4.863 PE(O-40:8)>PE(O-18:2/22:6)_feature2 C45 H76 N O7 P 774.5414966 773.5342 PE(O-40:8)_lp_b 4.851 PE(O-40:7)>PE(O-18:2/22:5)_feature4 C45 H78 N O7 P 776.5567866 775.5495 PE(O-40:7)_lp_d 5.125 PE(O-40:7)>PE(O-18:1/22:6)_feature11 C45 H78 N O7 P 776.5577966 775.5505 PE(O-18:1/22:6)_lp_k 5.733 PE(O-40:7)>PE(O-18:1/22:6)_feature7 C45 H78 N O7 P 776.6054866 775.5982 PE(O-18:1/22:6)_lp_g 5.694 PE(O-40:6)>PE(O-18:2/22:4)_feature2 C45 H80 N O7 P 778.5733366 777.5661 PE(O-40:6)_lp_b 5.719 PE(O-40:6)>PE(O-18:1/22:5)_feature5 C45 H80 N O7 P 778.5733266 777.5661 PE(O-18:1/22:5)_lp_e 6.314 PE(O-40:6)>PE(O-18:1/22:5)_feature4 C45 H80 N O7 P 778.5733566 777.5661 PE(O-18:1/22:5)_lp_d 6.027 PE(O-40:5)>PE(O-18:1/22:4)_feature5 C45 H82 N O7 P 780.5893866 779.5821 PE(O-18:1/22:4)_lp_e 6.667 PE(O-40:5)>PE(O-18:1/22:4)_feature4 C45 H82 N O7 P 780.5893666 779.5821 PE(O-18:1/22:4)_lp_d 6.517 PE(O-40:4)_feature4 C45 H84 N O7 P 782.6049166 781.5976 PE(O-40:4)_lp_d 6.607 PE(O-38:7)>PE(O-16:1/22:6)_feature2 C43 H74 N O7 P 748.5262866 747.519 PE(O-16:1/22:6)_lp_b 4.806 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature4 C43 H76 N O7 P 750.5435866 749.5363 PE(O-38:6)_lp_d 5.387 PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_feature2 C43 H76 N O7 P 750.5436666 749.5364 PE(O-38:6)_lp_b 5.085 PE(O-38:5)>PE(O-18:1/20:4)_feature6 C43 H78 N O7 P 752.5581466 751.5509 PE(O-18:1/20:4)_lp_f 5.996 PE(O-38:5)>PE(O-16:1/22:4)_feature5 C43 H78 N O7 P 752.5582366 751.551 PE(O-16:1/22:4)_lp_e 5.687 PE(O-38:5)_feature3 C43 H78 N O7 P 752.5580666 751.5508 PE(O-38:5)_lp_c 5.242 PE(O-38:4)_feature3 C43 H80 N O7 P 754.5738666 753.5666 PE(O-38:4)_lp_c 5.854 PE(O-38:4)_feature4 C43 H80 N O7 P 754.5731066 753.5658 PE(O-38:4)_lp_d 6.172 PE(O-38:2)>PE(O-18:1/20:1)_feature4 C43 H84 N O7 P 758.6038366 757.5966 PE(O-38:2)_lp_d 6.921 PE(O-37:5)>PE(O-17:1/20:4)_feature1 C42 H76 N O7 P 738.5417466 737.5345 PE(O-17:1/20:4)_lp_a 5.339 PE(O-37:5)>PE(O-17:1/20:4)_feature2 C42 H76 N O7 P 738.5419066 737.5346 PE(O-17:1/20:4)_lp_b 5.514 PE(O-36:5)>PE(O-16:1/20:4)_feature3 C41 H74 N O7 P 724.5266066 723.5193 PE(O-16:1/20:4)_lp_c 5.041 PE(O-36:5)>PE(O-16:1/20:4)_feature2 C41 H74 N O7 P 724.5266666 723.5194 PE(O-16:1/20:4)_lp_b 4.884 PE(O-36:3)>PE(O-18:2/18:1)_feature4 C41 H78 N O7 P 728.5580766 727.5508 PE(O-18:2/18:1)_lp_d 5.984 PE(O-36:3)>PE(O-18:1/18:2)_feature6 C41 H78 N O7 P 728.5576366 727.5504 PE(O-18:1/18:2)_lp_f 6.167 PE(O-36:4)_feature1 C41 H76 N O7 P 726.5415366 725.5343 PE(O-36:4)_lp_a 5.255 PE(O-36:2)>PE(O-18:1/18:1)_feature2 C41 H80 N O7 P 730.5730966 729.5658 PE(O-18:1/18:1)_lp_b 6.643 PE(O-34:2)>PE(O-16:1/18:1)_and_PE(O-18:2/16:0)_feature1 C39 H76 N O7 P 702.5426566 701.5354 PE(O-34:2)_lp_a 5.939 PE(O-34:1)>PE(O-18:1/16:0)_feature2 C39 H78 N O7 P 704.5579866 703.5507 PE(O-18:1/16:0)_lp_b 6.619 PE(O-34:1)_feature1 C39 H78 N O7 P 704.5580466 703.5508 PE(O-34:1)_lp_a 6.052 PE(44:12)_feature1 C49 H74 N O8 P 836.5178566 835.5106 PE(44:12)_lp_a 3.972 PE(44:12)_feature2 C49 H74 N O8 P 836.5212866 835.514 PE(44:12)_lp_b 3.599 PE(44:10)_feature2 C49 H78 N O8 P 840.5514266 839.5442 PE(44:10)_lp_b 4.252 PE(44:10)_feature1 C49 H78 N O8 P 840.5514166 839.5441 PE(44:10)_lp_a 4.013 PE(42:8)>PE(20:4_22:4)_feature4 C47 H78 N O8 P 816.5493466 815.5421 PE(20:4_22:4) 5.6 PE(42:8)>PE(20:4_22:4)_feature2 C47 H78 N O8 P 816.5507066 815.5434 PE(20:4_22:4)_lp_b 4.452 PE(42:10)_feature3 C47 H74 N O8 P 812.5171666 811.5099 PE(42:10) 4.472 PE(42:10)_feature1 C47 H74 N O8 P 812.5211366 811.5139 PE(42:10)_lp_a 3.754 PE(40:8)_feature1 C45 H74 N O8 P 788.5210866 787.5138 PE(40:8) 3.898 PE(40:7)_feature3 C45 H76 N O8 P 790.5353466 789.5281 PE(40:7)_lp_c 4.462 PE(40:7)_feature1 C45 H76 N O8 P 790.5353366 789.5281 PE(40:7)_lp_a 4.097 PE(40:6)_feature1 C45 H78 N O8 P 792.5522666 791.545 PE(40:6)_lp_a 4.608 PE(40:6)_feature3 C45 H78 N O8 P 792.5525666 791.5453 PE(40:6)_lp_b 5.004 PE(40:6)_feature2 C45 H78 N O8 P 792.5525966 791.5453 PE(40:6)_lp_c 5.294 PE(40:5)_feature3 C45 H80 N O8 P 794.5667966 793.5595 PE(40:5)_lp_c 5.572 PE(40:5)_feature5 C45 H80 N O8 P 794.5684566 793.5612 PE(40:5)_lp_e 5.734 PE(40:5)_feature2 C45 H80 N O8 P 794.5670866 793.5598 PE(40:5)_lp_b 5.255 PE(40:5)_feature4 C45 H80 N O8 P 794.5677766 793.5605 PE(40:5)_lp_d 5.889 PE(40:5)_feature1 C45 H80 N O8 P 794.5665466 793.5593 PE(40:5)_lp_a 4.624 PE(40:4)>PE(18:0_22:4)_feature2 C45 H82 N O8 P 796.5824666 795.5752 PE(18:0_22:4)_lp_b 6.165 PE(40:4)>PE(18:0_22:4)_feature4 C45 H82 N O8 P 796.5824366 795.5752 PE(18:0_22:4)_lp_d 6.431 PE(40:4)>PE(18:0_22:4)_feature1 C45 H82 N O8 P 796.5839766 795.5767 PE(18:0_22:4)_lp_a 5.266 PE(38:6)_feature3 C43 H74 N O8 P 764.5211066 763.5138 PE(38:6)_lp_c 4.409 PE(38:6)_feature2 C43 H74 N O8 P 764.5210066 763.5137 PE(38:6)_lp_b 4.067 PE(38:6)_feature1 C43 H74 N O8 P 764.5196666 763.5124 PE(38:6)_lp_a 4.829 PE(38:5)>PE(18:1_20:4)_feature3 C43 H76 N O8 P 766.5365166 765.5292 PE(18:1_20:4)_lp_c 4.675 PE(38:5)_feature5 C43 H76 N O8 P 766.5379166 765.5306 PE(38:5)_lp_e 4.941 PE(38:5)_feature2 C43 H76 N O8 P 766.5365966 765.5293 PE(38:5)_lp_b 4.416 PE(38:5)_feature1 C43 H76 N O8 P 766.5341066 765.5268 PE(38:5)_lp_a 5.71 PE(38:4)>PE(18:0_20:4)_feature5 C43 H78 N O8 P 768.5532566 767.546 PE(18:0_20:4)_lp_e 5.543 PE(38:4)>PE(18:0_20:4)_feature8 C43 H78 N O8 P 768.5532266 767.546 PE(18:0_20:4)_lp_h 6.372 PE(38:3)>PE(18:0_20:3)_feature3 C43 H80 N O8 P 770.5691866 769.5619 PE(18:0_20:3)_lp_c 5.919 PE(38:3)>PE(18:0_20:3)_feature4 C43 H80 N O8 P 770.5689766 769.5617 PE(18:0_20:3)_lp_d 6.2 PE(38:3)>PE(18:0_20:3)_feature2 C43 H80 N O8 P 770.5689866 769.5617 PE(18:0_20:3)_lp_b 5.669 PE(36:5)_feature2 C41 H72 N O8 P 738.5052566 737.498 PE(36:5)_lp_b 3.929 PE(36:5)_feature3 C41 H72 N O8 P 738.5051966 737.4979 PE(36:5)_lp_c 4.121 PE(36:5)_feature1 C41 H72 N O8 P 738.5052466 737.498 PE(36:5)_lp_a 3.738 PE(36:5)_feature5 C41 H72 N O8 P 738.5031466 737.4959 PE(36:5)_lp_e 4.759 PE(36:4)>PE(16:0_20:4)_feature1 C41 H74 N O8 P 740.5213166 739.514 PE(16:0_20:4)_lp_a 4.195 PE(36:4)>PE(16:0_20:4)_feature3 C41 H74 N O8 P 740.5212766 739.514 PE(16:0_20:4)_lp_c 4.619 PE(36:4)>PE(16:0_20:4)_feature5 C41 H74 N O8 P 740.5183566 739.5111 PE(16:0_20:4)_lp_e 5.44 PE(36:3)_feature1 C41 H76 N O8 P 742.5374766 741.5302 PE(36:3)_lp_a 4.817 PE(36:2)>PE(18:2_18:0)_feature2 C41 H78 N O8 P 744.5534966 743.5462 PE(36:2)_lp_b 5.506 PE(36:2)>PE(18:2_18:0)_feature3 C41 H78 N O8 P 744.5534066 743.5461 PE(36:2)_lp_c 5.69 PE(36:1)_feature3 C41 H80 N O8 P 746.5692866 745.562 PE(36:1)_lp_c 6.361 PE(34:2)_feature2 C39 H74 N O8 P 716.5212466 715.514 PE(34:2)_lp_b 4.767 PE(34:1)_feature1 C39 H76 N O8 P 718.5365666 717.5293 PE(34:1)_lp_a 5.449 PC(O-40:7)_feature2 C48 H84 N O7 P 818.6121566 817.6049 PC(O-40:7)_lp_b 7.208 PC(O-40:7)_feature3 C48 H84 N O7 P 818.6043866 817.5971 PC(O-40:7)_lp_c 5.479 PC(O-40:7)_feature1 C48 H84 N O7 P 818.6033666 817.5961 PC(O-40:7)_lp_a 4.779 PC(O-40:6)_feature5 C48 H86 N O7 P 820.6198566 819.6126 PC(O-40:6)_lp_e 5.719 PC(O-40:6)_feature1 C48 H86 N O7 P 820.6196266 819.6124 PC(O-40:6)_lp_a 5.043 PC(O-40:4)_feature1 C48 H90 N O7 P 824.6511866 823.6439 PC(O-40:4)_lp_a 6.345 PC(O-38:7)_feature2 C46 H80 N O7 P 790.5729966 789.5657 PC(O-38:7)_lp_b 6.02 PC(O-38:7)_feature1 C46 H80 N O7 P 790.5729266 789.5657 PC(O-38:7)_lp_a 4.232 PC(O-38:6)_feature3 C46 H82 N O7 P 792.5880366 791.5808 PC(O-38:6)_lp_c 4.841 PC(O-38:6)_feature1 C46 H82 N O7 P 792.5881666 791.5809 PC(O-38:6)_lp_a 4.326 PC(O-38:6)_feature2 C46 H82 N O7 P 792.5885666 791.5813 PC(O-38:6)_lp_b 5.153 PC(O-38:5)_feature3 C46 H84 N O7 P 794.6044666 793.5972 PC(O-38:5)_lp_c 5.735 PC(O-38:5)_feature2 C46 H84 N O7 P 794.6045666 793.5973 PC(O-38:5)_lp_b 5.407 PC(O-38:5)_feature1 C46 H84 N O7 P 794.6044966 793.5972 PC(O-38:5)_lp_a 4.995 PC(O-38:4)_feature5 C46 H86 N O7 P 796.5830166 795.5757 PC(O-38:4)_lp_e 5.733 PC(O-38:4)_feature6 C46 H86 N O7 P 796.6195666 795.6123 PC(O-38:4)_lp_f 5.959 PC(O-38:4)_feature4 C46 H86 N O7 P 796.6192266 795.612 PC(O-38:4)_lp_d 5.604 PC(O-36:5)_feature5 C44 H80 N O7 P 766.5723666 765.5651 PC(O-36:5)_lp_e 4.807 PC(O-36:4)_feature3 C45 H78 N5 O3 P 768.5532166 767.5459 PC(O-36:4)_lp_c 4.895 PC(O-36:4)_feature4 C44 H82 N O7 P 768.5890466 767.5818 PC(O-36:4)_lp_d 4.988 PC(O-36:3)_feature1 C44 H84 N O7 P 770.6028766 769.5956 PC(O-36:3)_lp_a 5.132 PC(O-36:2)_feature2 C44 H86 N O7 P 772.6203666 771.6131 PC(O-36:2)_lp_b 6.067 PC(O-36:2)_feature1 C44 H86 N O7 P 772.6203866 771.6131 PC(O-36:2)_lp_a 5.879 PC(O-36:1)_feature3 C44 H88 N O7 P 774.6360866 773.6288 PC(O-36:1)_lp_c 6.623 PC(O-34:2)_feature1 C42 H82 N O7 P 744.5881966 743.5809 PC(O-34:2)_lp_a 5.102 PC(O-34:0)_feature1 C42 H86 N O7 P 748.6208066 747.6135 PC(O-34:0) 6.601 PC(O-33:0)_feature4 C41 H84 N O7 P 734.6043566 733.5971 PC(O-33:0)_lp_d 6.25 PC(O-32:1)_feature1 C40 H80 N O7 P 718.5735166 717.5662 PC(O-32:1)_lp_a 4.907 PC(O-32:1)_feature2 C40 H80 N O7 P 718.5734066 717.5661 PC(O-32:1)_lp_b 5.623 PC(O-32:0)_feature1 C40 H82 N O7 P 720.5893866 719.5821 PC(O-32:0) 5.763 PC(O-30:0)_feature1 C38 H78 N O7 P 692.5573566 691.5501 PC(O-30:0) 4.841 PC(44:5)_feature2 C52 H94 N O8 P 892.6771466 891.6699 PC(44:5)_lp_b 6.723 PC(42:9)_feature2 C50 H82 N O8 P 856.5827966 855.5755 PC(42:9)_lp_b 3.88 PC(42:9)_feature3 C50 H82 N O8 P 856.5827466 855.5755 PC(42:9)_lp_c 4.021 PC(42:8)_feature2 C50 H84 N O8 P 858.5983866 857.5911 PC(42:8)_lp_b 4.265 PC(42:7)_feature4 C50 H86 N O8 P 860.6142166 859.6069 PC(42:7)_lp_d 5.049 PC(42:6)_feature3 C50 H88 N O8 P 862.6302166 861.6229 PC(42:6)_lp_c 5.617 PC(42:5)_feature6 C50 H90 N O8 P 864.6453966 863.6381 PC(42:5)_lp_f 6.196 PC(42:4)_feature2 C50 H92 N O8 P 866.6620266 865.6548 PC(42:4)_lp_b 6.54 PC(42:1)_feature2 C50 H98 N O8 P 872.7092566 871.702 PC(42:1)_lp_b 7.366 PC(41:3)_feature1 C50 H80 N O8 P 854.5680966 853.5608 PC(41:3) 3.61 PC(40:8)_feature1 C48 H80 N O8 P 830.5683966 829.5611 PC(40:8) 3.753 PC(40:7)_feature3 C48 H82 N O8 P 832.5814266 831.5742 PC(40:7)_lp_c 4.263 PC(40:7)_feature1 C48 H82 N O8 P 832.5816666 831.5744 PC(40:7)_lp_a 3.941 PC(40:6)_feature3 C48 H84 N O8 P 834.5995466 833.5923 PC(40:6)_lp_c 5.066 PC(40:5)_feature4 C48 H86 N O8 P 836.6136366 835.6064 PC(40:5)_lp_d 5.666 PC(40:5)_feature3 C48 H86 N O8 P 836.6136866 835.6064 PC(40:5)_lp_c 5.338 PC(40:5)_feature1 C48 H86 N O8 P 836.6142566 835.607 PC(40:5)_lp_a 4.923 PC(40:4)_feature2 C48 H88 N O8 P 838.6310066 837.6237 PC(40:4)_lp_b 5.968 PC(40:4)_feature1 C48 H88 N O8 P 838.6309766 837.6237 PC(40:4)_lp_a 5.724 PC(40:2)_feature1 C48 H92 N O8 P 842.6614066 841.6541 PC(40:2)_lp_a 6.707 PC(40:1)_feature1 C48 H94 N O8 P 844.6773166 843.67 PC(40:1) 7.016 PC(40:0)_feature1 C48 H96 N O8 P 846.6936566 845.6864 PC(40:0) 7.359 PC(39:6)_feature2 C47 H82 N O8 P 820.5838066 819.5765 PC(39:6)_lp_b 4.482 PC(39:6)_feature3 C47 H82 N O8 P 820.5824266 819.5752 PC(39:6)_lp_c 4.632 PC(39:6)_feature4 C47 H82 N O8 P 820.5817066 819.5744 PC(39:6)_lp_d 5.002 PC(39:5)_feature7 C47 H84 N O8 P 822.5973966 821.5901 PC(39:5)_lp_g 5.955 PC(39:5)_feature6 C47 H84 N O8 P 822.5971466 821.5899 PC(39:5)_lp_f 5.757 PC(39:5)_feature1 C47 H84 N O8 P 822.5991966 821.5919 PC(39:5)_lp_a 4.187 PC(39:5)_feature2 C47 H84 N O8 P 822.5987266 821.5915 PC(39:5)_lp_b 4.866 PC(39:4)_feature4 C47 H86 N O8 P 824.6143666 823.6071 PC(39:4)_lp_d 5.59 PC(39:3)_feature1 C47 H88 N O8 P 826.5701166 825.5628 PC(39:3)_lp_a 6.172 PC(38:7)_feature1 C46 H78 N O8 P 804.5509666 803.5437 PC(38:7)_lp_a 3.517 PC(38:7)_feature2 C46 H78 N O8 P 804.5483966 803.5411 PC(38:7)_lp_b 3.52 PC(38:6)_feature1 C46 H80 N O8 P 806.5682266 805.561 PC(38:6)_lp_a 3.907 PC(38:6)_feature2 C46 H80 N O8 P 806.5683566 805.5611 PC(38:6)_lp_b 4.226 PC(38:5)_feature5 C46 H82 N O8 P 808.5826366 807.5754 PC(38:5)_lp_e 4.751 PC(38:5)_feature3 C46 H82 N O8 P 808.5826966 807.5754 PC(38:5)_lp_c 4.464 PC(38:4)_feature4 C46 H84 N O8 P 810.5996966 809.5924 PC(38:4)_lp_d 5.3 PC(38:3)_feature2 C46 H86 N O8 P 812.6152666 811.608 PC(38:3)_lp_b 5.429 PC(38:3)_feature3 C46 H86 N O8 P 812.6152966 811.608 PC(38:3)_lp_c 5.692 PC(38:2)_feature5 C46 H88 N O8 P 814.6303866 813.6231 PC(38:2)_lp_e 6.269 PC(38:1)_feature1 C46 H90 N O8 P 816.6458866 815.6386 PC(38:1) 6.7 PC(38:0)_feature1 C46 H92 N O8 P 818.6613066 817.654 PC(38:0) 7.015 PC(37:6)_feature1 C45 H78 N O8 P 1584.096637 1583.0894 PC(37:6)_lp_a 3.884 PC(37:4)_feature2 C45 H82 N O8 P 796.5830666 795.5758 PC(37:4)_lp_b 4.691 PC(37:4)_feature3 C45 H82 N O8 P 796.5829866 795.5757 PC(37:4)_lp_c 4.844 PC(37:3)_feature1 C45 H84 N O8 P 798.5991066 797.5918 PC(37:3)_lp_a 5.016 PC(37:2)_feature1 C45 H86 N O8 P 800.6152066 799.6079 PC(37:2)_lp_a 5.733 PC(37:2)_feature2 C45 H86 N O8 P 800.6151766 799.6079 PC(37:2)_lp_b 5.967 PC(37:1)_feature2 C45 H88 N O8 P 802.6308666 801.6236 PC(37:1)_lp_b 6.396 PC(37:1)_feature3 C45 H88 N O8 P 802.6308166 801.6235 PC(37:1)_lp_c 6.533 PC(36:5)_feature1 C44 H78 N O8 P 780.5502666 779.543 PC(36:5)_lp_a 3.603 PC(36:5)_feature3 C44 H78 N O8 P 780.5511566 779.5439 PC(36:5)_lp_c 3.957 PC(36:5)_feature2 C44 H78 N O8 P 780.5505466 779.5433 PC(36:5)_lp_b 3.778 PC(36:4)_feature2 C44 H80 N O8 P 782.5680666 781.5608 PC(36:4)_lp_b 4.022 PC(36:4)_feature3 C44 H80 N O8 P 782.5682266 781.561 PC(36:4)_lp_c 4.417 PC(36:3)_feature3 C44 H82 N O8 P 784.5830466 783.5758 PC(36:3)_lp_c 4.772 PC(36:3)_feature1 C44 H82 N O8 P 784.5837066 783.5764 PC(36:3)_lp_a 3.935 PC(36:3)_feature2 C44 H82 N O8 P 784.5830366 783.5758 PC(36:3)_lp_b 4.603 PC(36:2)_feature2 C44 H84 N O8 P 786.6001066 785.5928 PC(36:2)_lp_b 5.451 PC(36:2)_feature3 C44 H84 N O8 P 786.5997966 785.5925 PC(36:2)_lp_c 6.163 PC(36:1)_feature1 C44 H86 N O8 P 788.6158266 787.6086 PC(36:1)_lp_a 6.167 PC(36:0)_feature2 C44 H88 N O8 P 790.6305266 789.6233 PC(36:0)_lp_b 6.707 PC(35:4)_feature3 C43 H78 N O8 P 768.5537266 767.5465 PC(35:4)_lp_c 5.033 PC(35:4)_feature2 C43 H78 N O8 P 768.5525166 767.5452 PC(35:4)_lp_b 4.045 PC(35:3)_feature1 C43 H80 N O8 P 770.5676866 769.5604 PC(35:3)_lp_a 4.238 PC(35:2)_feature1 C43 H82 N O8 P 772.5839866 771.5767 PC(35:2)_lp_a 4.835 PC(35:2)_feature2 C43 H82 N O8 P 772.5839166 771.5766 PC(35:2)_lp_b 5.003 PC(35:1)_feature1 C43 H84 N O8 P 774.5992766 773.592 PC(35:1)_lp_a 5.697 PC(35:0)_feature1 C43 H86 N O8 P 776.6162966 775.609 PC(35:0)_lp_a 5.547 PC(35:0)_feature3 C43 H86 N O8 P 776.6152966 775.608 PC(35:0)_lp_c 6.507 PC(35:0)_feature2 C43 H86 N O8 P 776.6152466 775.608 PC(35:0)_lp_b 6.359 PC(34:4)_feature2 C42 H76 N O8 P 754.5357566 753.5285 PC(34:4)_lp_b 3.719 PC(34:3)_feature1 C42 H78 N O8 P 756.5522366 755.545 PC(34:3)_lp_a 3.899 PC(34:3)_feature3 C42 H78 N O8 P 756.5521866 755.5449 PC(34:3)_lp_c 4.171 PC(34:3)_feature2 C42 H78 N O8 P 756.5521166 755.5448 PC(34:3)_lp_b 4.052 PC(34:2)_feature1 C42 H80 N O8 P 758.5683566 757.5611 PC(34:2)_lp_a 4.543 PC(34:1)_feature2 C42 H82 N O8 P 760.5842766 759.577 PC(34:1)_lp_b 5.208 PC(34:0)_feature4 C42 H84 N O8 P 762.5999266 761.5927 PC(34:0)_lp_c 6.11 PC(33:2)_feature1 C41 H78 N O8 P 744.5524366 743.5452 PC(33:2)_lp_a 4.18 PC(33:1)_feature1 C41 H80 N O8 P 746.5682766 745.561 PC(33:1)_lp_a 4.791 PC(33:0)_feature3 C41 H82 N O8 P 748.5840366 747.5768 PC(33:0)_lp_c 5.618 PC(32:2)_feature1 C40 H76 N O8 P 730.5371366 729.5299 PC(32:2)_lp_a 3.82 PC(32:1)_feature2 C40 H78 N O8 P 732.5545866 731.5473 PC(32:1)_lp_b 4.878 PC(32:1)_feature1 C40 H78 N O8 P 732.5520966 731.5448 PC(32:1)_lp_a 4.385 PC(32:0)_feature2 C40 H80 N O8 P 734.5686166 733.5613 PC(32:0)_lp_b 5.135 PC(32:0)_feature1 C40 H80 N O8 P 734.5678166 733.5605 PC(32:0)_lp_a 4.307 PC(31:0)_feature2 C39 H78 N O8 P 720.5521766 719.5449 PC(31:0)_lp_b 4.696 PC(30:0)_feature1 C38 H76 N O8 P 706.5363566 705.5291 PC(30:0)_lp_a 4.294 PA(34:1)_M+NH3_feature2 C37 H74 N O8 P 692.5210666 691.5138 PA(34:1)_lp_b 5.37 LPE(O-18:2)_feature1 C23 H46 N O6 P 464.3125466 463.3053 LPE(O-18:2) 2.26 LPE(18:1)>LPE(18:1/0:0)_and_LPE(0:0/18:1)_feature1and2 C23 H46 N O7 P 480.3077366 479.3005 LPE(18:1)_lp_ab 2.143 LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2 C23 H48 N O7 P 482.3231566 481.3159 LPE(18:0)_lp_ab 2.398 LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_feature1and2 C21 H44 N O7 P 454.2918966 453.2846 LPE(16:0)_lp_ab 2.08 LPC(22:6)>LPC(22:6/0:0)_and_LPC(0:0/22:6)_feature1and2 C30 H50 N O7 P 568.3385166 567.3312 LPC(22:6)_lp_ab 1.674 LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_feature1and2 C28 H50 N O7 P 544.3385966 543.3313 LPC(20:4)_lp_ab 1.725 LPC(20:1)>LPC(20:1/0:0)_and_LPC(0:0/20:1)_feature1and2 C28 H56 N O7 P 550.3854966 549.3782 LPC(20:1)_lp_ab 2.381 LPC(20:0)>LPC(20:0/0:0)_and_LPC(0:0/20:0)_feature1and2 C28 H58 N O7 P 552.4013166 551.394 LPC(20:0)_lp_ab 2.713 LPC(19:0)>LPC(19:0/0:0)_and_LPC(0:0/19:0)_feature1and2 C27 H56 N O7 P 538.3858966 537.3786 LPC(19:0)_lp_ab 2.514 LPC(18:2)>LPC(18:2/0:0)_and_LPC(0:0/18:2)_feature1and2 C26 H50 N O7 P 520.3385366 519.3313 LPC(18:2)_lp_ab 1.757 LPC(18:1)>LPC(18:1/0:0)_and_LPC(0:0/18:1)_feature1and2 C26 H52 N O7 P 522.3547666 521.3475 LPC(18:1)_lp_ab 2.095 LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_feature1and2 C26 H54 N O7 P 524.3702866 523.363 LPC(18:0)_lp_ab 2.364 LPC(17:0)>LPC(17:0/0:0)_and_LPC(0:0/17:0)_feature1and2 C25 H52 N O7 P 510.3548866 509.3476 LPC(17:0)_lp_ab 2.215 LPC(16:1)>LPC(16:1/0:0)_and_LPC(0:0/16:1)_feature1and2 C24 H48 N O7 P 494.3230666 493.3158 LPC(16:1)_lp_ab 1.69 LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2 C24 H50 N O7 P 496.3390366 495.3318 LPC(16:0)_lp_ab 2.043 LPC(15:0)>LPC(15:0/0:0)_and_LPC(0:0/15:0)_feature1and2 C23 H48 N O7 P 482.3228266 481.3156 LPC(15:0)_lp_ab 1.816 HexCer(d42:2)>HexCer(d18:1/24:1)_feature3 C48 H91 N O8 810.6800366 809.6728 HexCer(d18:1/24:1)_lp_c 6.75 HexCer(d42:1-OH)>HexCer(d18:1/24:0-OH)_feature3 C48 H93 N O9 828.6908266 827.6836 HexCer(d18:1/24:0(OH))_lp_c 6.984 HexCer(d40:2)>HexCer(d18:1/22:1)_feature3 C46 H87 N O8 782.6489166 781.6416 HexCer(d18:1/22:1)_lp_c 6.703 HexCer(d40:1)>HexCer(d18:1_22:0)_feature3 C46 H89 N O8 784.6646766 783.6574 HexCer(d18:1/22:0)_lp_c 6.786 HexCer(d40:1)>HexCer(d18:1/22:0)_feature2 C46 H89 N O8 784.6127966 783.6055 HexCer(d18:1/22:0)_lp_b 6.83 HexCer(d34:1)>HexCer(d18:1/16:0)_feature1 C40 H77 N O8 700.5702366 699.563 HexCer(d34:1) 4.504 erucamide_feature1 C22 H43 N O 338.3409966 337.3337 13-Docosenamide 3.2 DG(40:6)>DG(18:0_22:6_0:0)_M+NH3_feature6 C43 H75 N O5 686.5708866 685.5636 DG(40:6)_lp_f 6.578 DG(40:4)>DG(18:0_22:4_0:0)_feature3 C43 H76 O5 673.5749366 672.5677 DG(18:0_22:4)_lp_c 6.898 DG(38:6)>DG(18:2_20:4_0:0)_feature1 C41 H68 O5 641.5128366 640.5056 DG(18:2_20:4)_lp_a 5.299 DG(38:5)>DG(18:1_20:4_0:0)_feature2 C41 H70 O5 643.5286766 642.5214 DG(18:1_20:4)_lp_b 6.07 DG(38:4)>DG(18:0_20:4_0:0)_feature6 C41 H72 O5 645.5438966 644.5366 DG(18:0_20:4)_lp_f 6.695 DG(38:4)>DG(16:0_22:4_0:0)_feature4 C41 H72 O5 645.5438366 644.5366 DG(38:4)_lp_d 6.555 DG(38:4)>DG(16:0_22:4_0:0)_feature2 C41 H72 O5 645.5439066 644.5366 DG(38:4)_lp_b 6.377 DG(38:3)>DG(18:2_20:1_0:0)_M+NH3_feature2 C41 H77 N O5 647.5595866 646.5523 DG(18:2_20:1)_lp_b 6.752 DG(36:5)>DG(18:2_18:3_0:0)_M+NH3_feature1 C39 H69 N O5 615.4972966 614.49 DG(18:2_18:3)_lp_a 4.895 DG(36:4)>DG(16:0_20:4_0:0)_M+NH3_feature2 C39 H71 N O5 634.5392366 633.532 DG(16:0_20:4)_lp_b 6.037 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature2 C39 H73 N O5 636.5550866 635.5478 DG(18:1_18:2)_lp_b 5.618 DG(36:3)>DG(18:1_18:2_0:0)_M+NH3_feature3 C39 H73 N O5 636.5557266 635.5485 DG(18:1_18:2)_lp_c 6.268 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature2 C39 H75 N O5 638.5709166 637.5636 DG(18:1_18:1)_lp_b 6.246 DG(36:2)>DG(18:0_18:2_0:0)_M+NH3_feature4 C39 H75 N O5 638.5709466 637.5637 DG(18:0_18:2)_lp_d 6.771 DG(36:1)>DG(18:0_18:1_0:0)_M+NH3_feature1 C39 H77 N O5 640.5867566 639.5795 DG(18:0_18:1)_lp_a 6.693 DG(35:4)_feature1 C39 H68 O5 617.5128266 616.5056 DG(35:4) 6.035 DG(34:0)>DG(16:0_18:0_0:0)_feature2 C37 H72 O5 597.5444166 596.5371 DG(34:0)_lp_b 6.991 DG(32:1)>DG(16:0_16:1_0:0)_feature1 C35 H66 O5 567.4976266 566.4904 DG(16:0_16:1) 6.053 DG(32:0)>DG(16:0_16:0_0:0)_feature2 C35 H68 O5 569.5129866 568.5057 DG(16:0_16:0)_lp_b 6.68 Coenzyme Q9_feature1 C54 H82 O4 795.6278566 794.6206 Coenzyme Q9 7.534 coenzyme(Q8)_feature1 C49 H74 O4 744.5915666 743.5843 Coenzyme(Q8) 7.062 cholesterol_M-H2O_feature1 C27 H44 369.3506466 368.3434 Cholesterol 4.856 Cer(m34:2)>Cer(m18:1/16:1)_feature1 C34 H65 N O2 520.5076866 519.5004 Cer(m18:1/16:1)_lp_a 5.231 Cer(d44:2)>Cer(d18:1/26:1)_feature1 C44 H85 N O3 676.6596166 675.6523 Cer(d18:1/26:1)_lp_a 7.336 Cer(d43:2)>Cer(d18:1/25:1)_feature1and2 C43 H83 N O3 662.6433466 661.6361 Cer(d18:1/25:1)_lp_ab 7.209 Cer(d43:1)>Cer(d18:1/25:0)_feature2 C43 H85 N O3 664.6590766 663.6518 Cer(d18:1/25:0)_lp_b 7.481 Cer(d42:3)_feature2 C42 H79 N O3 646.6119666 645.6047 Cer(d42:3)_lp_b 6.782 Cer(d42:2)>Cer(d18:2/24:0)_feature4 C42 H81 N O3 648.6277566 647.6205 Cer(d18:2/24:0)_lp_d 7.126 Cer(d42:2)>Cer(d18:1/24:1)_feature_3 C42 H81 N O3 648.6277966 647.6205 Cer(d18:1/24:1)_lp_c 7.024 Cer(d42:1)>Cer(d18:1/24:0)_feature3 C42 H83 N O3 650.6436266 649.6364 Cer(d18:1/24:0)_lp_c 7.386 Cer(d41:2)>Cer(d18:2/23:0)_feature2 C41 H79 N O3 634.6124366 633.6052 Cer(d18:2/23:0)_lp_b 6.972 Cer(d41:1)>Cer(d18:1/23:0)_feature1 C41 H81 N O3 636.6277566 635.6205 Cer(d18:1/23:0) 7.219 Cer(d40:2)>Cer(d18:2/22:0)_feature2 C40 H77 N O3 620.5967966 619.5895 Cer(d18:2/22:0)_lp_b 6.82 Cer(d36:1)>Cer(d18:1/18:0)_M-H2O_feature1 C36 H69 N O2 548.5392366 547.532 Cer(d18:1/18:0) 6.222 Cer(d34:1)>Cer(d18:1/16:0)_feature1 C34 H67 N O3 538.5181766 537.5109 Cer(d18:1/16:0) 5.239 Cer(d34:0)>Cer(d18:0/16:0)_feature1 C34 H69 N O3 540.5339766 539.5267 Cer(d18:0/16:0) 5.585 carnitine_feature1 C7 H15 N O3 162.1120766 161.1048 Carnitine 0.77 Car(8:0)_feature1 C15 H29 N O4 288.2160866 287.2088 CAR(8:0) 0.833 Car(6:0)_feature1 C13 H25 N O4 260.1849166 259.1776 CAR(6:0) 0.801 Car(4:0-OH)_feature1 C11 H21 N O5 248.1485666 247.1413 CAR(4:0(OH)) 0.738 Car(4:0)_feature1 C11 H21 N O4 232.1537166 231.1464 CAR(4:0) 0.767 Car(3:0)_feature1 C10 H19 N O4 218.1381266 217.1309 CAR(3:0) 0.768 Car(22:4)_feature1 C29 H49 N O4 476.3725466 475.3653 CAR(22:4) 2.024 Car(21:2)_feature1 C28 H51 N O4 466.3284066 465.3211 CAR(21:2) 2.535 Car(20:4)_feature1 C27 H45 N O4 448.3408866 447.3336 CAR(20:4) 1.737 Car(20:2)_feature1 C27 H49 N O4 452.3725166 451.3652 CAR(20:2)_lp_a 2.103 Car(20:1)_feature1 C27 H51 N O4 454.3878866 453.3806 CAR(20:1) 2.298 Car(2:0)_feature1 C9 H17 N O4 204.1225866 203.1153 CAR(2:0) 0.763 Car(18:2)_feature1 C25 H45 N O4 424.3408666 423.3336 CAR(18:2)_lp_a 1.761 Car(18:1-OH)_feature1 C25 H47 N O5 442.3516366 441.3444 CAR(18:1(OH)) 1.716 Car(18:1)_feature1 C25 H47 N O4 426.3568266 425.3496 CAR(18:1)_lp_a 2.035 Car(18:0-OH)_feature1 C25 H49 N O5 444.3674166 443.3601 CAR(18:0(OH)) 2.034 Car(18:0)_feature1 C25 H49 N O4 428.3724166 427.3651 CAR(18:0) 2.274 Car(16:2-OH)_feature1 C23 H41 N O5 412.3051166 411.2978 CAR(16:2(OH)) 1.118 Car(16:2)_feature1 C23 H41 N O4 396.3099766 395.3027 CAR(16:2)_lp_a 1.389 Car(16:1)_feature1 C23 H43 N O4 398.3254866 397.3182 CAR(16:1)_lp_a 1.654 Car(16:1)_feature2 C23 H43 N O4 398.3255766 397.3183 CAR(16:1)_lp_b 1.859 Car(16:0-OH)_feature1 C23 H45 N O5 416.3360066 415.3287 CAR(16:0(OH)) 1.59 Car(16:0)_feature1 C23 H45 N O4 400.3412166 399.3339 CAR(16:0) 1.962 Car(14:2)_feature1 C21 H37 N O4 368.2786766 367.2714 CAR(14:2) 1.096 Car(14:1-OH)_feature1 C21 H39 N O5 386.2891266 385.2819 CAR(14:1(OH)) 1.045 Car(14:1)_feature1 C21 H39 N O4 370.2944566 369.2872 CAR(14:1) 1.281 Car(14:0-OH)_feature1 C21 H41 N O5 388.3047866 387.2975 CAR(14:0(OH)) 1.157 Car(14:0)_feature1 C21 H41 N O4 372.3098766 371.3026 CAR(14:0) 1.523 Car(12:1)_feature1 C19 H35 N O4 342.2630966 341.2558 CAR(12:1) 1.014 Car(12:0)_feature2 C19 H37 N O4 344.2786566 343.2714 CAR(12:0)_lp_b 1.118 Car(10:1)_feature1 C17 H31 N O4 314.2316366 313.2244 CAR(10:1) 0.875 Car(10:0)_feature1 C17 H33 N O4 316.2475166 315.2402 CAR(10:0) 0.924 adenosine_feature1 C10 H13 N5 O4 268.1032466 267.096 Adenosine 0.701 3-(1-pyrazolyl)-alanine_feature1 C6 H9 N3 O2 156.0765166 155.0692 3-(1-pyrazolyl)-alanine 0.868 METABOLITES_END #END